Gaussian 16 GINC-FUENTIDUENYA APULGAR Optimization propamocarb CONF32 gas EM64L-G16RevC.01 16-Dec-2022 Gaussian 16 3-Jul-2019 EM64L-G16RevC.01 33 33 52 52 406 (5D, 7F) 6-311+G(d,p) 93 93 C1[X(C9H20N2O2)] C1[X(C9H20N2O2)] RB3LYP 6-311+G(d,p) FOpt #P B3LYP 6-311+G(d,p) EmpiricalDispersion=gd3 opt freq 168.10849999999994 0 1 AuxInfo=1/0/N:5;6;7;8;9;10;11;12;13;3;4;1;2;14;15;16;17;18;19;20;21;22;23;24;25;26;27;28;29;30;31;32;33/rA:33nO0O0N0N0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:-1.7301,.2224,.4456;-1.2513,2.3,-.2863;2.2285,-1.0861,.13;.3022,1.0153,.7833;2.3319,1.3073,-.616;3.0809,.0319,-.2449;1.4437,1.8494,.5008;1.4765,-1.6061,-.9918;2.9924,-2.1343,.7692;-3.0651,.3499,-.027;-3.7637,-.9766,.1859;-.9162,1.2759,.2585;-3.1357,-2.1299,-.5845;3.0839,2.0631,-.8598;1.7385,1.1778,-1.5246;3.7218,.2575,.6132;3.7608,-.2455,-1.0697;2.0347,1.9582,1.4151;1.0819,2.8428,.2408;.5206,.0622,1.0372;2.1191,-1.9848,-1.8021;.8235,-.8422,-1.4118;.8375,-2.4261,-.6614;3.7597,-2.5772,.115;2.328,-2.937,1.0913;3.4945,-1.746,1.6561;-3.07,.6185,-1.0876;-3.5818,1.149,.5116;-3.7942,-1.2088,1.2535;-4.8035,-.8479,-.1265;-3.1129,-1.9231,-1.6559;-2.1123,-2.3172,-.2614;-3.7014,-3.0503,-.4402; g16 /usr/local/gaussian/gaussian16/g16/l1.exe "/temporal/apulgar/opt-b3lyp-pople.com-4606995/Gau-17592.inp" -scrdir="/temporal/apulgar/opt-b3lyp-pople.com-4606995/" chk=/home/apulgar/almacen/pesticidas/F2-F4/propamocarb/gaussian/gas/CONF32/opt- #P B3LYP 6-311+G(d,p) EmpiricalDispersion=gd3 opt freq 1/18=20,19=15,26=3,38=1/1,3 2/9=110,12=2,17=6,18=5,40=1/2 3/5=4,6=6,7=111,11=2,25=1,30=1,71=1,74=-5,124=31/1,2,3 4//1 5/5=2,38=5/2 6/7=2,8=2,9=2,10=2,28=1/1 7//1,2,3,16 1/18=20,19=15,26=3/3(2) 2/9=110/2 99//99 2/9=110/2 3/5=4,6=6,7=111,11=2,25=1,30=1,71=1,74=-5,124=31/1,2,3 4/5=5,16=3,69=1/1 5/5=2,38=5/2 7//1,2,3,16 1/18=20,19=15,26=3/3(-5) 2/9=110/2 6/7=2,8=2,9=2,10=2,19=2,28=1/1 99/9=1/99 Optimization propamocarb CONF32 gas 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 16 16 14 14 12 12 12 12 12 12 12 12 12 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 15.9949146 15.9949146 14.0030740 14.0030740 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 0 0 2 2 0 0 0 0 0 0 0 0 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 (Enter /usr/local/gaussian/gaussian16/g16/l101.exe) Berny optimization. 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 1 1 2 3 3 3 4 4 4 5 5 5 5 6 6 7 7 8 8 8 9 9 9 10 10 10 11 11 11 13 13 13 10 12 12 6 8 9 7 12 20 6 7 14 15 16 17 18 19 21 22 23 24 25 26 11 27 28 13 29 30 31 32 33 1.4219 1.3444 1.2074 1.455 1.4472 1.446 1.4416 1.352 1.0103 1.5249 1.5264 1.0936 1.093 1.0945 1.1042 1.0942 1.0887 1.1013 1.0892 1.0908 1.1013 1.0907 1.0906 1.5143 1.094 1.0934 1.5224 1.093 1.0933 1.0915 1.0894 1.0899 estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|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 10 6 6 8 7 7 12 6 6 6 7 7 14 3 3 3 5 5 16 4 4 4 5 5 18 3 3 3 21 21 22 3 3 3 24 24 25 1 1 1 11 11 27 10 10 10 13 13 29 1 1 2 11 11 11 31 31 32 1 3 3 3 4 4 4 5 5 5 5 5 5 6 6 6 6 6 6 7 7 7 7 7 7 8 8 8 8 8 8 9 9 9 9 9 9 10 10 10 10 10 10 11 11 11 11 11 11 12 12 12 13 13 13 13 13 13 12 8 9 9 12 20 20 7 14 15 14 15 15 5 16 17 16 17 17 5 18 19 18 19 19 21 22 23 22 23 23 24 25 26 25 26 26 11 27 28 27 28 28 13 29 30 29 30 30 2 4 4 31 32 33 32 33 33 116.8643 112.3811 111.1836 110.8991 121.7329 115.0858 118.3041 113.8811 107.1311 111.7077 108.5277 109.5316 105.6566 114.6829 107.4193 111.1115 107.8161 109.3123 106.074 113.4944 108.7486 108.1555 109.4106 110.0454 106.7555 112.9988 111.0007 109.8585 107.8988 107.8243 107.0286 113.3868 110.0122 110.1595 107.6892 107.792 107.5987 107.9306 110.3925 110.2142 110.4378 110.6666 107.2158 113.7134 109.6456 107.1855 110.1728 109.6902 106.1163 124.0163 109.9115 126.0665 111.2099 111.5726 111.0166 107.7004 107.5069 107.6451 estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|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 12 12 12 10 10 8 8 8 9 9 9 6 6 6 9 9 9 6 6 6 8 8 8 12 12 12 20 20 20 7 7 20 20 7 7 7 14 14 14 15 15 15 6 6 6 14 14 14 15 15 15 1 1 1 27 27 27 28 28 28 10 10 10 29 29 29 30 30 30 1 1 1 1 1 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 4 4 4 4 4 4 4 4 4 4 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 10 10 10 10 10 10 10 10 10 11 11 11 11 11 11 11 11 11 10 10 10 12 12 6 6 6 6 6 6 8 8 8 8 8 8 9 9 9 9 9 9 7 7 7 7 7 7 12 12 12 12 6 6 6 6 6 6 6 6 6 7 7 7 7 7 7 7 7 7 11 11 11 11 11 11 11 11 11 13 13 13 13 13 13 13 13 13 11 27 28 2 4 5 16 17 5 16 17 21 22 23 21 22 23 24 25 26 24 25 26 5 18 19 5 18 19 1 2 1 2 3 16 17 3 16 17 3 16 17 4 18 19 4 18 19 4 18 19 13 29 30 13 29 30 13 29 30 31 32 33 31 32 33 31 32 33 175.593 54.8061 -63.447 -0.4861 178.686 68.9108 -171.2802 -55.6726 -166.1067 -46.2976 69.3099 60.7456 -60.6248 -178.7998 -64.3929 174.2367 56.0618 -62.462 176.8854 58.4291 63.348 -57.3046 -175.7609 -97.3093 140.6697 25.0942 57.5207 -64.5004 179.9241 167.5491 -13.2999 13.4933 -167.3557 59.1849 -60.4032 -175.2875 179.1926 59.6046 -55.2798 -65.5512 174.8607 59.9764 -68.7382 52.9141 169.9107 172.0443 -66.3034 50.6932 57.1538 178.8061 -64.1973 -61.857 61.9734 176.7402 58.9016 -177.2679 -62.5012 177.4657 -58.7039 56.0628 -57.4592 62.8145 -177.1139 178.9969 -60.7295 59.3422 62.5371 -177.1893 -57.1176 estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2 0.10000e-02 0.10000e-05 F 419 A 406 A 628 419 880.6055389795 33 1.00e+00 60 F IExCor= 402 DFT=T Ex+Corr=B3LYP ExCW=0 ScaHFX= 0.200000 ScaDFX= 0.800000 0.720000 1.000000 0.810000 ScalE2= 1.000000 1.000000 IRadAn= 5 IRanWt= -1 IRanGd= 0 ICorTp=0 IEmpDi=131 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. One-electron integral symmetry used in STVInt NBasis= 406 RedAO= T EigKep= 1.94D-05 NBF= 406 NBsUse= 406 1.00D-06 EigRej= -1.00D+00 NBFU= 406 Berny optimization. local minimum Step number 15 out of a maximum of 169 All quantities printed in internal units (Hartrees-Bohrs-Radians) 0.00179 0.00250 0.00463 0.00551 0.00658 0.00682 0.00994 0.01088 0.01106 0.01919 0.02351 0.02422 0.02903 0.03621 0.03953 0.04461 0.04657 0.04945 0.04980 0.05368 0.05567 0.05593 0.05644 0.05666 0.05902 0.07286 0.07298 0.07619 0.07680 0.08103 0.08520 0.08651 0.09703 0.09983 0.11383 0.12307 0.12531 0.13254 0.13677 0.13828 0.14918 0.15400 0.15989 0.16002 0.16005 0.16010 0.16022 0.16117 0.16151 0.16356 0.17615 0.18781 0.21814 0.22047 0.22327 0.22460 0.23925 0.24455 0.25147 0.27865 0.28945 0.30014 0.30189 0.31177 0.33273 0.33455 0.33539 0.34265 0.34330 0.34363 0.34370 0.34413 0.34451 0.34525 0.34604 0.34700 0.34734 0.34743 0.34782 0.34871 0.34975 0.35022 0.36147 0.37424 0.38492 0.39081 0.41240 0.41632 0.45690 0.50969 0.52979 0.57523 0.99735 -1.08616727e-09 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 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 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 2.72698 2.57510 2.29755 2.78073 2.76313 2.75916 2.75508 2.57163 1.91632 2.89812 2.90166 2.07093 2.06755 2.07004 2.09147 2.06963 2.06022 2.08790 2.06028 2.06365 2.08895 2.06459 2.06471 2.87116 2.06701 2.06638 2.89395 2.06933 2.07079 2.06897 2.06383 2.06557 2.02726 1.96042 1.93609 1.93457 2.10412 2.00176 2.03031 1.98933 1.87442 1.94171 1.89587 1.90414 1.85267 2.00212 1.86923 1.92817 1.88903 1.90849 1.86078 1.97435 1.88855 1.87589 1.91756 1.92376 1.88086 1.96043 1.93022 1.91135 1.89283 1.89134 1.87531 1.96559 1.91567 1.91856 1.88687 1.88858 1.88660 1.87511 1.90413 1.90203 1.94812 1.95115 1.88261 1.97463 1.90060 1.87702 1.92239 1.92223 1.86309 2.16076 1.91776 2.20461 1.93660 1.93113 1.94091 1.88224 1.88274 1.88813 3.00781 0.89318 -1.15831 -0.01726 3.11435 1.18842 -2.99813 -0.97817 -2.91887 -0.82223 1.19772 1.04337 -1.07403 -3.13747 -1.13336 3.03243 0.96899 -1.08408 3.09605 1.02318 1.10638 -0.99669 -3.06955 -1.57861 2.57583 0.54906 0.98640 -1.14235 3.11407 2.86753 -0.28436 0.31147 -2.84042 1.03555 -1.05008 -3.07064 3.13650 1.05087 -0.96969 -1.12629 3.07127 1.05070 -1.17430 0.93811 3.00827 3.02000 -1.15077 0.91939 1.00768 3.12009 -1.09294 -1.09919 1.04458 3.05728 0.98758 3.13134 -1.13915 3.09804 -1.04138 0.97132 -1.03544 1.05317 -3.13116 3.11611 -1.07846 1.02039 1.06573 -3.12884 -1.02998 -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 0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 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 0.00001 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00001 0.00000 0.00000 0.00000 -0.00001 -0.00001 -0.00003 -0.00000 0.00000 -0.00000 -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 -0.00000 -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 -0.00001 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 -0.00000 -0.00001 0.00030 0.00030 0.00031 -0.00005 -0.00005 -0.00001 -0.00001 -0.00001 -0.00000 -0.00000 -0.00000 0.00002 0.00002 0.00002 0.00001 0.00001 0.00002 0.00001 0.00001 0.00002 0.00002 0.00002 0.00002 0.00006 0.00005 0.00006 -0.00004 -0.00005 -0.00004 -0.00008 -0.00008 0.00002 0.00002 0.00001 0.00001 0.00001 0.00001 0.00001 0.00001 0.00001 0.00001 0.00001 0.00002 0.00003 0.00002 0.00002 0.00003 0.00001 0.00003 0.00003 0.00002 -0.00003 -0.00003 -0.00003 -0.00003 -0.00004 -0.00004 -0.00004 -0.00004 -0.00005 -0.00011 -0.00011 -0.00012 -0.00011 -0.00010 -0.00011 -0.00010 -0.00010 -0.00011 -0.00002 -0.00001 0.00000 -0.00000 -0.00000 -0.00000 0.00001 0.00001 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 0.00001 0.00000 0.00000 0.00001 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00001 -0.00001 0.00000 0.00001 -0.00002 -0.00001 -0.00002 0.00000 -0.00001 -0.00001 0.00000 -0.00000 0.00001 -0.00000 -0.00000 0.00000 0.00000 -0.00001 0.00001 -0.00001 -0.00000 -0.00001 0.00000 -0.00000 0.00002 0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00001 0.00001 0.00000 -0.00001 -0.00001 -0.00000 -0.00000 0.00001 -0.00001 -0.00000 -0.00000 0.00001 -0.00000 0.00001 -0.00000 -0.00001 -0.00000 -0.00000 -0.00000 0.00000 0.00001 0.00010 0.00010 0.00010 -0.00001 -0.00001 0.00002 0.00002 0.00003 0.00003 0.00003 0.00003 -0.00002 -0.00002 -0.00002 -0.00002 -0.00002 -0.00003 -0.00002 -0.00001 -0.00002 -0.00002 -0.00001 -0.00002 -0.00001 -0.00000 -0.00002 -0.00011 -0.00010 -0.00012 -0.00003 -0.00004 0.00007 0.00006 0.00002 0.00002 0.00001 0.00002 0.00002 0.00001 0.00003 0.00003 0.00002 0.00002 0.00002 0.00003 0.00003 0.00002 0.00004 0.00001 0.00001 0.00003 0.00006 0.00006 0.00007 0.00007 0.00007 0.00008 0.00005 0.00006 0.00007 0.00011 0.00010 0.00011 0.00010 0.00009 0.00010 0.00009 0.00008 0.00009 -0.00001 -0.00001 -0.00000 -0.00001 -0.00001 -0.00001 0.00001 0.00002 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 0.00001 0.00001 -0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00001 -0.00003 -0.00002 -0.00005 0.00000 -0.00001 -0.00001 -0.00000 -0.00000 0.00001 -0.00001 -0.00000 0.00000 0.00001 -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 0.00001 0.00000 0.00001 -0.00001 0.00000 -0.00001 -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 0.00040 0.00041 0.00041 -0.00005 -0.00006 0.00001 0.00001 0.00002 0.00002 0.00003 0.00003 0.00000 0.00000 0.00000 -0.00001 -0.00001 -0.00001 -0.00000 0.00000 -0.00000 0.00000 0.00001 0.00000 0.00005 0.00005 0.00004 -0.00015 -0.00015 -0.00016 -0.00011 -0.00012 0.00009 0.00008 0.00003 0.00003 0.00003 0.00003 0.00003 0.00002 0.00003 0.00003 0.00003 0.00004 0.00004 0.00005 0.00005 0.00005 0.00005 0.00004 0.00004 0.00005 0.00004 0.00004 0.00004 0.00004 0.00004 0.00004 0.00002 0.00002 0.00002 -0.00001 -0.00001 -0.00001 -0.00001 -0.00001 -0.00001 -0.00002 -0.00002 -0.00002 2.72696 2.57509 2.29755 2.78072 2.76312 2.75916 2.75509 2.57165 1.91633 2.89813 2.90166 2.07093 2.06755 2.07004 2.09147 2.06963 2.06022 2.08790 2.06028 2.06365 2.08895 2.06459 2.06471 2.87117 2.06702 2.06638 2.89395 2.06932 2.07079 2.06897 2.06383 2.06557 2.02725 1.96042 1.93609 1.93458 2.10409 2.00174 2.03026 1.98933 1.87441 1.94170 1.89587 1.90414 1.85267 2.00211 1.86923 1.92817 1.88904 1.90849 1.86079 1.97435 1.88855 1.87589 1.91756 1.92375 1.88087 1.96043 1.93022 1.91135 1.89282 1.89134 1.87531 1.96559 1.91566 1.91856 1.88687 1.88858 1.88660 1.87512 1.90413 1.90204 1.94811 1.95115 1.88260 1.97463 1.90060 1.87702 1.92239 1.92223 1.86310 2.16076 1.91777 2.20461 1.93660 1.93112 1.94091 1.88224 1.88274 1.88814 3.00820 0.89358 -1.15790 -0.01731 3.11429 1.18843 -2.99811 -0.97816 -2.91885 -0.82221 1.19775 1.04337 -1.07402 -3.13747 -1.13337 3.03242 0.96898 -1.08408 3.09605 1.02318 1.10638 -0.99668 -3.06955 -1.57856 2.57588 0.54911 0.98625 -1.14250 3.11391 2.86742 -0.28448 0.31155 -2.84034 1.03559 -1.05004 -3.07062 3.13653 1.05090 -0.96967 -1.12625 3.07130 1.05073 -1.17425 0.93816 3.00832 3.02005 -1.15072 0.91944 1.00772 3.12013 -1.09289 -1.09915 1.04462 3.05732 0.98761 3.13138 -1.13911 3.09806 -1.04136 0.97134 -1.03545 1.05316 -3.13116 3.11610 -1.07847 1.02039 1.06571 -3.12886 -1.03000 |Maximum Force|RMS Force|Maximum Displacement|RMS Displacement| 0.000006 0.000001 0.000983 0.000235 0.000450 0.000300 0.001800 0.001200 YES YES YES YES -1.982799e-09 Optimization completed. -- Stationary point found. R1 R2 R3 R4 R5 R6 R7 R8 R9 R10 R11 R12 R13 R14 R15 R16 R17 R18 R19 R20 R21 R22 R23 R24 R25 R26 R27 R28 R29 R30 R31 R32 1 1 2 3 3 3 4 4 4 5 5 5 5 6 6 7 7 8 8 8 9 9 9 10 10 10 11 11 11 13 13 13 10 12 12 6 8 9 7 12 20 6 7 14 15 16 17 18 19 21 22 23 24 25 26 11 27 28 13 29 30 31 32 33 1.4431 1.3627 1.2158 1.4715 1.4622 1.4601 1.4579 1.3608 1.0141 1.5336 1.5355 1.0959 1.0941 1.0954 1.1068 1.0952 1.0902 1.1049 1.0903 1.092 1.1054 1.0925 1.0926 1.5194 1.0938 1.0935 1.5314 1.095 1.0958 1.0948 1.0921 1.0931 -DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-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 10 6 6 8 7 7 12 6 6 6 7 7 14 3 3 3 5 5 16 4 4 4 5 5 18 3 3 3 21 21 22 3 3 3 24 24 25 1 1 1 11 11 27 10 10 10 13 13 29 1 1 2 11 11 11 31 31 32 1 3 3 3 4 4 4 5 5 5 5 5 5 6 6 6 6 6 6 7 7 7 7 7 7 8 8 8 8 8 8 9 9 9 9 9 9 10 10 10 10 10 10 11 11 11 11 11 11 12 12 12 13 13 13 13 13 13 12 8 9 9 12 20 20 7 14 15 14 15 15 5 16 17 16 17 17 5 18 19 18 19 19 21 22 23 22 23 23 24 25 26 25 26 26 11 27 28 27 28 28 13 29 30 29 30 30 2 4 4 31 32 33 32 33 33 116.1532 112.3237 110.9295 110.8428 120.5572 114.6925 116.3282 113.9799 107.3963 111.2516 108.6253 109.099 106.1499 114.7129 107.099 110.4761 108.2336 109.3487 106.615 113.1219 108.2059 107.4807 109.8679 110.2232 107.7655 112.3243 110.5935 109.5122 108.451 108.366 107.4471 112.62 109.7596 109.9251 108.1098 108.2079 108.0941 107.4359 109.0988 108.9783 111.619 111.7924 107.8655 113.1382 108.8966 107.5456 110.1447 110.1356 106.7474 123.8025 109.8798 126.315 110.959 110.6455 111.2057 107.8444 107.8731 108.1821 -DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-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 12 12 12 10 10 8 8 8 9 9 9 6 6 6 9 9 9 6 6 6 8 8 8 12 12 12 20 20 20 7 7 20 20 7 7 7 14 14 14 15 15 15 6 6 6 14 14 14 15 15 15 1 1 1 27 27 27 28 28 28 10 10 10 29 29 29 30 30 1 1 1 1 1 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 4 4 4 4 4 4 4 4 4 4 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 10 10 10 10 10 10 10 10 10 11 11 11 11 11 11 11 11 10 10 10 12 12 6 6 6 6 6 6 8 8 8 8 8 8 9 9 9 9 9 9 7 7 7 7 7 7 12 12 12 12 6 6 6 6 6 6 6 6 6 7 7 7 7 7 7 7 7 7 11 11 11 11 11 11 11 11 11 13 13 13 13 13 13 13 13 11 27 28 2 4 5 16 17 5 16 17 21 22 23 21 22 23 24 25 26 24 25 26 5 18 19 5 18 19 1 2 1 2 3 16 17 3 16 17 3 16 17 4 18 19 4 18 19 4 18 19 13 29 30 13 29 30 13 29 30 31 32 33 31 32 33 31 32 172.3346 51.1753 -66.3665 -0.9888 178.4391 68.0914 -171.7801 -56.0452 -167.239 -47.1106 68.6244 59.7805 -61.5372 -179.7636 -64.9369 173.7454 55.519 -62.1129 177.3904 58.6241 63.3907 -57.1061 -175.8723 -90.4478 147.5842 31.4591 56.5164 -65.4517 178.4232 164.2973 -16.2927 17.8458 -162.7443 59.3329 -60.1649 -175.9349 179.7084 60.2106 -55.5593 -64.5316 175.9706 60.2007 -67.2823 53.7499 172.3614 173.0334 -65.9344 52.6771 57.7357 178.7679 -62.6206 -62.9787 59.8501 175.1691 56.584 179.4128 -65.2683 177.5045 -59.6667 55.6523 -59.3265 60.3425 -179.402 178.5398 -61.7912 58.4643 61.0618 -179.2693 -DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-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 Grimme-D3 -0.0304079857 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 0 168.10849999999994 AuxInfo=1/0/N:5;6;7;8;9;10;11;12;13;3;4;1;2;14;15;16;17;18;19;20;21;22;23;24;25;26;27;28;29;30;31;32;33/rA:33nO0O0N0N0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:-1.7301,.2224,.4456;-1.2513,2.3,-.2863;2.2285,-1.0861,.13;.3022,1.0154,.7833;2.3319,1.3073,-.616;3.0809,.0319,-.2449;1.4437,1.8494,.5007;1.4765,-1.6061,-.9918;2.9924,-2.1343,.7692;-3.0651,.3499,-.027;-3.7637,-.9766,.1859;-.9162,1.2759,.2585;-3.1357,-2.1299,-.5845;3.0839,2.0631,-.8598;1.7385,1.1778,-1.5246;3.7218,.2575,.6133;3.7608,-.2455,-1.0697;2.0347,1.9582,1.4151;1.0819,2.8428,.2408;.5206,.0622,1.0372;2.1191,-1.9848,-1.8021;.8235,-.8422,-1.4118;.8375,-2.4261,-.6614;3.7597,-2.5772,.115;2.328,-2.937,1.0913;3.4946,-1.746,1.6561;-3.07,.6184,-1.0876;-3.5818,1.149,.5116;-3.7942,-1.2088,1.2535;-4.8035,-.8479,-.1265;-3.1129,-1.9231,-1.6559;-2.1123,-2.3172,-.2614;-3.7014,-3.0503,-.4402; 0.000000 2.254198 0.000000 4.181117 4.873131 0.000000 2.207510 2.282057 2.924593 0.000000 4.336324 3.732738 2.509070 2.482520 0.000000 4.863999 4.890160 1.455003 3.121773 1.524902 0.000000 3.566904 2.843434 3.061125 1.441650 1.526431 2.557338 0.000000 3.961241 4.816207 1.447216 3.376683 3.059557 2.411436 3.764226 0.000000 5.287805 6.227858 1.446035 4.142192 3.768239 2.393456 4.282607 2.382960 0.000000 1.421912 2.675810 5.487113 3.526776 5.512806 6.158053 4.780760 5.038114 6.595371 0.000000 2.375054 4.155942 5.993457 4.566944 6.558679 6.931923 5.933177 5.407669 6.879412 1.514338 0.000000 1.344367 1.207440 3.935021 1.351960 3.363918 4.216363 2.440573 3.948953 5.212264 2.357277 3.631506 