Gaussian 16 GINC-ART ANDREA NEW-compound opt 6-31G** ES64L-G16RevA.03 31-May-2019 Gaussian 16 25-Dec-2016 ES64L-G16RevA.03 14 14 (6D, 7F) 6-31G(d,p) RB3LYP 6-31G(d,p) FOpt #N B3LYP/6-31G(d,p) SCF(Conver=8) SCRF=(PCM,Solvent=Water) Opt(Tight)NoSymm Int=UltraFine Freq=NoRaman SCF=XQC Test 131.003461 -1 1 AuxInfo=1/0/N:6;7;8;2;3;4;5;1;9;10;11;12;13;14/rA:14nP0O0O0O0O0C0C0C0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;/rC:-1.6693,-.0071,-.1869;-4.2046,-.7144,-.3864;-.8376,.9702,.7488;-1.1941,.2675,-1.6799;-1.3668,-1.4021,.1568;-3.3344,.3806,-.0668;-4.2916,-.2064,.954;-3.862,-1.1968,2.0553;-1.0512,-.5688,-2.1291;-3.2522,1.427,-.3607;-5.0415,.2573,1.595;-4.0007,-2.2178,1.6998;-2.8117,-1.0363,2.2986;-4.4699,-1.0363,2.9456; g16 Output=mol.log NProcShared=16 Mem=8Gb Chk=mol #N B3LYP/6-31G(d,p) SCF(Conver=8) SCRF=(PCM,Solvent=Water) Opt(Tight) 1/7=10,18=20,19=15,26=6,38=1/1,3 2/9=110,12=2,15=1,17=6,18=5,40=1/2 3/5=1,6=6,7=101,11=2,25=1,30=1,70=2201,71=1,72=1,74=-5,75=-5/1,2,3 4//1 5/5=2,6=8,8=3,13=1,38=5,53=1/2,8 6/7=2,8=2,9=2,10=2,28=1/1 7/30=1/1,2,3,16 1/7=10,18=20,19=15,26=6/3(2) 2/9=110,15=1/2 99//99 2/9=110,15=1/2 3/5=1,6=6,7=101,11=2,25=1,30=1,70=2205,71=1,72=1,74=-5,75=-5/1,2,3 4/5=5,16=3,69=1/1 5/5=2,6=8,8=3,13=1,38=5,53=1/2,8 7/30=1/1,2,3,16 1/7=10,18=20,19=15,26=6/3(-5) 2/9=110,15=1/2 6/7=2,8=2,9=2,10=2,19=2,28=1/1 99/9=1/99 NEW-compound opt 6-31G** Berny optimization. R1 R2 R3 R4 R5 R6 R7 R8 R9 R10 R11 R12 R13 R14 1 1 1 1 2 2 4 6 6 7 7 8 8 8 3 4 5 6 6 7 9 7 10 8 11 12 13 14 1.5882 1.5906 1.4681 1.7138 1.4347 1.4361 0.96 1.5176 1.09 1.5422 1.09 1.09 1.09 1.09 estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|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 3 3 3 4 4 5 1 1 1 1 2 7 2 2 6 6 8 7 7 7 12 12 13 1 1 1 1 1 1 4 6 6 6 6 6 7 7 7 7 7 8 8 8 8 8 8 4 5 6 5 6 6 9 2 7 10 10 10 8 11 8 11 11 12 13 14 13 14 14 106.8782 109.8073 109.1613 108.7983 108.479 113.4963 109.4714 113.6425 124.925 97.1859 135.9182 126.8818 114.9871 137.8228 123.5731 131.6812 92.5764 109.4712 109.4709 109.4712 109.4711 109.4717 109.4713 estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|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 3 5 6 3 3 3 4 4 4 5 5 5 1 1 10 10 2 2 2 6 6 6 11 11 11 1 1 1 1 1 1 1 1 1 1 1 1 6 6 6 6 7 7 7 7 7 7 7 7 7 4 4 4 6 6 6 6 6 6 6 6 6 7 7 7 7 8 8 8 8 8 8 8 8 8 9 9 9 2 7 10 2 7 10 2 7 10 8 11 8 11 12 13 14 12 13 14 12 13 14 134.9144 16.4024 -107.5018 -155.4162 -88.8216 56.8509 88.4671 155.0617 -59.2657 -32.5809 34.0137 179.6862 2.4178 133.9623 -133.1973 -1.6528 -25.8873 94.1123 -145.8879 -92.8354 27.1642 147.164 121.1889 -118.8115 1.1883 estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2 14 1.00e+00 60 F Berny optimization. local minimum Step number 26 out of a maximum of 72 All quantities printed in internal units (Hartrees-Bohrs-Radians) 0.00116 0.00210 0.00323 0.02419 0.03001 0.03450 0.05269 0.05597 0.08282 0.09200 0.11128 0.12216 0.13044 0.14790 0.15670 0.15998 0.16300 0.17316 0.17475 0.20209 0.23043 0.27067 0.28563 0.29238 0.30393 0.33700 0.34592 0.34692 0.34761 0.34988 0.35471 0.37448 0.39861 0.54282 0.55506 0.86060 -5.77568882e-11 R1 R2 R3 R4 R5 R6 R7 R8 R9 R10 R11 R12 R13 R14 A1 A2 A3 A4 A5 A6 A7 A8 A9 A10 A11 