0.000000 2.927489 4.823310 5.511326 4.856242 6.458381 6.590534 6.163079 4.659699 6.275907 2.542712 1.522436 4.151721 0.000000 5.316578 4.379291 3.410074 3.396318 1.093646 2.122231 2.141723 4.007987 4.503338 6.437216 7.564567 4.227359 7.506019 0.000000 4.101848 3.425082 2.846578 2.723192 1.093002 2.180121 2.154117 2.846478 4.219495 5.099227 6.151529 3.199445 5.965104 1.742383 0.000000 5.454513 5.450866 2.066053 3.506625 2.131833 1.094547 2.781470 3.330237 2.505361 6.817586 7.598558 4.761661 7.359296 2.415977 3.057936 0.000000 5.715253 5.675681 2.119858 4.121245 2.158345 1.104246 3.496236 2.659958 2.745831 6.930636 7.663482 5.094363 7.165772 2.414872 2.514423 1.756898 0.000000 4.257540 3.716099 3.310089 2.071144 2.153457 2.749711 1.094190 4.336961 4.252401 5.538421 6.614094 3.242059 6.887995 2.507378 3.055985 2.526166 3.742931 0.000000 3.849090 2.452787 4.094228 2.059514 2.157392 3.483241 1.088655 4.633303 5.357281 4.845971 6.170174 2.539225 6.572454 2.413935 2.513994 3.713639 4.293111 1.751924 0.000000 2.332612 3.146253 2.249089 1.010275 2.750314 2.863555 2.081830 2.795320 3.317600 3.751291 4.489893 2.035606 4.561096 3.764640 3.048067 3.235026 3.877153 2.455668 2.946331 0.000000 4.973916 5.658309 2.133747 4.357350 3.505753 2.723445 4.523362 1.101340 2.719753 5.956296 6.290931 4.908313 5.395989 4.266656 3.197480 3.664782 2.501414 5.089721 5.343690 3.848007 0.000000 3.332194 3.929935 2.100134 2.922407 2.743901 2.687291 3.359617 1.089181 3.336275 4.296438 4.859295 3.209769 4.244748 3.722181 2.220404 3.702702 3.016764 4.159389 4.046816 2.628104 1.771046 0.000000 3.851323 5.180728 2.087282 3.770617 4.021634 3.353781 4.471928 1.090787 2.602993 4.831081 4.898018 4.198445 3.985044 5.023753 3.813755 4.140672 3.669757 4.996746 5.351154 3.029426 1.771500 1.752706 0.000000 6.171218 7.004072 2.137307 5.030575 4.202579 2.719801 5.010710 2.716775 1.101284 7.427314 7.692074 6.060552 6.945184 4.789436 4.568705 2.878360 2.615374 5.023479 6.046632 4.278823 2.591840 3.736606 3.027268 0.000000 5.183355 6.491205 2.088066 4.451976 4.574833 3.341661 4.903148 2.614578 1.090662 6.414079 6.463169 5.382134 5.771688 5.420253 4.911454 3.517936 3.737256 4.914682 5.973450 3.502162 3.053257 3.594083 2.356851 1.769832 0.000000 5.712860 6.531929 2.089859 4.310207 3.979551 2.635518 4.297453 3.332251 1.090624 7.089052 7.445551 5.526289 7.009155 4.583416 4.663654 2.270066 3.122897 3.988780 5.374080 3.535141 3.729418 4.166956 3.590732 1.770960 1.760197 0.000000 2.074330 2.603365 5.697541 3.876831 5.466074 6.236023 4.940787 5.062453 6.912224 1.094031 2.155726 2.623610 2.794811 6.325274 4.860592 7.010798 6.885227 5.840953 4.893954 4.209085 5.849300 4.171067 4.971924 7.635611 6.821144 7.497481 0.000000 2.071692 2.718975 6.237031 3.895819 6.022339 6.797929 5.074044 5.952903 7.353046 1.093446 2.158156 2.680610 3.485930 6.866375 5.696673 7.358468 7.639252 5.745991 4.969128 4.276328 6.904644 5.202925 5.804150 8.242499 7.208200 7.730851 1.760865 0.000000 2.638464 4.598799 6.127774 4.684904 6.881471 7.145007 6.111792 5.742752 6.866542 2.144952 1.093003 3.930200 2.158740 7.904323 6.635033 7.684336 7.962554 6.635641 6.420013 4.503244 6.701169 5.344209 5.157695 7.760753 6.363551 7.319590 3.056744 2.480872 0.000000 3.304331 4.749016 7.040649 5.510689 7.469833 7.934188 6.833422 6.384464 7.951943 2.113470 1.093256 4.446344 2.152816 8.439286 6.989637 8.628357 8.637053 7.550604 6.956561 5.525205 7.212618 5.771854 5.882001 8.739324 7.530331 8.534726 2.465505 2.426390 1.747359 0.000000 3.306308 4.814160 5.693899 5.123238 6.415852 6.646514 6.296461 4.648005 6.572770 2.796843 2.170609 4.327187 1.091490 7.411030 5.759199 7.524405 7.099688 7.140996 6.626287 4.939272 5.234380 4.089376 4.104642 7.127129 6.178936 7.393213 2.604681 3.788912 3.072325 2.520555 0.000000 2.663719 4.696865 4.528945 4.245862 5.745780 5.699823 5.530503 3.730776 5.210979 2.841867 2.173531 3.822506 1.089403 6.822402 5.351550 6.436645 6.280015 6.187695 6.089376 3.778875 4.515422 3.481065 2.978865 5.889771 4.683037 5.953169 3.196521 3.843369 2.520348 3.069078 1.761022 0.000000 3.921838 5.886600 6.272638 5.835657 7.444444 7.452297 7.166825 5.403694 6.863571 3.483808 2.166967 5.192430 1.089860 8.506558 6.974522 8.194720 7.996655 7.837686 7.620448 5.449280 6.071856 5.127726 4.586954 7.496580 6.221885 7.607671 3.778519 4.307456 2.503656 2.482624 1.759217 1.759086 0.000000 C9H20N2O2 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 0 168.10849999999994 AuxInfo=1/0/N:5;6;7;8;9;10;11;12;13;3;4;1;2;14;15;16;17;18;19;20;21;22;23;24;25;26;27;28;29;30;31;32;33/rA:33nO0O0N0N0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:-1.7396,-.3003,-.4468;-1.2634,-2.3247,.4228;2.2107,1.0411,-.1679;.2992,-1.1054,-.7082;2.3123,-1.299,.7315;3.0619,-.0471,.2884;1.4396,-1.9151,-.3588;1.4432,1.6292,.909;2.9792,2.0491,-.8638;-3.0799,-.4024,.0167;-3.78,.9051,-.2894;-.9248,-1.3364,-.1826;-3.1652,2.1078,.4128;3.0635,-2.0346,1.0325;1.7072,-1.1137,1.6227;3.714,-.3249,-.5457;3.7306,.2852,1.1018;2.0423,-2.0801,-1.2571;1.0778,-2.8911,-.04;.5177,-.1696,-1.0201;2.0746,2.0617,1.701;.7875,.8913,1.3691;.8059,2.4238,.5188;3.7369,2.5361,-.2301;2.3164,2.8269,-1.2449;3.4935,1.6066,-1.7178;-3.0972,-.6023,1.0922;-3.5875,-1.2364,-.4757;-3.798,1.068,-1.3701;-4.8231,.7926,.0179;-3.155,1.9703,1.4955;-2.1384,2.278,.0908;-3.7318,3.0148,.2028; 1.0338250 0.4460254 0.3400710 -19.15329 -19.08323 -14.32139 -14.31997 -10.30426 -10.21927 -10.20179 -10.20048 -10.19526 -10.19321 -10.17341 -10.17053 -10.15869 -1.10804 -1.01198 -0.94584 -0.92452 -0.79996 -0.78181 -0.72026 -0.71695 -0.68764 -0.64277 -0.60552 -0.58125 -0.57471 -0.55608 -0.50360 -0.49472 -0.48815 -0.47742 -0.46895 -0.44965 -0.44267 -0.43604 -0.43170 -0.41626 -0.40610 -0.40215 -0.39095 -0.37914 -0.37708 -0.37644 -0.35581 -0.35291 -0.34745 -0.34428 -0.33755 -0.29575 -0.27604 -0.25479 -0.23293 -0.00525 0.00733 0.01187 0.01558 0.02448 0.02960 0.03355 0.04088 0.04338 0.04844 0.04967 0.05501 0.06013 0.06531 0.06943 0.07609 0.07696 0.08056 0.08929 0.09136 0.09203 0.09445 0.10515 0.11256 0.11469 0.11952 0.12222 0.12392 0.13192 0.13459 0.13526 0.14359 0.14995 0.16323 0.16527 0.17047 0.17390 0.18059 0.18425 0.18879 0.19335 0.19700 0.20032 0.20559 0.20899 0.21317 0.21805 0.22120 0.22299 0.22430 0.23079 0.23187 0.23950 0.24093 0.24472 0.24867 0.25375 0.25961 0.26369 0.26710 0.26865 0.27506 0.27953 0.28031 0.28724 0.29361 0.30219 0.30768 0.31151 0.31458 0.31535 0.32043 0.33507 0.33741 0.34424 0.34622 0.36593 0.36951 0.37842 0.38679 0.38921 0.40173 0.40629 0.41825 0.44085 0.44763 0.45667 0.46498 0.47545 0.47950 0.49759 0.51150 0.51760 0.52229 0.53107 0.54024 0.55735 0.56060 0.56532 0.57365 0.58431 0.59005 0.59430 0.61077 0.62001 0.62268 0.63304 0.64483 0.65019 0.65831 0.66441 0.67004 0.67694 0.68761 0.69417 0.69968 0.70508 0.70558 0.71581 0.71921 0.72661 0.73284 0.73730 0.74066 0.74558 0.75567 0.75611 0.76951 0.77755 0.79224 0.80411 0.81460 0.83391 0.86625 0.87569 0.89218 0.91187 0.93238 0.93846 0.95687 0.96717 0.97955 1.00105 1.02251 1.03264 1.05708 1.06160 1.08995 1.09386 1.10430 1.13728 1.14241 1.16025 1.17984 1.19304 1.19679 1.21308 1.22989 1.23690 1.26827 1.28429 1.28945 1.32196 1.34317 1.35856 1.38664 1.39846 1.40618 1.44247 1.45379 1.45970 1.47340 1.48380 1.49817 1.51248 1.51618 1.52839 1.53800 1.54729 1.55342 1.55858 1.56387 1.58188 1.59647 1.60346 1.61051 1.61198 1.62361 1.62819 1.63191 1.64730 1.65440 1.65829 1.66982 1.67262 1.68634 1.68914 1.69652 1.70696 1.71665 1.72287 1.74124 1.75239 1.76495 1.77083 1.77773 1.79127 1.80331 1.81177 1.81335 1.81975 1.83934 1.84571 1.86785 1.87979 1.88030 1.91669 1.94253 1.98186 2.00207 2.01611 2.02556 2.04044 2.06440 2.06948 2.09378 2.10727 2.11187 2.12031 2.12769 2.15931 2.17027 2.17120 2.18723 2.21229 2.25830 2.25918 2.27940 2.28885 2.30522 2.32052 2.33495 2.35423 2.39647 2.42494 2.44502 2.44808 2.45634 2.45675 2.47569 2.48550 2.49669 2.50678 2.51331 2.53135 2.53414 2.54419 2.55112 2.56995 2.58318 2.59997 2.60856 2.62531 2.63071 2.63497 2.63736 2.65051 2.65231 2.67203 2.68489 2.69445 2.71627 2.72487 2.73115 2.74720 2.75753 2.75944 2.77239 2.79515 2.81151 2.81488 2.83127 2.84639 2.86458 2.87259 2.88794 2.91405 2.92824 2.94649 2.95403 2.99251 3.00890 3.03293 3.07012 3.07690 3.10133 3.12408 3.13109 3.17161 3.21101 3.25870 3.36500 3.36923 3.39217 3.40997 3.45176 3.54508 3.61262 3.65515 3.69822 3.73103 3.76379 3.77757 3.78874 3.79527 3.81484 3.81707 3.82608 3.82803 3.84331 3.84708 3.88082 3.88858 4.04073 4.09429 4.11164 4.12718 4.20061 4.24437 4.34653 4.36282 4.86120 4.88930 4.89693 4.97469 5.03936 5.10597 5.25770 5.45047 5.74788 5.90672 23.85924 23.86358 23.88984 23.91843 23.92346 23.94190 23.94872 23.97463 23.99338 35.53253 35.63444 49.93447 50.05848 1-A. 1.8340 2.7337 -0.2746 3.3033 -73.4371 -88.9681 -83.4929 -5.2294 -0.2877 1.5460 8.5289 -7.0021 -1.5268 -5.2294 -0.2877 1.5460 -23.5665 13.8521 -2.3977 16.4501 -2.1653 -5.9684 -0.5397 -0.8622 -9.9095 -4.7888 -2994.2408 -1321.8385 -309.5699 -2.2170 -17.4107 -34.1333 2.9695 -8.0872 -5.2520 -734.2001 -563.7278 -268.8487 -0.8395 10.3096 4.4028 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 0 168.10849999999994 AuxInfo=1/0/N:5;6;7;8;9;10;11;12;13;3;4;1;2;14;15;16;17;18;19;20;21;22;23;24;25;26;27;28;29;30;31;32;33/rA:33nO0O0N0N0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:-1.6876,.2348,.5057;-1.2051,2.2887,-.3471;2.1397,-1.0787,.158;.3323,1.0996,.8826;2.3116,1.3215,-.6255;3.0288,.0143,-.2667;1.4857,1.9162,.5243;1.3042,-1.5719,-.936;2.903,-2.1678,.7604;-3.0194,.3256,-.0424;-3.6832,-1.0277,.1477;-.873,1.3046,.285;-2.9805,-2.155,-.6145;3.0794,2.0472,-.9167;1.667,1.193,-1.5002;3.712,.2154,.5656;3.6558,-.3063,-1.1205;2.1142,2.0298,1.414;1.1152,2.9042,.2504;.5526,.1422,1.1339;1.9032,-1.9606,-1.7791;.6553,-.7796,-1.3101;.662,-2.3759,-.5706;3.6175,-2.628,.0535;2.2217,-2.947,1.1101;3.465,-1.7972,1.6209;-2.9535,.5972,-1.0999;-3.5633,1.1208,.4749;-3.7165,-1.2594,1.2174;-4.7223,-.9361,-.188;-2.9627,-1.949,-1.6896;-1.9474,-2.2622,-.2771;-3.4893,-3.1107,-.4644; 0.000000 2.275639 0.000000 4.061285 4.773060 0.000000 2.229345 2.299960 2.921797 0.000000 4.295825 3.657940 2.530660 2.498289 0.000000 4.784272 4.806833 1.471498 3.125711 1.533621 0.000000 3.591291 2.852897 3.087204 1.457926 1.535491 2.573682 0.000000 3.780642 4.641922 1.462186 3.374758 3.079402 2.436764 3.785710 0.000000 5.187592 6.161506 1.460085 4.159332 3.800775 2.414982 4.329360 2.406048 0.000000 1.443054 2.690351 5.350570 3.562118 5.454509 6.060364 4.811167 4.805511 6.475894 0.000000 2.388463 4.169466 5.823144 4.603302 6.484974 6.805036 5.960427 5.132742 6.712225 1.519352 0.000000 1.362683 1.215814 3.843500 1.360847 3.312234 4.146466 2.448427 3.808572 5.151926 2.381765 3.654644 0.000000 2.938932 4.792660 5.288826 4.879407 6.331889 6.398310 6.149672 4.336194 6.042069 2.546026 1.531410 4.149665 0.000000 5.294570 4.329016 3.436434 3.417941 1.095887 2.134933 2.152569 4.031024 4.539838 6.397201 7.504780 4.197261 7.380564 0.000000 4.024254 3.283150 2.851901 2.732723 1.094099 2.182986 2.157352 2.845047 4.234740 4.983948 6.022602 3.106526 5.795932 1.750724 0.000000 5.399975 5.413864 2.076806 3.507843 2.145512 1.095417 2.801870 3.353601 2.524359 6.759741 7.510655 4.720952 7.197336 2.439811 3.066770 0.000000 5.611511 5.564259 2.128296 4.127349 2.168324 1.106760 3.514804 2.676864 2.751291 6.791200 7.482659 5.008038 6.907586 2.431595 2.519434 1.765838 0.000000 4.301251 3.766531 3.352720 2.079124 2.168006 2.779110 1.095204 4.376109 4.320803 5.601726 6.675512 3.274733 6.898060 2.522744 3.064718 2.562157 3.775904 0.000000 3.878966 2.473808 4.113575 2.066165 2.168795 3.504444 1.090224 4.634475 5.402042 4.881543 6.204464 2.551958 6.566429 2.440292 2.509408 3.751332 4.317594 1.765418 0.000000 2.328494 3.144928 2.227515 1.014071 2.753232 2.847692 2.095023 2.790625 3.316663 3.765231 4.503798 2.025916 4.562602 3.770767 3.047006 3.210932 3.861768 2.465718 2.953899 0.000000 4.788912 5.456094 2.141500 4.349466 3.502847 2.730301 4.528724 1.104866 2.737075 5.698713 5.982536 4.757050 5.024437 4.264949 3.174746 3.674869 2.498446 5.115055 5.329771 3.838200 0.000000 3.132944 3.715278 2.109048 2.905901 2.761668 2.711532 3.364821 1.090253 3.356528 4.041347 4.583626 3.037146 3.949038 3.744604 2.225065 3.721817 3.043518 4.176374 4.027085 2.614155 1.780974 0.000000 3.673502 5.029391 2.096950 3.781551 4.049105 3.377425 4.505471 1.092038 2.614753 4.596771 4.605909 4.078571 3.649489 5.052502 3.822491 4.160370 3.680855 5.045563 5.362758 3.042765 1.781464 1.759302 0.000000 6.045176 6.898732 2.143682 5.037428 4.214870 2.725933 5.041391 2.728716 1.105424 7.265136 7.474662 5.973608 6.648620 4.805035 4.562742 2.890746 2.601927 5.079958 6.075034 4.270259 2.596673 3.748411 3.031184 0.000000 5.076619 6.424934 2.098587 4.471845 4.608779 3.363938 4.953332 2.630492 1.092534 6.285566 6.283195 5.323056 5.537599 5.457647 4.925558 3.538181 3.742398 4.987244 6.016695 3.511417 3.069522 3.606767 2.362957 1.779439 0.000000 5.649919 6.509802 2.100700 4.330170 4.012837 2.652279 4.348417 3.355240 1.092599 7.022853 7.338907 5.497634 6.831527 4.622484 4.681361 2.285905 3.126416 4.063597 5.431653 3.532730 3.745165 4.185783 3.604781 1.780595 1.768863 0.000000 2.076477 2.546449 5.507399 3.870303 5.335825 6.068101 4.907588 4.781218 6.738333 1.093815 2.174730 2.597466 2.794828 6.207432 4.675896 6.881047 6.670822 5.835546 4.868205 4.182108 5.530956 3.868274 4.710812 7.410184 6.650489 7.371098 0.000000 2.074716 2.756959 6.120674 3.916970 5.980497 6.725364 5.111588 5.738835 7.260199 1.093483 2.176626 2.703321 3.501003 6.849917 5.591276 7.332046 7.529817 5.826050 5.011926 4.281732 6.667738 4.959342 5.583332 8.111469 7.100553 7.695797 1.768052 0.000000 2.618283 4.619866 5.953953 4.697813 6.811385 7.023033 6.134112 5.471941 6.697155 2.141306 1.095040 3.940688 2.167807 7.853155 6.510048 7.601475 7.792596 6.697312 6.450974 4.494080 6.407135 5.072574 4.859473 7.550841 6.174300 7.212861 3.065769 2.497979 0.000000 3.325931 4.774417 6.872212 5.553348 7.400302 7.809552 6.868977 6.105986 7.782207 2.124401 1.095816 4.479073 2.168273 8.384418 6.861343 8.545892 8.453368 7.622413 7.001169 5.543975 6.890487 5.495697 5.586635 8.513167 7.345003 8.428878 2.512240 2.452234 1.758257 0.000000 3.348748 4.780099 5.495940 5.173751 6.296582 6.463515 6.295199 4.349348 6.360587 2.809025 2.177934 4.341909 1.094850 7.285214 5.598405 7.370391 6.843034 7.158089 6.629202 4.970242 4.866730 3.821188 3.817453 6.840955 5.976014 7.231734 2.613665 3.803891 3.081307 2.525291 0.000000 2.629620 4.611516 4.277139 4.224159 5.577011 5.472138 5.466883 3.388749 4.960999 2.810896 2.171951 3.767274 1.092133 6.651952 5.147595 6.235167 5.994367 6.146295 6.028990 3.744608 4.144142 3.168454 2.628285 5.586684 4.446869 5.754324 3.140952 3.823774 2.523630 3.076824 1.767560 0.000000 3.921648 5.863825 6.016759 5.843434 7.302092 7.231131 7.141249 5.056477 6.576490 3.493908 2.179666 5.186695 1.093053 8.363982 6.795706 7.998902 7.703710 7.832736 7.608600 5.428915 5.668306 4.829768 4.217112 7.141937 5.926299 7.378032 3.799983 4.335135 2.511463 2.515133 1.768625 1.769891 0.000000 C9H20N2O2 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 0 168.10849999999994 AuxInfo=1/0/N:5;6;7;8;9;10;11;12;13;3;4;1;2;14;15;16;17;18;19;20;21;22;23;24;25;26;27;28;29;30;31;32;33/rA:33nO0O0N0N0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:-1.691,-.3448,-.5095;-1.1798,-2.3272,.4841;2.0983,1.0783,-.1784;.3547,-1.1844,-.7923;2.3083,-1.2613,.7629;3.0031,.0365,.3327;1.5188,-1.9485,-.3605;1.2306,1.6215,.8656;2.8489,2.1438,-.8366;-3.0311,-.4313,.0189;-3.721,.8909,-.2711;-.8572,-1.3786,-.2047;-3.0589,2.0814,.4285;3.0863,-1.9483,1.1148;1.6439,-1.0917,1.6154;3.7069,-.2021,-.472;3.6058,.4264,1.1751;2.1671,-2.1047,-1.2293;1.1651,-2.9252,-.0295;.5585,-.2404,-1.1015;1.804,2.0781,1.6923;.5923,.8401,1.2787;.578,2.3849,.4368;3.5388,2.6656,-.1483;2.1574,2.8825,-1.2488;3.4359,1.7315,-1.6608;-2.98,-.6322,1.0929;-3.5468,-1.2709,-.4552;-3.7383,1.0519,-1.3541;-4.7643,.7967,.0508;-3.0577,1.946,1.515;-2.0219,2.1908,.1038;-3.5858,3.0131,.2072; 1.0072035 0.4682451 0.3511498 Precomputing XC quadrature grid using IXCGrd= 4 IRadAn= 5 IRanWt= -1 IRanGd= 0 AccXCQ= 0.00D+00. Generated NRdTot= 0 NPtTot= 0 NUsed= 0 NTot= 32 NSgBfM= 419 419 419 419 419 MxSgAt= 33 MxSgA2= 33. 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. One-electron integral symmetry used in STVInt NBasis= 406 RedAO= T EigKep= 2.02D-05 NBF= 406 NBsUse= 406 1.00D-06 EigRej= -1.00D+00 NBFU= 406 Precomputing XC quadrature grid using IXCGrd= 4 IRadAn= 5 IRanWt= -1 IRanGd= 0 AccXCQ= 0.00D+00. Generated NRdTot= 0 NPtTot= 0 NUsed= 0 NTot= 32 NSgBfM= 419 419 419 419 419 MxSgAt= 33 MxSgA2= 33. 