A12 A13 A14 A15 A16 A17 A18 A19 A20 A21 A22 A23 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 2.85402 3.15417 2.85854 3.47776 2.74092 2.72193 1.82864 2.79184 2.06735 2.84846 2.06581 2.07076 2.06155 2.07093 1.86578 2.12992 1.85805 1.88475 1.74136 1.94337 1.88963 2.08871 2.20125 1.96283 1.97225 2.02223 2.04845 1.96674 2.17256 2.02192 2.00183 1.92410 1.92626 1.91741 1.91464 1.87730 1.90339 2.67074 0.35009 -1.68108 -2.94735 -1.70173 0.95802 1.39839 2.64401 -0.97942 -0.58804 0.65757 -2.96586 -0.03331 2.64786 -2.67888 0.00229 -1.27044 0.84739 2.94684 -2.49885 -0.38102 1.71843 1.09849 -3.06686 -0.96741 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 -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 -0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00001 -0.00001 -0.00001 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00001 -0.00001 -0.00001 -0.00001 -0.00001 -0.00001 -0.00001 -0.00001 -0.00001 -0.00000 0.00000 -0.00000 -0.00000 0.00001 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 -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 -0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00001 -0.00000 0.00000 0.00003 0.00003 0.00003 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00001 -0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00001 -0.00001 0.00001 -0.00000 0.00001 0.00001 -0.00000 0.00001 0.00001 -0.00000 0.00001 0.00000 0.00000 0.00000 -0.00000 0.00001 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 -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 -0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00001 -0.00000 0.00000 0.00002 0.00002 0.00002 -0.00001 -0.00001 0.00001 -0.00000 -0.00000 0.00001 -0.00001 -0.00000 0.00001 0.00000 0.00000 -0.00001 -0.00001 -0.00001 -0.00001 -0.00001 -0.00001 -0.00001 -0.00001 -0.00000 -0.00001 -0.00000 2.85402 3.15417 2.85854 3.47776 2.74093 2.72194 1.82864 2.79184 2.06735 2.84846 2.06581 2.07076 2.06155 2.07093 1.86578 2.12992 1.85805 1.88476 1.74136 1.94337 1.88964 2.08870 2.20126 1.96282 1.97225 2.02223 2.04845 1.96674 2.17256 2.02192 2.00184 1.92409 1.92626 1.91741 1.91463 1.87730 1.90339 2.67076 0.35011 -1.68106 -2.94735 -1.70174 0.95803 1.39839 2.64400 -0.97941 -0.58805 0.65757 -2.96585 -0.03331 2.64786 -2.67889 0.00228 -1.27044 0.84738 2.94684 -2.49885 -0.38103 1.71843 1.09849 -3.06687 -0.96742 |Maximum Force|RMS Force|Maximum Displacement|RMS Displacement| 0.000003 0.000001 0.000037 0.000008 0.000015 0.000010 0.000060 0.000040 YES YES YES YES -4.283112e-11 Optimization completed. -- Stationary point found. R1 R2 R3 R4 R5 R6 R7 R8 R9 R10 R11 R12 R13 R14 1 1 1 1 2 2 4 6 6 7 7 8 8 8 3 4 5 6 6 7 9 7 10 8 11 12 13 14 1.5103 1.6691 1.5127 1.8404 1.4504 1.4404 0.9677 1.4774 1.094 1.5073 1.0932 1.0958 1.0909 1.0959 -DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0 A1 A2 A3 A4 A5 A6 A7 A8 A9 A10 A11 A12 A13 A14 A15 A16 A17 A18 A19 A20 A21 A22 A23 3 3 3 4 4 5 1 1 1 1 2 7 2 2 6 6 8 7 7 7 12 12 13 1 1 1 1 1 1 4 6 6 6 6 6 7 7 7 7 7 8 8 8 8 8 8 4 5 6 5 6 6 9 2 7 10 10 10 8 11 8 11 11 12 13 14 13 14 14 106.9013 122.0352 106.4582 107.9885 99.7728 111.3469 108.2679 119.674 126.1222 112.4617 113.0018 115.8654 117.3676 112.6858 124.4785 115.8473 114.6965 110.2426 110.3664 109.8595 109.7006 107.5615 109.056 -DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-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 3 5 6 3 3 3 4 4 4 5 5 5 1 1 10 10 2 2 2 6 6 6 11 11 1 1 1 1 1 1 1 1 1 1 1 1 6 6 6 6 7 7 7 7 7 7 7 7 4 4 4 6 6 6 6 6 6 6 6 6 7 7 7 7 8 8 8 8 8 8 8 8 9 9 9 2 7 10 2 7 10 2 7 10 8 11 8 11 12 13 14 12 13 14 12 13 153.0223 20.0585 -96.319 -168.8704 -97.502 54.8907 80.122 151.4904 -56.1169 -33.6923 37.6761 -169.9311 -1.9085 151.7112 -153.4886 0.1311 -72.7906 48.552 168.8417 -143.1735 -21.8308 98.4589 62.9389 -175.7184 -DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-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 0 131.003461 AuxInfo=1/0/N:6;7;8;2;3;4;5;1;9;10;11;12;13;14/rA:14nP0O0O0O0O0C0C0C0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;/rC:-1.6693,-.0071,-.1869;-4.2046,-.7144,-.3864;-.8376,.9702,.7488;-1.1941,.2675,-1.6799;-1.3668,-1.4021,.1568;-3.3344,.3806,-.0668;-4.2916,-.2064,.954;-3.862,-1.1968,2.0553;-1.0512,-.5688,-2.1291;-3.2522,1.427,-.3607;-5.0415,.2573,1.595;-4.0007,-2.2178,1.6998;-2.8117,-1.0363,2.2986;-4.4699,-1.0363,2.9456; 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0.000000 2.851951 0.000000 1.510283 4.023176 0.000000 1.669115 3.414387 2.555901 0.000000 1.512675 3.206984 2.644389 2.575577 0.000000 1.840354 1.450434 2.691242 2.686199 2.775214 0.000000 2.962294 1.440385 3.718565 4.067838 3.374573 1.477378 0.000000 3.424591 2.518519 4.124174 4.822918 3.247833 2.641217 1.507342 0.000000 2.175987 3.462772 3.333874 0.967675 2.526309 3.117854 4.343550 4.981517 0.000000 2.474303 2.130884 2.941320 2.886789 3.701661 1.093993 2.188530 3.547766 3.490094 0.000000 3.871468 2.117622 4.415142 4.866701 4.445702 2.187674 1.093179 2.200922 5.217427 2.431241 0.000000 4.377741 2.900102 5.196589 5.648475 4.035755 3.458102 2.148451 1.095797 5.681901 4.323534 2.570033 0.000000 2.943473 2.729186 3.777050 4.368504 2.364263 2.762850 2.146337 1.090923 4.422050 3.812422 3.090536 1.787976 0.000000 3.874767 3.427295 4.188331 5.417454 3.824638 3.208015 2.143687 1.095892 5.713004 3.964335 2.519067 1.768171 1.780943 0.000000 2.9383361 1.3236174 1.2116641 0 0 0 0 0 0 0 0 0 0 0 0 0 0 131.003461 AuxInfo=1/0/N:6;7;8;2;3;4;5;1;9;10;11;12;13;14/rA:14nP0O0O0O0O0C0C0C0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;/rC:-1.4622,.0668,-.0027;-4.1772,-.7036,-.4137;-.8399,1.2134,.7583;-1.1577,.3366,-1.6214;-1.1243,-1.3758,.3021;-3.2806,.349,.0244;-4.2442,-.2695,.958;-3.878,-1.2734,2.0212;-1.1442,-.5185,-2.0742;-3.5565,1.3343,-.3629;-5.1429,.315,1.1719;-4.6682,-2.0261,2.1201;-2.9342,-1.7614,1.7736;-3.7774,-.7702,2.9895; 0.000000 2.851951 0.000000 1.510283 4.023176 0.000000 1.669115 3.414387 2.555901 0.000000 1.512675 3.206984 2.644389 2.575577 0.000000 1.840354 1.450434 2.691242 2.686199 2.775214 0.000000 2.962294 1.440385 3.718565 4.067838 3.374573 1.477378 0.000000 3.424591 2.518519 4.124174 4.822918 3.247833 2.641217 1.507342 0.000000 2.175987 3.462772 3.333874 0.967675 2.526309 3.117854 4.343550 4.981517 0.000000 2.474303 2.130884 2.941320 2.886789 3.701661 1.093993 2.188530 3.547766 3.490094 0.000000 3.871468 2.117622 4.415142 4.866701 4.445702 2.187674 1.093179 2.200922 5.217427 