1 7.21558346e-01 1.07550518e+00 -1.08022026e-01 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 8 8 7 7 6 6 6 6 6 6 6 6 6 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 -0.000721741 -0.011835616 0.004417545 -0.004684360 0.012945924 -0.007759565 -0.002663875 0.000393167 0.002867935 0.002196347 -0.002870501 0.004692205 0.001281574 0.002231515 -0.003787206 0.005538984 0.004848363 -0.000033363 0.004844900 0.006868339 0.001147610 -0.007186702 -0.002566452 -0.005441348 0.002440569 -0.005320142 0.006230319 -0.011390556 0.001288422 -0.003151263 -0.002815007 -0.000752717 0.001453601 0.006129757 -0.000493561 0.003031772 0.001089647 -0.003088888 -0.001393107 0.001104615 0.001360574 -0.000240116 -0.000989326 -0.000754122 -0.000405492 0.000336869 -0.000030985 0.000958350 0.000837183 -0.001336909 -0.001751765 0.000877720 -0.000373635 0.001512195 -0.001839834 0.000593783 -0.000648252 -0.000985829 -0.002424851 -0.000272690 0.002550184 -0.000599414 -0.001428952 -0.000573419 0.001216916 0.000029655 -0.000707326 -0.000981091 0.000778114 0.001735457 -0.000417730 -0.002701063 -0.001179405 -0.001155116 0.000277188 0.000719901 0.000852324 0.001268860 0.002435818 0.000762857 -0.000544687 0.001625996 0.001323770 0.000834223 0.001082190 0.000225487 0.001698726 -0.001881592 0.000447986 -0.000684441 0.000066646 0.000858424 -0.002257621 0.002047609 0.000801405 0.000941884 -0.001322993 -0.002017527 0.000360750 0.012945924 0.003291321 (Enter /usr/local/gaussian/gaussian16/g16/l716.exe) Closed 1 1 1 -615.186830893587 -615.186831428951 -0.000000535364 -615.186831428755 0.000000000196 -615.186831436245 -0.000000007490 -615.186831436405 -0.000000000160 -615.186831436434 -0.000000000029 -615.186831436449 -0.000000000015 -615.186831436 7 6.125168068387e+02 -3.198637112785e+03 1.088571847248e+03 Using DIIS extrapolation, IDIIS= 1040. NGot= 11324620800 LenX= 11324261300 LenY= 11324085298 Requested convergence on RMS density matrix=1.00D-08 within 128 cycles. Requested convergence on MAX density matrix=1.00D-06. Requested convergence on energy=1.00D-06. No special actions if energy rises. Fock matrices will be formed incrementally for 20 cycles. (Enter /usr/local/gaussian/gaussian16/g16/l716.exe) PT14314.100S 2022-12-16T13:40:34.000 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 O O N N C C C C C C C C C H H H H H H H H H H H H H H H H H H H H -0.124418 -0.353138 -0.050328 -0.254746 -0.203970 -0.336411 -0.293655 -0.413778 -0.297424 -0.036455 -0.363122 0.111493 -0.423777 0.148210 0.152464 0.138465 0.133539 0.140444 0.187169 0.308883 0.129278 0.144170 0.140939 0.121023 0.135787 0.136661 0.155286 0.158630 0.151425 0.144355 0.133648 0.142312 0.137039 -0.00000 -19.15235 -19.08635 -14.32271 -14.32123 -10.30673 -10.22065 -10.20417 -10.20323 -10.19704 -10.19465 -10.17598 -10.17303 -10.16093 -1.09826 -1.00705 -0.93840 -0.91975 -0.79655 -0.77923 -0.71761 -0.71300 -0.68577 -0.64067 -0.60319 -0.58078 -0.57125 -0.55169 -0.49990 -0.49124 -0.48442 -0.47409 -0.46440 -0.44911 -0.44089 -0.43531 -0.42935 -0.41627 -0.40571 -0.40203 -0.39012 -0.37977 -0.37663 -0.37482 -0.35522 -0.35405 -0.34859 -0.34498 -0.33846 -0.29537 -0.27706 -0.25658 -0.23241 -0.00509 0.00774 0.01201 0.01602 0.02505 0.02962 0.03335 0.04010 0.04310 0.04689 0.04961 0.05477 0.05688 0.06525 0.06946 0.07505 0.07579 0.08046 0.08902 0.09212 0.09364 0.09584 0.10736 0.11210 0.11404 0.11912 0.12167 0.12439 0.13252 0.13426 0.13612 0.14122 0.14993 0.16156 0.16629 0.17001 0.17384 0.18063 0.18149 0.18808 0.19264 0.19584 0.20013 0.20318 0.20668 0.21117 0.21677 0.22091 0.22313 0.22485 0.22782 0.23085 0.23618 0.23831 0.24462 0.24723 0.25062 0.25778 0.26097 0.26498 0.26639 0.27491 0.27764 0.27993 0.28456 0.29121 0.29730 0.30368 0.30906 0.31232 0.31405 0.32528 0.33387 0.33728 0.33853 0.34259 0.36581 0.36907 0.37398 0.38557 0.38854 0.40317 0.40587 0.41823 0.43351 0.44781 0.45788 0.46414 0.47578 0.48296 0.49379 0.51461 0.51736 0.51974 0.52923 0.54305 0.55312 0.55908 0.56455 0.57263 0.57963 0.59083 0.59336 0.61482 0.61819 0.62101 0.63321 0.64496 0.65286 0.65627 0.66159 0.66836 0.67606 0.68544 0.69078 0.69611 0.70110 0.70771 0.71076 0.72013 0.73053 0.73314 0.73563 0.73894 0.74537 0.75063 0.75564 0.76750 0.77599 0.78996 0.80210 0.81479 0.83268 0.86214 0.87346 0.90473 0.91328 0.92593 0.93340 0.96646 0.97093 0.97830 1.00391 1.02727 1.03340 1.05079 1.06717 1.09282 1.09516 1.10764 1.12825 1.14162 1.15897 1.18523 1.19675 1.19995 1.21355 1.23488 1.24449 1.26387 1.28376 1.29981 1.31554 1.34200 1.36244 1.38505 1.39973 1.40444 1.43767 1.45285 1.45974 1.47427 1.48567 1.49976 1.50906 1.51607 1.53000 1.53902 1.54526 1.54853 1.55746 1.56688 1.57744 1.59066 1.60255 1.61195 1.61259 1.61850 1.62607 1.62642 1.64157 1.64842 1.65707 1.66325 1.66958 1.67915 1.68323 1.69164 1.69976 1.71322 1.71781 1.73377 1.75297 1.75842 1.77125 1.77539 1.78774 1.79739 1.80248 1.80894 1.81402 1.83264 1.84335 1.85706 1.87210 1.88046 1.91026 1.93703 1.97176 1.98900 2.00873 2.01781 2.03679 2.05688 2.06532 2.08357 2.09748 2.10046 2.11541 2.12477 2.15008 2.16506 2.17051 2.17856 2.20935 2.24847 2.25702 2.27023 2.28639 2.29990 2.31315 2.33287 2.35134 2.39494 2.41970 2.44308 2.44457 2.44905 2.46049 2.47670 2.48249 2.49846 2.50900 2.51340 2.52698 2.53215 2.54350 2.54969 2.56876 2.57381 2.59127 2.59930 2.62410 2.62713 2.63692 2.63812 2.64680 2.65284 2.66995 2.68251 2.68797 2.70876 2.71644 2.72353 2.74688 2.74728 2.75363 2.76727 2.78828 2.80065 2.80804 2.82336 2.83926 2.85831 2.86948 2.87523 2.89790 2.91849 2.93362 2.94820 2.97493 2.99711 3.02455 3.06166 3.06586 3.09201 3.10700 3.11378 3.16038 3.19203 3.23977 3.33284 3.35202 3.36857 3.39134 3.43734 3.52535 3.59873 3.62637 3.67398 3.71266 3.75728 3.77091 3.78376 3.79084 3.80884 3.81296 3.81868 3.82265 3.83855 3.84118 3.87232 3.87693 4.04974 4.07607 4.09196 4.11676 4.18829 4.22736 4.32920 4.34588 4.84251 4.85738 4.86272 4.93793 5.04784 5.10768 5.24751 5.43115 5.71405 5.88711 23.84077 23.85144 23.86267 23.90450 23.90914 23.92995 23.93888 23.96496 23.98173 35.51759 35.61599 49.92932 50.04398 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 O O N N C C C C C C C C C H H H H H H H H H H H H H H H H H H H H -0.136215 -0.341819 -0.067538 -0.218237 -0.193456 -0.334345 -0.291304 -0.420168 -0.295912 -0.041094 -0.357671 0.069119 -0.428310 0.148602 0.155006 0.139132 0.134570 0.141566 0.185785 0.302904 0.130452 0.147600 0.140620 0.122044 0.137481 0.137497 0.158507 0.161398 0.153134 0.145508 0.135292 0.141699 0.138153 -0.00000 6.99383112e-01 1.08514243e+00 -7.56896525e-02 ./ancestor::cml:module[@dictRef='cc:finalization']/cml:molecule[@id='mol9999'] 1.7777 2.7582 -0.1924 3.2870 -72.9789 -88.7951 -84.1156 -4.9557 -0.2765 1.5406 8.9843 -6.8319 -2.1524 -4.9557 -0.2765 1.5406 -21.4719 13.1029 -2.0547 15.2264 -3.5911 -5.6205 0.0236 -0.0306 -10.6075 -4.9948 -2833.1194 -1346.6172 -317.6006 -0.8423 -17.2788 -32.4361 3.3238 -7.6629 -6.5802 -707.7801 -537.9915 -275.7178 -0.9011 11.1177 3.8421 (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A) (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A) (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A) (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A) 0 1-A -615.1868314 3.709E-9 2.717E-6 6.4901999,-5.0441458,-1.4460541,3.9062097,0.582259,0.9961505 C01 [X(C9H20N2O2)] 0.7232716 -1.0718753 0.019007 -0.000001447 0.000005504 -0.000006908 -0.000001384 0.000002628 -0.000001314 -0.000001376 -0.000000241 -0.000000795 -0.000001745 -0.000000189 0.000008356 -0.000001350 0.000003114 -0.000003241 0.000003396 -0.000002263 0.000002727 0.000005685 0.000007967 0.000002244 -0.000000097 0.000001609 0.000001796 -0.000000345 0.000001222 0.000002675 0.000007993 0.000003003 0.000001993 -0.000007134 -0.000002240 0.000004145 -0.000002686 -0.000009002 0.000004237 0.000003450 -0.000005927 -0.000001564 0.000000707 -0.000001327 0.000002621 -0.000000525 -0.000000561 0.000002046 -0.000001028 -0.000000547 0.000000121 -0.000001124 0.000001797 -0.000000131 -0.000001674 -0.000001834 -0.000000463 -0.000001014 -0.000002172 -0.000000893 -0.000000768 -0.000003038 -0.000002980 0.000000555 0.000000431 -0.000000792 0.000000640 0.000000792 -0.000000287 0.000001468 0.000000356 -0.000001072 0.000000322 -0.000000678 -0.000000311 0.000000074 -0.000000280 -0.000001227 -0.000000053 -0.000000458 -0.000001057 -0.000001787 -0.000001016 -0.000000906 -0.000000024 -0.000000568 -0.000000373 0.000001033 0.000000028 -0.000002283 0.000001587 -0.000000410 -0.000002281 0.000000956 0.000001474 -0.000000826 -0.000001719 0.000001090 -0.000001010 -0.000000586 0.000001735 -0.000002246 168.10849999999994 AuxInfo=1/0/N:5;6;7;8;9;10;11;12;13;3;4;1;2;14;15;16;17;18;19;20;21;22;23;24;25;26;27;28;29;30;31;32;33/rA:33nO0O0N0N0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:-1.6876,.2348,.5057;-1.2051,2.2887,-.3471;2.1397,-1.0787,.1579;.3323,1.0996,.8826;2.3116,1.3215,-.6255;3.0288,.0143,-.2667;1.4857,1.9162,.5243;1.3042,-1.5719,-.936;2.903,-2.1678,.7604;-3.0194,.3256,-.0424;-3.6832,-1.0277,.1477;-.873,1.3046,.285;-2.9805,-2.155,-.6145;3.0794,2.0472,-.9167;1.667,1.193,-1.5002;3.712,.2154,.5656;3.6558,-.3063,-1.1205;2.1142,2.0298,1.414;1.1152,2.9042,.2504;.5526,.1422,1.1339;1.9032,-1.9606,-1.7791;.6553,-.7796,-1.3101;.662,-2.3759,-.5706;3.6175,-2.628,.0535;2.2217,-2.947,1.1101;3.465,-1.7972,1.6209;-2.9535,.5972,-1.0999;-3.5633,1.1208,.4749;-3.7165,-1.2594,1.2174;-4.7223,-.9361,-.188;-2.9627,-1.949,-1.6896;-1.9474,-2.2622,-.2771;-3.4893,-3.1107,-.4644; Gaussian 16 GINC-FUENTIDUENYA APULGAR Optimization propamocarb CONF32 gas EM64L-G16RevC.01 93 C1[X(C9H20N2O2)] RB3LYP 6-311+G(d,p) Freq #P Geom=AllCheck Guess=TCheck SCRF=Check GenChk RB3LYP/6-311+G(d,p) Freq 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 0 168.10849999999994 AuxInfo=1/0/N:5;6;7;8;9;10;11;12;13;3;4;1;2;14;15;16;17;18;19;20;21;22;23;24;25;26;27;28;29;30;31;32;33/rA:33nO0O0N0N0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:-1.6876,.2348,.5057;-1.2051,2.2887,-.3471;2.1397,-1.0787,.158;.3323,1.0996,.8826;2.3116,1.3215,-.6255;3.0288,.0143,-.2667;1.4857,1.9162,.5243;1.3042,-1.5719,-.936;2.903,-2.1678,.7604;-3.0194,.3256,-.0424;-3.6832,-1.0277,.1477;-.873,1.3046,.285;-2.9805,-2.155,-.6145;3.0794,2.0472,-.9167;1.667,1.193,-1.5002;3.712,.2154,.5656;3.6558,-.3063,-1.1205;2.1142,2.0298,1.414;1.1152,2.9042,.2504;.5526,.1422,1.1339;1.9032,-1.9606,-1.7791;.6553,-.7796,-1.3101;.662,-2.3759,-.5706;3.6175,-2.628,.0535;2.2217,-2.947,1.1101;3.465,-1.7972,1.6209;-2.9535,.5972,-1.0999;-3.5633,1.1208,.4749;-3.7165,-1.2594,1.2174;-4.7223,-.9361,-.188;-2.9627,-1.949,-1.6896;-1.9474,-2.2622,-.2771;-3.4893,-3.1107,-.4644; Optimization propamocarb CONF32 gas Redundant internal coordinates found in file. (old form). 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 16 16 14 14 12 12 12 12 12 12 12 12 12 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 15.9949146 15.9949146 14.0030740 14.0030740 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 0 0 2 2 0 0 0 0 0 0 0 0 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5.6000000 5.6000000 4.5500000 4.5500000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 (Enter /usr/local/gaussian/gaussian16/g16/l101.exe) Structure from the checkpoint file: "/home/apulgar/almacen/pesticidas/F2-F4/propamocarb/gaussian/gas/CONF32/opt-b3lyp-pople.chk" Berny optimization. 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 1 1 2 3 3 3 4 4 4 5 5 5 5 6 6 7 7 8 8 8 9 9 9 10 10 10 11 11 11 13 13 13 10 12 12 6 8 9 7 12 20 6 7 14 15 16 17 18 19 21 22 23 24 25 26 11 27 28 13 29 30 31 32 33 1.4431 1.3627 1.2158 1.4715 1.4622 1.4601 1.4579 1.3608 1.0141 1.5336 1.5355 1.0959 1.0941 1.0954 1.1068 1.0952 1.0902 1.1049 1.0903 1.092 1.1054 1.0925 1.0926 1.5194 1.0938 1.0935 1.5314 1.095 1.0958 1.0948 1.0921 1.0931 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|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 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 10 6 6 8 7 7 12 6 6 6 7 7 14 3 3 3 5 5 16 4 4 4 5 5 18 3 3 3 21 21 22 3 3 3 24 24 25 1 1 1 11 11 27 10 10 10 13 13 29 1 1 2 11 11 11 31 31 32 1 3 3 3 4 4 4 5 5 5 5 5 5 6 6 6 6 6 6 7 7 7 7 7 7 8 8 8 8 8 8 9 9 9 9 9 9 10 10 10 10 10 10 11 11 11 11 11 11 12 12 12 13 13 13 13 13 13 12 8 9 9 12 20 20 7 14 15 14 15 15 5 16 17 16 17 17 5 18 19 18 19 19 21 22 23 22 23 23 24 25 26 25 26 26 11 27 28 27 28 28 13 29 30 29 30 30 2 4 4 31 32 33 32 33 33 116.1532 112.3237 110.9295 110.8428 120.5572 114.6925 116.3282 113.9799 107.3963 111.2516 108.6253 109.099 106.1499 114.7129 107.099 110.4761 108.2336 109.3487 106.615 113.1219 108.2059 107.4807 109.8679 110.2232 107.7655 112.3243 110.5935 109.5122 108.451 108.366 107.4471 112.62 109.7596 109.9251 108.1098 108.2079 108.0941 107.4359 109.0988 108.9783 111.619 111.7924 107.8655 113.1382 108.8966 107.5456 110.1447 110.1356 106.7474 123.8025 109.8798 126.315 110.959 110.6455 111.2057 107.8444 107.8731 108.1821 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|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|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 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 12 12 12 10 10 8 8 8 9 9 9 6 6 6 9 9 9 6 6 6 8 8 8 12 12 12 20 20 20 7 7 20 20 7 7 7 14 14 14 15 15 15 6 6 6 14 14 14 15 15 15 1 1 1 27 27 27 28 28 28 10 10 10 29 29 29 30 30 30 1 1 1 1 1 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 4 4 4 4 4 4 4 4 4 4 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 10 10 10 10 10 10 10 10 10 11 11 11 11 11 11 11 11 11 10 10 10 12 12 6 6 6 6 6 6 8 8 8 8 8 8 9 9 9 9 9 9 7 7 7 7 7 7 12 12 12 12 6 6 6 6 6 6 6 6 6 7 7 7 7 7 7 7 7 7 11 11 11 11 11 11 11 11 11 13 13 13 13 13 13 13 13 13 11 27 28 2 4 5 16 17 5 16 17 21 22 23 21 22 23 24 25 26 24 25 26 5 18 19 5 18 19 1 2 1 2 3 16 17 3 16 17 3 16 17 4 18 19 4 18 19 4 18 19 13 29 30 13 29 30 13 29 30 31 32 33 31 32 33 31 32 33 172.3346 51.1753 -66.3665 -0.9888 178.4391 68.0914 -171.7801 -56.0452 -167.239 -47.1106 68.6244 59.7805 -61.5372 -179.7636 -64.9369 173.7454 55.519 -62.1129 177.3904 58.6241 63.3907 -57.1061 -175.8723 -90.4478 147.5842 31.4591 56.5164 -65.4517 178.4232 164.2973 -16.2927 17.8458 -162.7443 59.3329 -60.1649 -175.9349 179.7084 60.2106 -55.5593 -64.5316 175.9706 60.2007 -67.2823 53.7499 172.3614 173.0334 -65.9344 52.6771 57.7357 178.7679 -62.6206 -62.9787 59.8501 175.1691 56.584 179.4128 -65.2683 177.5045 -59.6667 55.6523 -59.3265 60.3425 -179.402 178.5398 -61.7912 58.4643 61.0618 -179.2693 -59.0137 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|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|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. 0.00179 0.00232 0.00241 0.00373 0.00384 0.00510 0.00558 0.00569 0.00673 0.00972 0.01774 0.01882 0.02609 0.03541 0.03861 0.03870 0.04049 0.04433 0.04538 0.04614 0.04623 0.04736 0.04787 0.05575 0.06160 0.06198 0.06223 0.06276 0.06372 0.07212 0.07222 0.08195 0.08402 0.08873 0.09506 0.10634 0.10677 0.11979 0.12165 0.12469 0.12811 0.13005 0.13261 0.14186 0.14321 0.15863 0.16147 0.16284 0.16684 0.17042 0.19386 0.20217 0.20771 0.21547 0.21954 0.22714 0.23472 0.23717 0.24452 0.26387 0.27258 0.28984 0.29646 0.30031 0.30087 0.30464 0.31580 0.32216 0.32375 0.32544 0.32648 0.32725 0.33005 0.33078 0.33243 0.33371 0.33394 0.33450 0.33635 0.33669 0.33756 0.34061 0.34310 0.34875 0.35528 0.35851 0.36285 0.36387 0.44317 0.45178 0.50223 0.51473 0.82045 Angle between quadratic step and forces= 70.86 degrees. 1 2 0.00049448 0.00000014 0.00000008 0.00000000 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 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 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 2.72698 2.57510 2.29755 2.78073 2.76313 2.75916 2.75508 2.57163 1.91632 2.89812 2.90166 2.07093 2.06755 2.07004 2.09147 2.06963 2.06022 2.08790 2.06028 2.06365 2.08895 2.06459 2.06471 2.87116 2.06701 2.06638 2.89395 2.06933 2.07079 2.06897 2.06383 2.06557 2.02726 1.96042 1.93609 1.93457 2.10412 2.00176 2.03031 1.98933 1.87442 1.94171 1.89587 1.90414 1.85267 2.00212 1.86923 1.92817 1.88903 1.90849 1.86078 1.97435 1.88855 1.87589 1.91756 1.92376 1.88086 1.96043 1.93022 1.91135 1.89283 1.89134 1.87531 1.96559 1.91567 1.91856 1.88687 1.88858 1.88660 1.87511 1.90413 1.90203 1.94812 1.95115 1.88261 1.97463 1.90060 1.87702 1.92239 1.92223 1.86309 2.16076 1.91776 2.20461 1.93660 1.93113 1.94091 1.88224 1.88274 1.88813 3.00781 0.89318 -1.15831 -0.01726 3.11435 1.18842 -2.99813 -0.97817 -2.91887 -0.82223 1.19772 1.04337 -1.07403 -3.13747 -1.13336 3.03243 0.96899 -1.08408 3.09605 1.02318 1.10638 -0.99669 -3.06955 -1.57861 2.57583 0.54906 0.98640 -1.14235 3.11407 2.86753 -0.28436 0.31147 -2.84042 1.03555 -1.05008 -3.07064 3.13650 1.05087 -0.96969 -1.12629 3.07127 1.05070 -1.17430 0.93811 3.00827 3.02000 -1.15077 0.91939 1.00768 3.12009 -1.09294 -1.09919 1.04458 3.05728 0.98758 3.13134 -1.13915 3.09804 -1.04138 0.97132 -1.03544 1.05317 -3.13116 3.11611 -1.07846 1.02039 1.06573 -3.12884 -1.02998 -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 0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00002 -0.00002 0.00001 0.00000 -0.00000 0.00000 0.00004 0.00002 0.00002 0.00001 0.00000 -0.00000 -0.00000 -0.00001 -0.00000 -0.00001 -0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00002 0.00001 -0.00001 0.00001 -0.00001 -0.00000 0.00000 -0.00001 -0.00001 -0.00001 -0.00001 0.00001 0.00001 -0.00006 -0.00006 -0.00007 0.00001 -0.00001 -0.00001 0.00000 -0.00001 0.00002 -0.00001 0.00001 0.00000 0.00001 -0.00002 0.00001 -0.00002 -0.00001 -0.00000 0.00001 -0.00001 0.00003 -0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00001 -0.00000 0.00001 0.00001 0.00001 0.00002 -0.00003 0.00000 -0.00001 -0.00001 0.00000 -0.00001 -0.00000 -0.00001 0.00002 -0.00002 0.00002 0.00000 -0.00001 -0.00001 -0.00001 -0.00000 0.00001 0.00002 0.00072 0.00075 0.00075 -0.00004 -0.00005 0.00002 0.00003 0.00005 0.00003 0.00004 0.00006 -0.00001 -0.00000 -0.00001 -0.00002 -0.00002 -0.00002 -0.00004 -0.00003 -0.00004 -0.00004 -0.00003 -0.00004 0.00011 0.00011 0.00008 -0.00025 -0.00025 -0.00028 -0.00018 -0.00020 0.00018 0.00017 0.00005 0.00004 0.00003 0.00005 0.00004 0.00003 0.00006 0.00005 0.00004 0.00009 0.00008 0.00012 0.00010 0.00009 0.00012 0.00008 0.00006 0.00010 0.00017 0.00017 0.00019 0.00017 0.00017 0.00019 0.00014 0.00014 0.00016 0.00022 0.00021 0.00023 0.00022 0.00020 0.00023 0.00019 0.00018 0.00020 -0.00002 -0.00002 0.00001 0.00000 -0.00000 0.00000 0.00004 0.00002 0.00002 0.00001 0.00000 -0.00000 -0.00000 -0.00001 -0.00000 -0.00001 -0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00002 0.00001 -0.00001 0.00001 -0.00001 -0.00000 0.00000 -0.00001 -0.00001 -0.00001 -0.00001 0.00001 0.00001 -0.00006 -0.00006 -0.00007 0.00001 -0.00001 -0.00001 0.00000 -0.00001 0.00002 -0.00001 0.00001 0.00000 0.00001 -0.00002 0.00001 -0.00002 -0.00001 -0.00000 0.00001 -0.00001 0.00003 -0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00001 -0.00000 0.00001 0.00001 0.00001 0.00002 -0.00003 0.00000 -0.00001 -0.00001 0.00000 -0.00001 -0.00000 -0.00001 0.00002 -0.00002 0.00002 0.00000 -0.00001 -0.00001 -0.00001 -0.00000 0.00001 