2.431241 0.000000 4.377741 2.900102 5.196589 5.648475 4.035755 3.458102 2.148451 1.095797 5.681901 4.323534 2.570033 0.000000 2.943473 2.729186 3.777050 4.368504 2.364263 2.762850 2.146337 1.090923 4.422050 3.812422 3.090536 1.787976 0.000000 3.874767 3.427295 4.188331 5.417454 3.824638 3.208015 2.143687 1.095892 5.713004 3.964335 2.519067 1.768171 1.780943 0.000000 2.9383361 1.3236174 1.2116641 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 8 8 8 8 6 6 6 1 1 1 1 1 1 0.103318790 0.036106377 0.098582375 -0.045742050 0.023557342 -0.012413155 -0.037909744 -0.008679015 -0.037536680 -0.002148101 0.018971491 -0.040584319 -0.001131030 -0.067257458 -0.001616826 -0.018791897 0.001112050 0.032480327 0.051215860 -0.019532719 0.027145528 0.017455845 -0.000136991 -0.010509795 0.000374634 -0.006665699 -0.003633136 -0.042585211 0.007940594 -0.014658576 -0.025877211 0.025970797 -0.044096087 0.000993608 -0.003110744 0.001573448 0.001473910 -0.006620092 0.003212333 -0.000647404 -0.001655931 0.002054562 0.103318790 0.032747033 4 -760.369786929 PT5081.200S 2019-05-31T16:37:59.000 Mulliken charges: 1 1 2 3 4 5 6 7 8 9 10 11 12 13 14 P O O O O C C C H H H H H H 0.819042 -0.478875 -0.761695 -0.569437 -0.691943 -0.041777 0.123613 -0.338458 0.340175 0.127292 0.126175 0.116678 0.131826 0.097384 -1.00000 -10.23557 -10.21903 -10.16951 -6.60251 -4.76744 -4.76482 -4.76433 -1.05399 -1.00641 -0.92782 -0.88894 -0.73350 -0.65472 -0.58992 -0.53117 -0.49543 -0.46097 -0.41901 -0.41332 -0.39284 -0.37811 -0.36654 -0.35646 -0.33426 -0.31442 -0.28652 -0.27151 -0.26738 -0.24496 -0.23751 -0.23197 0.08884 0.09886 0.11430 0.12628 0.14441 0.15726 0.18142 0.18232 0.19326 0.20040 0.22939 0.25810 0.28102 0.32853 0.35871 0.36918 0.39970 0.48572 0.51237 0.55878 0.58900 0.59158 0.60382 0.63233 0.68008 0.71007 0.71807 0.79849 0.80908 0.83314 0.85201 0.85733 0.85981 0.87547 0.88517 0.92103 0.92866 0.94296 0.96365 0.98609 1.01651 1.04454 1.04812 1.06824 1.07546 1.09756 1.13592 1.20374 1.21001 1.22737 1.25686 1.31732 1.37674 1.39659 1.42986 1.47416 1.52217 1.55050 1.59512 1.61022 1.64833 1.68716 1.72543 1.75758 1.83278 1.85009 1.86194 1.86602 1.87668 1.90545 1.92533 1.94684 2.01007 2.02858 2.04996 2.06564 2.09142 2.10856 2.12747 2.15791 2.16524 2.21311 2.25192 2.29258 2.29515 2.36610 2.38017 2.38948 2.44125 2.52589 2.53533 2.61822 2.65030 2.68571 2.71067 2.73228 2.74328 2.80079 2.82978 2.85291 2.89475 2.93310 2.96279 3.02469 3.22127 3.31016 3.39521 3.43081 3.45025 3.48965 3.56558 3.73453 3.88491 3.94234 4.09430 4.29583 4.47620 4.62883 Mulliken charges: 1 1 2 3 4 5 6 7 8 9 10 11 12 13 14 P O O O O C C C H H H H H H 0.928260 -0.507186 -0.681854 -0.629395 -0.693347 -0.092938 0.121720 -0.344648 0.330091 0.111788 0.103012 0.108582 0.134926 0.110988 -1.00000 ./ancestor::cml:module[@dictRef='cc:finalization']/cml:molecule[@id='mol9999'] 4.8906 -0.0188 -1.0564 5.0034 -63.5446 -65.1683 -54.9909 -5.1619 -5.4612 0.5228 -2.3100 -3.9337 6.2437 -5.1619 -5.4612 0.5228 425.0729 35.2408 -48.1081 142.4608 33.7816 18.2702 128.9062 0.5573 -20.1785 3.2927 -2709.8925 -312.0281 -397.9801 -242.5516 49.3269 -156.9049 56.6917 201.8833 74.9606 -492.8512 -488.8201 -121.2432 -2.1321 70.7744 -37.9069 0 -760.3697869 6.19E-9 