0.00002 0.00072 0.00075 0.00075 -0.00004 -0.00005 0.00002 0.00003 0.00005 0.00003 0.00004 0.00006 -0.00001 -0.00000 -0.00001 -0.00002 -0.00002 -0.00002 -0.00004 -0.00003 -0.00004 -0.00004 -0.00003 -0.00004 0.00011 0.00011 0.00008 -0.00025 -0.00025 -0.00028 -0.00018 -0.00020 0.00018 0.00017 0.00005 0.00004 0.00003 0.00005 0.00004 0.00003 0.00006 0.00005 0.00004 0.00009 0.00008 0.00012 0.00010 0.00009 0.00012 0.00008 0.00006 0.00010 0.00017 0.00017 0.00019 0.00017 0.00017 0.00019 0.00014 0.00014 0.00016 0.00022 0.00021 0.00023 0.00022 0.00020 0.00023 0.00019 0.00018 0.00020 2.72695 2.57507 2.29756 2.78073 2.76313 2.75916 2.75512 2.57165 1.91633 2.89814 2.90166 2.07092 2.06754 2.07003 2.09147 2.06963 2.06022 2.08790 2.06028 2.06365 2.08895 2.06459 2.06471 2.87118 2.06702 2.06638 2.89396 2.06932 2.07079 2.06897 2.06383 2.06556 2.02725 1.96041 1.93609 1.93458 2.10406 2.00170 2.03024 1.98933 1.87441 1.94170 1.89587 1.90413 1.85269 2.00211 1.86924 1.92817 1.88904 1.90848 1.86080 1.97433 1.88854 1.87589 1.91757 1.92375 1.88089 1.96043 1.93022 1.91135 1.89282 1.89134 1.87531 1.96559 1.91566 1.91856 1.88686 1.88858 1.88661 1.87512 1.90414 1.90205 1.94809 1.95115 1.88260 1.97463 1.90061 1.87701 1.92239 1.92222 1.86312 2.16074 1.91778 2.20462 1.93659 1.93112 1.94090 1.88224 1.88275 1.88816 3.00853 0.89393 -1.15757 -0.01730 3.11430 1.18844 -2.99810 -0.97812 -2.91884 -0.82219 1.19778 1.04336 -1.07403 -3.13748 -1.13339 3.03241 0.96897 -1.08412 3.09601 1.02314 1.10634 -0.99672 -3.06959 -1.57850 2.57594 0.54915 0.98614 -1.14260 3.11379 2.86734 -0.28456 0.31165 -2.84025 1.03560 -1.05003 -3.07061 3.13656 1.05092 -0.96966 -1.12623 3.07132 1.05074 -1.17421 0.93819 3.00839 3.02010 -1.15069 0.91951 1.00775 3.12015 -1.09283 -1.09901 1.04475 3.05747 0.98775 3.13151 -1.13896 3.09818 -1.04124 0.97148 -1.03522 1.05338 -3.13093 3.11633 -1.07826 1.02062 1.06592 -3.12866 -1.02978 |Maximum Force|RMS Force|Maximum Displacement|RMS Displacement| 0.000006 0.000001 0.002251 0.000494 0.000450 0.000300 0.001800 0.001200 YES YES NO YES -4.513662e-09 6-311+G(d,p) (5D, 7F) 0.10000e-02 0.10000e-05 F 419 A 406 A 406 628 419 52 52 882.3928837357 33 33 33 1.00e+00 60 F IExCor= 402 DFT=T Ex+Corr=B3LYP ExCW=0 ScaHFX= 0.200000 ScaDFX= 0.800000 0.720000 1.000000 0.810000 ScalE2= 1.000000 1.000000 IRadAn= 5 IRanWt= -1 IRanGd= 0 ICorTp=0 IEmpDi=131 Grimme-D3 -0.0312564742 0.000000 2.275639 0.000000 4.061285 4.773060 0.000000 2.229345 2.299960 2.921797 0.000000 4.295825 3.657940 2.530660 2.498289 0.000000 4.784272 4.806833 1.471498 3.125711 1.533621 0.000000 3.591291 2.852897 3.087204 1.457926 1.535491 2.573682 0.000000 3.780642 4.641922 1.462186 3.374758 3.079402 2.436764 3.785710 0.000000 5.187592 6.161506 1.460085 4.159332 3.800775 2.414982 4.329360 2.406048 0.000000 1.443054 2.690351 5.350570 3.562118 5.454509 6.060364 4.811167 4.805511 6.475894 0.000000 2.388463 4.169466 5.823144 4.603302 6.484974 6.805036 5.960427 5.132742 6.712225 1.519352 0.000000 1.362683 1.215814 3.843500 1.360847 3.312234 4.146466 2.448427 3.808572 5.151926 2.381765 3.654644 0.000000 2.938932 4.792660 5.288826 4.879407 6.331889 6.398310 6.149672 4.336194 6.042069 2.546026 1.531410 4.149665 0.000000 5.294570 4.329016 3.436434 3.417941 1.095887 2.134933 2.152569 4.031024 4.539838 6.397201 7.504780 4.197261 7.380564 0.000000 4.024254 3.283150 2.851901 2.732723 1.094099 2.182986 2.157352 2.845047 4.234740 4.983948 6.022602 3.106526 5.795932 1.750724 0.000000 5.399975 5.413864 2.076806 3.507843 2.145512 1.095417 2.801870 3.353601 2.524359 6.759741 7.510655 4.720952 7.197336 2.439811 3.066770 0.000000 5.611511 5.564259 2.128296 4.127349 2.168324 1.106760 3.514804 2.676864 2.751291 6.791200 7.482659 5.008038 6.907586 2.431595 2.519434 1.765838 0.000000 4.301251 3.766531 3.352720 2.079124 2.168006 2.779110 1.095204 4.376109 4.320803 5.601726 6.675512 3.274733 6.898060 2.522744 3.064718 2.562157 3.775904 0.000000 3.878966 2.473808 4.113575 2.066165 2.168795 3.504444 1.090224 4.634475 5.402042 4.881543 6.204464 2.551958 6.566429 2.440292 2.509408 3.751332 4.317594 1.765418 0.000000 2.328494 3.144928 2.227515 1.014071 2.753232 2.847692 2.095023 2.790625 3.316663 3.765231 4.503798 2.025916 4.562602 3.770767 3.047006 3.210932 3.861768 2.465718 2.953899 0.000000 4.788912 5.456094 2.141500 4.349466 3.502847 2.730301 4.528724 1.104866 2.737075 5.698713 5.982536 4.757050 5.024437 4.264949 3.174746 3.674869 2.498446 5.115055 5.329771 3.838200 0.000000 3.132944 3.715278 2.109048 2.905901 2.761668 2.711532 3.364821 1.090253 3.356528 4.041347 4.583626 3.037146 3.949038 3.744604 2.225065 3.721817 3.043518 4.176374 4.027085 2.614155 1.780974 0.000000 3.673502 5.029391 2.096950 3.781551 4.049105 3.377425 4.505471 1.092038 2.614753 4.596771 4.605909 4.078571 3.649489 5.052502 3.822491 4.160370 3.680855 5.045563 5.362758 3.042765 1.781464 1.759302 0.000000 6.045176 6.898732 2.143682 5.037428 4.214870 2.725933 5.041391 2.728716 1.105424 7.265136 7.474662 5.973608 6.648620 4.805035 4.562742 2.890746 2.601927 5.079958 6.075034 4.270259 2.596673 3.748411 3.031184 0.000000 5.076619 6.424934 2.098587 4.471845 4.608779 3.363938 4.953332 2.630492 1.092534 6.285566 6.283195 5.323056 5.537599 5.457647 4.925558 3.538181 3.742398 4.987244 6.016695 3.511417 3.069522 3.606767 2.362957 1.779439 0.000000 5.649919 6.509802 2.100700 4.330170 4.012837 2.652279 4.348417 3.355240 1.092599 7.022853 7.338907 5.497634 6.831527 4.622484 4.681361 2.285905 3.126416 4.063597 5.431653 3.532730 3.745165 4.185783 3.604781 1.780595 1.768863 0.000000 2.076477 2.546449 5.507399 3.870303 5.335825 6.068101 4.907588 4.781218 6.738333 1.093815 2.174730 2.597466 2.794828 6.207432 4.675896 6.881047 6.670822 5.835546 4.868205 4.182108 5.530956 3.868274 4.710812 7.410184 6.650489 7.371098 0.000000 2.074716 2.756959 6.120674 3.916970 5.980497 6.725364 5.111588 5.738835 7.260199 1.093483 2.176626 2.703321 3.501003 6.849917 5.591276 7.332046 7.529817 5.826050 5.011926 4.281732 6.667738 4.959342 5.583332 8.111469 7.100553 7.695797 1.768052 0.000000 2.618283 4.619866 5.953953 4.697813 6.811385 7.023033 6.134112 5.471941 6.697155 2.141306 1.095040 3.940688 2.167807 7.853155 6.510048 7.601475 7.792596 6.697312 6.450974 4.494080 6.407135 5.072574 4.859473 7.550841 6.174300 7.212861 3.065769 2.497979 0.000000 3.325931 4.774417 6.872212 5.553348 7.400302 7.809552 6.868977 6.105986 7.782207 2.124401 1.095816 4.479073 2.168273 8.384418 6.861343 8.545892 8.453368 7.622413 7.001169 5.543975 6.890487 5.495697 5.586635 8.513167 7.345003 8.428878 2.512240 2.452234 1.758257 0.000000 3.348748 4.780099 5.495940 5.173751 6.296582 6.463515 6.295199 4.349348 6.360587 2.809025 2.177934 4.341909 1.094850 7.285214 5.598405 7.370391 6.843034 7.158089 6.629202 4.970242 4.866730 3.821188 3.817453 6.840955 5.976014 7.231734 2.613665 3.803891 3.081307 2.525291 0.000000 2.629620 4.611516 4.277139 4.224159 5.577011 5.472138 5.466883 3.388749 4.960999 2.810896 2.171951 3.767274 1.092133 6.651952 5.147595 6.235167 5.994367 6.146295 6.028990 3.744608 4.144142 3.168454 2.628285 5.586684 4.446869 5.754324 3.140952 3.823774 2.523630 3.076824 1.767560 0.000000 3.921648 5.863825 6.016759 5.843434 7.302092 7.231131 7.141249 5.056477 6.576490 3.493908 2.179666 5.186695 1.093053 8.363982 6.795706 7.998902 7.703710 7.832736 7.608600 5.428915 5.668306 4.829768 4.217112 7.141937 5.926299 7.378032 3.799983 4.335135 2.511463 2.515133 1.768625 1.769891 0.000000 C9H20N2O2 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 0 168.10849999999994 AuxInfo=1/0/N:5;6;7;8;9;10;11;12;13;3;4;1;2;14;15;16;17;18;19;20;21;22;23;24;25;26;27;28;29;30;31;32;33/rA:33nO0O0N0N0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:-1.691,-.3448,-.5095;-1.1798,-2.3272,.4841;2.0983,1.0783,-.1784;.3547,-1.1844,-.7923;2.3083,-1.2613,.7629;3.0031,.0365,.3327;1.5188,-1.9485,-.3605;1.2306,1.6215,.8656;2.8489,2.1438,-.8366;-3.0311,-.4313,.0189;-3.721,.8909,-.2711;-.8572,-1.3786,-.2047;-3.0589,2.0814,.4285;3.0863,-1.9483,1.1148;1.6439,-1.0917,1.6154;3.7069,-.2021,-.472;3.6058,.4264,1.1751;2.1671,-2.1047,-1.2293;1.1651,-2.9252,-.0295;.5585,-.2404,-1.1015;1.804,2.0781,1.6923;.5923,.8401,1.2787;.578,2.3849,.4368;3.5388,2.6656,-.1483;2.1574,2.8825,-1.2488;3.4359,1.7315,-1.6608;-2.98,-.6322,1.0929;-3.5468,-1.2709,-.4552;-3.7383,1.0519,-1.3541;-4.7643,.7967,.0508;-3.0577,1.946,1.515;-2.0219,2.1908,.1038;-3.5858,3.0131,.2072; 1.0072035 0.4682451 0.3511498 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. One-electron integral symmetry used in STVInt NBasis= 406 RedAO= T EigKep= 2.02D-05 NBF= 406 NBsUse= 406 1.00D-06 EigRej= -1.00D+00 NBFU= 406 Precomputing XC quadrature grid using IXCGrd= 4 IRadAn= 5 IRanWt= -1 IRanGd= 0 AccXCQ= 0.00D+00. Generated NRdTot= 0 NPtTot= 0 NUsed= 0 NTot= 32 NSgBfM= 419 419 419 419 419 MxSgAt= 33 MxSgA2= 33. 