8.314E-6 -1.7174501,-2.9246094,4.6420596,-3.8377704,-4.0602565,0.3886981 C01 [X(C3H6O4P1)] -2.5997181 -0.3753137 0.0049415 -0.000005333 0.000003784 -0.000010531 -0.000005434 -0.000010626 0.000006225 -0.000004151 0.000008866 -0.000016904 -0.000014380 -0.000000901 -0.000012133 0.000002358 0.000005534 -0.000006242 -0.000002689 -0.000001338 0.000001378 0.000000159 -0.000002618 0.000007649 0.000012700 0.000003151 0.000007996 -0.000013702 -0.000002357 -0.000009368 -0.000011197 -0.000005480 -0.000003055 0.000001133 -0.000005570 0.000009495 0.000014796 -0.000001245 0.000014949 0.000011253 0.000003546 0.000004764 0.000014487 0.000005255 0.000005774 131.003461 AuxInfo=1/0/N:6;7;8;2;3;4;5;1;9;10;11;12;13;14/rA:14nP0O0O0O0O0C0C0C0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;/rC:-1.4622,.0668,-.0027;-4.1772,-.7036,-.4137;-.8399,1.2134,.7583;-1.1577,.3366,-1.6214;-1.1243,-1.3758,.3021;-3.2806,.349,.0244;-4.2442,-.2695,.958;-3.878,-1.2734,2.0212;-1.1442,-.5185,-2.0742;-3.5565,1.3343,-.3629;-5.1429,.315,1.1719;-4.6682,-2.0261,2.1201;-2.9342,-1.7614,1.7736;-3.7774,-.7702,2.9895; Gaussian 16 GINC-ART ANDREA NEW-compound opt 6-31G** ES64L-G16RevA.03 RB3LYP 6-31G(d,p) Freq #N Geom=AllCheck Guess=TCheck SCRF=Check Test GenChk RB3LYP/6-31G(d,p) Freq 0 0 0 0 0 0 0 0 0 0 0 0 0 0 131.003461 AuxInfo=1/0/N:6;7;8;2;3;4;5;1;9;10;11;12;13;14/rA:14nP0O0O0O0O0C0C0C0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;/rC:-1.4622,.0668,-.0027;-4.1772,-.7036,-.4137;-.8399,1.2134,.7583;-1.1577,.3366,-1.6214;-1.1243,-1.3758,.3021;-3.2806,.349,.0244;-4.2442,-.2695,.958;-3.878,-1.2734,2.0212;-1.1442,-.5185,-2.0742;-3.5565,1.3343,-.3629;-5.1429,.315,1.1719;-4.6682,-2.0261,2.1201;-2.9342,-1.7614,1.7736;-3.7774,-.7702,2.9895; NEW-compound opt 6-31G** Redundant internal coordinates found in file. (old form). Charge = -1 Multiplicity = 1 Berny optimization. R1 R2 R3 R4 R5 R6 R7 R8 R9 R10 R11 R12 R13 R14 1 1 1 1 2 2 4 6 6 7 7 8 8 8 3 4 5 6 6 7 9 7 10 8 11 12 13 14 1.5103 1.6691 1.5127 1.8404 1.4504 1.4404 0.9677 1.4774 1.094 1.5073 1.0932 1.0958 1.0909 1.0959 calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically A1 A2 A3 A4 A5 A6 A7 A8 A9 A10 A11 A12 A13 A14 A15 A16 A17 A18 A19 A20 A21 A22 A23 3 3 3 4 4 5 1 1 1 1 2 7 2 2 6 6 8 7 7 7 12 12 13 1 1 1 1 1 1 4 6 6 6 6 6 7 7 7 7 7 8 8 8 8 8 8 4 5 6 5 6 6 9 2 7 10 10 10 8 11 8 11 11 12 13 14 13 14 14 106.9013 122.0352 106.4582 107.9885 99.7728 111.3469 108.2679 119.674 126.1222 112.4617 113.0018 115.8654 117.3676 112.6858 124.4785 115.8473 114.6965 110.2426 110.3664 109.8595 109.7006 107.5615 109.056 calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically 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 3 5 6 3 3 3 4 4 4 5 5 5 1 1 10 10 2 2 2 6 6 6 11 11 11 1 1 1 1 1 1 1 1 1 1 1 1 6 6 6 6 7 7 7 7 7 7 7 7 7 4 4 4 6 6 6 6 6 6 6 6 6 7 7 7 7 8 8 8 8 8 8 8 8 8 9 9 9 2 7 10 2 7 10 2 7 10 8 11 8 11 12 13 14 12 13 14 12 13 14 153.0223 20.0585 -96.319 -168.8704 -97.502 54.8907 80.122 151.4904 -56.1169 -33.6923 37.6761 -169.9311 -1.9085 151.7112 -153.4886 0.1311 -72.7906 48.552 168.8417 -143.1735 -21.8308 98.4589 62.9389 -175.7184 -55.4287 calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically Berny optimization. local minimum Step number 1 out of a maximum of 2 All quantities printed in internal units (Hartrees-Bohrs-Radians) Second derivative matrix not updated -- analytic derivatives used. 0.00116 0.00213 0.00333 0.01964 0.02661 0.02995 0.04523 0.04633 0.07159 0.08111 0.09102 0.09934 0.11126 0.11509 0.12516 0.13247 0.14486 0.14719 0.16053 0.17435 0.19952 0.21033 0.24257 0.24679 0.27703 0.28784 0.30545 0.33496 0.33682 0.33851 0.34129 0.35003 0.37671 0.52473 0.53804 0.56263 Angle between quadratic step and forces= 61.64 degrees. 1 2 0.00001033 0.00000000 0.00000000 0.00000000 R1 R2 R3 R4 R5 R6 R7 R8 R9 R10 R11 R12 R13 R14 A1 A2 A3 A4 A5 A6 A7 A8 A9 A10 A11 A12 A13 A14 A15 A16 A17 A18 A19 A20 A21 A22 A23 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 2.85402 3.15417 2.85854 3.47776 2.74092 2.72193 1.82864 2.79184 2.06735 2.84846 2.06581 2.07076 2.06155 2.07093 1.86578 2.12992 1.85805 1.88475 1.74136 1.94337 1.88963 2.08871 2.20125 1.96283 1.97225 2.02223 2.04845 1.96674 2.17256 2.02192 2.00183 1.92410 1.92626 1.91741 1.91464 1.87730 1.90339 2.67074 0.35009 -1.68108 -2.94735 -1.70173 0.95802 1.39839 2.64401 -0.97942 -0.58804 0.65757 -2.96586 -0.03331 2.64786 -2.67888 0.00229 -1.27044 0.84739 2.94684 -2.49885 -0.38102 1.71843 1.09849 -3.06686 -0.96741 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 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 0.00001 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 0.00001 -0.00000 -0.00001 -0.00000 -0.00001 0.00000 -0.00001 -0.00000 0.00000 -0.00000 0.00000 0.00001 -0.00001 -0.00000 0.00001 0.00002 0.00002 0.00002 -0.00001 -0.00001 0.00001 -0.00000 -0.00000 0.00002 -0.00001 -0.00001 0.00001 0.00001 0.00000 -0.00001 -0.00002 0.00001 -0.00001 0.00001 0.00001 -0.00001 0.00001 0.00001 -0.00000 0.00001 0.00000 -0.00000 0.00000 -0.00000 0.00001 0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 -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 -0.00000 0.00000 0.00001 -0.00001 -0.00000 0.00001 0.00002 0.00002 0.00002 -0.00001 -0.00001 0.00001 -0.00000 -0.00000 0.00002 -0.00001 -0.00001 0.00001 0.00001 0.00000 -0.00001 -0.00002 0.00001 -0.00001 0.00001 0.00001 -0.00001 0.00001 0.00001 -0.00000 0.00001 2.85402 3.15417 2.85854 3.47776 2.74094 2.72194 1.82864 2.79184 2.06735 2.84846 2.06581 2.07076 2.06155 2.07093 1.86578 2.12992 1.85805 1.88476 1.74136 1.94337 1.88964 2.08870 2.20126 1.96283 1.97225 2.02223 2.04844 1.96674 2.17256 2.02192 2.00184 1.92409 1.92626 1.91742 1.91463 1.87730 1.90339 2.67077 0.35011 -1.68106 -2.94735 -1.70174 0.95804 1.39839 2.64400 -0.97941 -0.58805 0.65757 -2.96584 -0.03330 2.64786 -2.67890 0.00227 -1.27043 0.84739 2.94685 -2.49884 -0.38103 1.71844 1.09850 -3.06687 -0.96740 |Maximum Force|RMS Force|Maximum Displacement|RMS Displacement| 0.000003 0.000001 0.000044 0.000010 0.000015 0.000010 0.000060 0.000040 YES YES YES YES -6.142030e-11 Optimization completed. -- Stationary point found. R1 R2 R3 R4 R5 R6 R7 R8 R9 R10 R11 R12 R13 R14 1 1 1 1 2 2 4 6 6 7 7 8 8 8 3 4 5 6 6 7 9 7 10 8 11 12 13 14 1.5103 1.6691 1.5127 1.8404 1.4504 1.4404 0.9677 1.4774 1.094 1.5073 1.0932 1.0958 1.0909 1.0959 -DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0 A1 A2 A3 A4 A5 A6 A7 A8 A9 A10 A11 A12 A13 A14 A15 A16 A17 A18 A19 A20 A21 A22 A23 3 3 3 4 4 5 1 1 1 1 2 7 2 2 6 6 8 7 7 7 12 12 13 1 1 1 1 1 1 4 6 6 6 6 6 7 7 7 7 7 8 8 8 8 8 8 4 5 6 5 6 6 9 2 7 10 10 10 8 11 8 11 11 12 13 14 13 14 14 106.9013 122.0352 106.4582 107.9885 99.7728 111.3469 108.2679 119.674 126.1222 112.4617 113.0018 115.8654 117.3676 112.6858 124.4785 115.8473 114.6965 110.2426 110.3664 109.8595 109.7006 107.5615 109.056 -DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-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 3 5 6 3 3 3 4 4 4 5 5 5 1 1 10 10 2 2 2 6 6 6 11 11 1 1 1 1 1 1 1 1 1 1 1 1 6 6 6 6 7 7 7 7 7 7 7 7 4 4 4 6 6 6 6 6 6 6 6 6 7 7 7 7 8 8 8 8 8 8 8 8 9 9 9 2 7 10 2 7 10 2 7 10 8 11 8 11 12 13 14 12 13 14 12 13 153.0223 20.0585 -96.319 -168.8704 -97.502 54.8907 80.122 151.4904 -56.1169 -33.6923 37.6761 -169.9311 -1.9085 151.7112 -153.4886 0.1311 -72.7906 48.552 168.8417 -143.1735 -21.8308 98.4589 62.9389 -175.7184 -DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-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 6-31G(d,p) (6D, 7F) 14 14 14 1.00e+00 60 F 0.000000 2.851951 0.000000 1.510283 4.023176 0.000000 1.669115 3.414387 2.555901 0.000000 1.512675 3.206984 2.644389 2.575577 0.000000 1.840354 1.450434 2.691242 2.686199 2.775214 0.000000 2.962294 1.440385 3.718565 4.067838 3.374573 1.477378 0.000000 3.424591 2.518519 4.124174 4.822918 3.247833 2.641217 1.507342 0.000000 2.175987 3.462772 3.333874 0.967675 2.526309 3.117854 4.343550 4.981517 0.000000 2.474303 2.130884 2.941320 2.886789 3.701661 1.093993 2.188530 3.547766 3.490094 0.000000 3.871468 2.117622 4.415142 4.866701 4.445702 2.187674 1.093179 2.200922 5.217427 2.431241 0.000000 4.377741 2.900102 5.196589 5.648475 4.035755 3.458102 2.148451 1.095797 5.681901 4.323534 2.570033 0.000000 2.943473 2.729186 3.777050 4.368504 2.364263 2.762850 2.146337 1.090923 4.422050 3.812422 3.090536 1.787976 0.000000 3.874767 3.427295 4.188331 5.417454 3.824638 3.208015 2.143687 1.095892 5.713004 3.964335 2.519067 1.768171 1.780943 0.000000 2.9383361 1.3236174 1.2116641 1 -760.369786929 Symmetrizing basis deriv contribution to polar: IMax=3 JMax=2 DiffMx= 0.00D+00 IDoAtm=11111111111111 NEqPCM: Using equilibrium solvation (IEInf=0, Eps= 78.3553, EpsInf= 1.7778) Differentiating once with respect to electric field. with respect to dipole field. Differentiating once with respect to nuclear coordinates. Keep R1 ints in memory in canonical form, NReq=86855664. There are 45 degrees of freedom in the 1st order CPHF. IDoFFX=6 NUNeed= 3. 42 vectors produced by pass 0 Test12= 9.44D-15 2.22D-09 XBig12= 4.14D+01 1.69D+00. AX will form 42 AO Fock derivatives at one time. 42 vectors produced by pass 1 Test12= 9.44D-15 2.22D-09 XBig12= 9.74D+00 5.51D-01. 42 vectors produced by pass 2 Test12= 9.44D-15 2.22D-09 XBig12= 8.93D-02 4.20D-02. 42 vectors produced by pass 3 Test12= 9.44D-15 2.22D-09 XBig12= 3.70D-04 2.57D-03. 42 vectors produced by pass 4 Test12= 9.44D-15 2.22D-09 XBig12= 7.84D-07 9.83D-05. 28 vectors produced by pass 5 Test12= 9.44D-15 2.22D-09 XBig12= 1.07D-09 3.68D-06. 6 vectors produced by pass 6 Test12= 9.44D-15 2.22D-09 XBig12= 9.28D-13 1.17D-07. 3 vectors produced by pass 7 Test12= 9.44D-15 2.22D-09 XBig12= 8.32D-16 3.86D-09. InvSVY: IOpt=1 It= 1 EMax= 3.55D-15 Solved reduced A of dimension 247 with 45 vectors. Isotropic polarizability for W= 0.000000 74.90 Bohr**3. End of Minotr F.D. properties file 721 does not exist. PT928.900S 2019-05-31T16:39:08.000 -10.23557 -10.21903 -10.16951 -6.60251 -4.76744 -4.76482 -4.76433 -1.05399 -1.00641 -0.92782 -0.88894 -0.73350 -0.65472 -0.58992 -0.53117 -0.49543 -0.46097 -0.41901 -0.41332 -0.39284 -0.37811 -0.36654 -0.35646 -0.33426 -0.31442 -0.28652 -0.27151 -0.26738 -0.24496 -0.23751 -0.23197 0.08884 0.09886 0.11430 0.12628 0.14441 0.15726 0.18142 0.18232 0.19326 0.20040 0.22939 0.25810 0.28102 0.32853 0.35871 0.36918 0.39970 0.48572 0.51237 0.55878 0.58900 0.59158 0.60382 0.63233 0.68008 0.71007 0.71807 0.79849 0.80908 0.83314 0.85201 0.85733 0.85981 0.87547 0.88517 0.92103 0.92866 0.94296 0.96365 0.98609 1.01651 1.04454 1.04812 1.06824 1.07546 1.09756 1.13592 1.20374 1.21001 1.22737 1.25686 1.31732 1.37675 1.39659 1.42986 1.47416 1.52217 1.55050 1.59512 1.61022 1.64833 1.68716 1.72543 1.75758 1.83278 1.85009 1.86194 1.86602 1.87668 1.90545 1.92533 1.94684 2.01007 2.02858 2.04996 2.06564 2.09142 2.10856 2.12747 2.15791 2.16524 2.21311 2.25192 2.29258 2.29515 2.36610 2.38017 2.38948 2.44125 2.52589 2.53533 2.61822 2.65030 2.68571 2.71067 2.73228 2.74328 2.80079 2.82978 2.85291 2.89475 2.93310 2.96279 3.02469 3.22127 3.31016 3.39521 3.43081 3.45025 3.48965 3.56558 3.73453 3.88491 3.94234 4.09430 4.29583 4.47620 4.62883 Mulliken charges: 1 1 2 3 4 5 6 7 8 9 10 11 12 13 14 P O O O O C C C H H H H H H 0.928260 -0.507186 -0.681854 -0.629396 -0.693347 -0.092938 0.121721 -0.344648 0.330091 0.111788 0.103011 0.108582 0.134926 0.110988 -1.00000 Mulliken charges with hydrogens summed into heavy atoms: 1 1 2 3 4 5 6 7 8 P O O O O C C C 0.928260 -0.507186 -0.681854 -0.299304 -0.693347 0.018850 0.224732 0.009848 -1.00000 77.353 4.052 72.693 -8.494 -3.932 74.653 82.548 5.915 90.193 -4.179 0.377 85.671 -6.0901 -0.0017 -0.0014 -0.0014 19.1238 24.2290 63.9732 145.6914 173.4914 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 A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A 63.6179 145.6564 173.4839 196.7813 234.1284 257.3911 342.3025 372.0733 398.7405 433.5853 496.5644 546.7608 710.2805 760.3668 779.5894 876.3568 965.9101 1012.3698 1020.2182 1078.2014 1083.8702 1167.5741 1180.8007 1260.1194 1292.1534 1366.7656 1411.5671 1457.2519 1504.1601 1511.2329 3040.2740 3077.9966 3093.1621 3101.4219 3156.4966 3818.8707 4.8956 2.1757 2.2421 4.2039 1.7907 1.6679 5.9938 3.9218 3.7138 6.7614 6.1554 6.5843 4.3261 6.8008 5.4713 3.6081 2.8609 1.1998 1.2393 10.4645 1.4886 1.4598 1.6799 8.5094 1.4515 1.4430 1.3161 1.7884 1.2406 1.0476 1.0377 1.0845 1.0896 1.1012 1.1019 1.0657 0.0117 0.0272 0.0398 0.0959 0.0578 0.0651 0.4138 0.3199 0.3479 0.7489 0.8942 1.1597 1.2859 2.3166 1.9592 1.6327 1.5726 0.7245 0.7600 7.1675 1.0303 1.1725 1.3801 7.9611 1.4279 1.5882 1.5451 2.2376 1.6538 1.4096 5.6515 6.0535 6.1423 6.2410 6.4688 9.1571 7.9149 72.3072 43.7625 17.9232 2.5842 4.9297 6.2645 42.2603 42.2176 11.6738 82.5567 132.7414 18.3378 230.1996 146.8454 43.1652 15.7547 108.3480 20.3232 228.9340 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