1 Closed 1 1 1 -615.186831436461 -615.186831436 1 6.125168076784e+02 -3.198637105372e+03 1.088571838995e+03 Using DIIS extrapolation, IDIIS= 1040. NGot= 11324620800 LenX= 11324261300 LenY= 11324085298 Requested convergence on RMS density matrix=1.00D-08 within 128 cycles. Requested convergence on MAX density matrix=1.00D-06. Requested convergence on energy=1.00D-06. No special actions if energy rises. Fock matrices will be formed incrementally for 20 cycles. Using compressed storage, NAtomX= 33. Will process 34 centers per pass. Symmetrizing basis deriv contribution to polar: IMax=3 JMax=2 DiffMx= 0.00D+00 Minotr: Closed shell wavefunction. IDoAtm=111111111111111111111111111111111 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. 10234 words used for storage of precomputed grid. Keep R1 ints in memory in canonical form, NReq=3450217575. 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= 82621 NMatT0= 0 NMatD0= 1 NMtDS0= 0 NMtDT0= 0 Symmetry not used in FoFCou. Two-electron integral symmetry not used. MDV= 11324620800 using IRadAn= 1. Solving linear equations simultaneously, MaxMat= 0. There are 102 degrees of freedom in the 1st order CPHF. IDoFFX=6 NUNeed= 3. 99 vectors produced by pass 0 Test12= 1.84D-14 1.00D-09 XBig12= 9.38D+01 1.91D+00. AX will form 99 AO Fock derivatives at one time. 99 vectors produced by pass 1 Test12= 1.84D-14 1.00D-09 XBig12= 1.12D+01 6.13D-01. 99 vectors produced by pass 2 Test12= 1.84D-14 1.00D-09 XBig12= 1.11D-01 4.68D-02. 99 vectors produced by pass 3 Test12= 1.84D-14 1.00D-09 XBig12= 2.75D-04 2.18D-03. 99 vectors produced by pass 4 Test12= 1.84D-14 1.00D-09 XBig12= 5.08D-07 6.68D-05. 71 vectors produced by pass 5 Test12= 1.84D-14 1.00D-09 XBig12= 6.33D-10 1.99D-06. 12 vectors produced by pass 6 Test12= 1.84D-14 1.00D-09 XBig12= 6.20D-13 1.06D-07. 2 vectors produced by pass 7 Test12= 1.84D-14 1.00D-09 XBig12= 6.14D-16 4.38D-09. InvSVY: IOpt=1 It= 1 EMax= 1.24D-14 Solved reduced A of dimension 580 with 102 vectors. FullF1: Do perturbations 1 to 3. Isotropic polarizability for W= 0.000000 134.24 Bohr**3. End of Minotr F.D. properties file 721 does not exist. 152.987 -1.649 136.675 -1.651 -2.189 113.071 187.909 0.566 180.443 -5.805 -8.644 173.087 (Enter /usr/local/gaussian/gaussian16/g16/l716.exe) PT10607.100S 2022-12-16T14:03:01.000 -19.15235 -19.08635 -14.32271 -14.32123 -10.30673 -10.22065 -10.20417 -10.20323 -10.19704 -10.19465 -10.17598 -10.17303 -10.16093 -1.09826 -1.00705 -0.93840 -0.91975 -0.79655 -0.77923 -0.71761 -0.71300 -0.68577 -0.64067 -0.60319 -0.58078 -0.57125 -0.55169 -0.49990 -0.49124 -0.48442 -0.47409 -0.46440 -0.44911 -0.44089 -0.43531 -0.42935 -0.41627 -0.40571 -0.40203 -0.39012 -0.37977 -0.37663 -0.37482 -0.35522 -0.35405 -0.34859 -0.34498 -0.33846 -0.29537 -0.27706 -0.25658 -0.23241 -0.00509 0.00774 0.01201 0.01602 0.02505 0.02962 0.03335 0.04010 0.04310 0.04689 0.04961 0.05477 0.05688 0.06525 0.06946 0.07505 0.07579 0.08046 0.08902 0.09212 0.09364 0.09584 0.10736 0.11210 0.11404 0.11912 0.12167 0.12439 0.13252 0.13426 0.13612 0.14122 0.14993 0.16156 0.16629 0.17001 0.17384 0.18063 0.18149 0.18808 0.19264 0.19584 0.20013 0.20318 0.20668 0.21117 0.21677 0.22091 0.22313 0.22485 0.22782 0.23085 0.23618 0.23831 0.24462 0.24723 0.25062 0.25778 0.26097 0.26498 0.26639 0.27491 0.27764 0.27993 0.28456 0.29121 0.29730 0.30368 0.30906 0.31232 0.31405 0.32528 0.33387 0.33728 0.33853 0.34259 0.36581 0.36907 0.37398 0.38557 0.38854 0.40317 0.40587 0.41823 0.43351 0.44781 0.45788 0.46414 0.47578 0.48296 0.49379 0.51461 0.51736 0.51974 0.52923 0.54305 0.55312 0.55908 0.56455 0.57263 0.57963 0.59083 0.59336 0.61482 0.61819 0.62101 0.63321 0.64496 0.65286 0.65627 0.66159 0.66836 0.67606 0.68544 0.69078 0.69611 0.70110 0.70771 0.71076 0.72013 0.73053 0.73314 0.73563 0.73894 0.74537 0.75063 0.75564 0.76750 0.77599 0.78996 0.80210 0.81479 0.83268 0.86214 0.87346 0.90473 0.91328 0.92593 0.93340 0.96646 0.97093 0.97830 1.00391 1.02727 1.03340 1.05079 1.06717 1.09282 1.09516 1.10764 1.12825 1.14162 1.15897 1.18523 1.19675 1.19995 1.21355 1.23488 1.24449 1.26387 1.28376 1.29981 1.31554 1.34200 1.36244 1.38505 1.39973 1.40444 1.43767 1.45285 1.45974 1.47427 1.48567 1.49976 1.50906 1.51607 1.53000 1.53902 1.54526 1.54853 1.55746 1.56688 1.57744 1.59066 1.60255 1.61195 1.61259 1.61850 1.62607 1.62642 1.64157 1.64842 1.65707 1.66325 1.66958 1.67915 1.68323 1.69164 1.69976 1.71322 1.71781 1.73377 1.75297 1.75842 1.77125 1.77539 1.78774 1.79739 1.80248 1.80894 1.81402 1.83264 1.84335 1.85706 1.87210 1.88046 1.91026 1.93703 1.97176 1.98900 2.00873 2.01781 2.03679 2.05688 2.06532 2.08357 2.09748 2.10046 2.11541 2.12477 2.15008 2.16506 2.17051 2.17856 2.20935 2.24847 2.25702 2.27023 2.28639 2.29990 2.31315 2.33287 2.35134 2.39494 2.41970 2.44308 2.44457 2.44905 2.46049 2.47670 2.48249 2.49846 2.50900 2.51340 2.52698 2.53215 2.54350 2.54969 2.56876 2.57381 2.59127 2.59930 2.62410 2.62713 2.63692 2.63812 2.64680 2.65284 2.66995 2.68251 2.68797 2.70876 2.71644 2.72353 2.74688 2.74728 2.75363 2.76727 2.78828 2.80065 2.80804 2.82336 2.83926 2.85831 2.86948 2.87523 2.89790 2.91849 2.93362 2.94820 2.97493 2.99711 3.02455 3.06166 3.06586 3.09201 3.10700 3.11378 3.16038 3.19203 3.23977 3.33284 3.35202 3.36857 3.39134 3.43734 3.52535 3.59873 3.62637 3.67398 3.71266 3.75728 3.77091 3.78376 3.79084 3.80884 3.81296 3.81868 3.82265 3.83855 3.84118 3.87232 3.87693 4.04974 4.07607 4.09196 4.11676 4.18829 4.22736 4.32920 4.34588 4.84251 4.85738 4.86272 4.93793 5.04784 5.10768 5.24751 5.43115 5.71405 5.88711 23.84077 23.85144 23.86267 23.90450 23.90914 23.92995 23.93888 23.96496 23.98173 35.51759 35.61599 49.92932 50.04398 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 O O N N C C C C C C C C C H H H H H H H H H H H H H H H H H H H H -0.136215 -0.341819 -0.067538 -0.218237 -0.193456 -0.334345 -0.291304 -0.420168 -0.295912 -0.041094 -0.357670 0.069119 -0.428310 0.148602 0.155006 0.139132 0.134570 0.141566 0.185785 0.302904 0.130452 0.147600 0.140620 0.122044 0.137481 0.137497 0.158507 0.161398 0.153134 0.145508 0.135292 0.141699 0.138153 -0.00000 Mulliken charges with hydrogens summed into heavy atoms: 1 1 2 3 4 5 6 7 8 9 10 11 12 13 O O N N C C C C C C C C C -0.136215 -0.341819 -0.067538 0.084666 0.110152 -0.060644 0.036048 -0.001496 0.101110 0.278811 -0.059028 0.069119 -0.013166 0.00000 6.99382704e-01 1.08514179e+00 -7.56894957e-02 1.52987004e+02 -1.64857352e+00 1.36674880e+02 -1.65095436e+00 -2.18899675e+00 1.13070972e+02 -1.8646 -0.0010 -0.0008 -0.0006 3.6791 4.3793 23.8297 35.7313 50.5486 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 A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A 23.7947 35.7291 50.5475 68.1855 79.9867 104.5763 143.4783 156.9166 176.0177 228.4192 245.4984 258.9204 287.6949 295.2387 311.7025 363.4766 405.2462 410.6309 442.2158 461.7620 513.9494 542.6800 660.8850 750.1875 775.3808 780.3522 793.8162 868.9273 882.9878 898.2152 924.6375 935.2986 960.0680 1002.1269 1031.6408 1058.0479 1075.6811 1083.0366 1112.2139 1121.9015 1124.0377 1155.7208 1173.7363 1185.2697 1200.2097 1255.9274 1275.7786 1278.5938 1284.7695 1300.8651 1309.9229 1337.6190 1376.9400 1381.1883 1399.7894 1410.3023 1414.9285 1421.8977 1445.2052 1472.2926 1480.5654 1483.2731 1488.9803 1491.5060 1495.9677 1496.9311 1504.8571 1506.7003 1510.3787 1514.4477 1517.5008 1558.1218 1770.4687 2899.4698 2916.6718 2927.5627 3021.8802 3022.5582 3027.0545 3028.3154 3032.7144 3035.3214 3054.8705 3055.4065 3069.0882 3072.7965 3078.8335 3086.8673 3096.8955 3102.7554 3109.7024 3115.7695 3538.0181 2.8422 3.6661 2.9561 4.2312 3.7841 3.2036 2.6554 2.7720 2.1692 1.6193 1.2773 1.2790 2.1160 1.9693 2.6506 2.4499 2.6402 2.0080 2.2641 2.4550 3.1334 1.9120 1.9069 1.9260 2.1968 3.0118 2.2307 2.2599 2.7190 2.2622 1.4730 1.6721 2.3901 2.1994 2.7933 1.6956 2.2718 2.2712 1.5966 1.5256 1.8446 3.7918 1.8122 1.6156 1.8461 2.1088 1.7314 1.1563 1.6557 1.6823 1.1582 1.1990 1.3410 1.3689 1.3162 1.3671 1.3453 1.3053 1.1531 1.1730 1.0658 1.0762 1.0603 1.0824 1.0687 1.0440 1.0634 1.0773 1.0562 1.0547 1.0847 1.6739 9.7900 1.0726 1.0607 1.0616 1.0549 1.0436 1.0712 1.0630 1.0877 1.0615 1.0706 1.0966 1.0885 1.0821 1.1064 1.1025 1.1037 1.1011 1.0956 1.1007 1.0766 0.0009 0.0028 0.0045 0.0116 0.0143 0.0206 0.0322 0.0402 0.0396 0.0498 0.0454 0.0505 0.1032 0.1011 0.1517 0.1907 0.2555 0.1995 0.2609 0.3084 0.4877 0.3318 0.4907 0.6386 0.7782 1.0806 0.8282 1.0053 1.2490 1.0753 0.7420 0.8618 1.2980 1.3013 1.7515 1.1184 1.5488 1.5696 1.1636 1.1313 1.3731 2.9840 1.4709 1.3372 1.5668 1.9598 1.6604 1.1137 1.6102 1.6774 1.1709 1.2640 1.4979 1.5386 1.5195 1.6021 1.5869 1.5548 1.4189 1.4981 1.3765 1.3951 1.3850 1.4187 1.4092 1.3784 1.4189 1.4409 1.4196 1.4252 1.4716 2.3943 18.0805 5.3127 5.3166 5.3607 5.6757 5.6171 5.7829 5.7437 5.8940 5.7623 5.8864 6.0315 6.0406 6.0197 6.1792 6.1897 6.2367 6.2458 6.2422 6.2958 7.9401 0.1673 0.1681 1.3821 5.7258 0.2846 0.0717 0.8998 3.0233 1.1635 0.2222 2.0141 1.8312 6.8691 2.1968 3.2200 12.9439 3.1540 4.3241 0.4464 0.3312 4.5715 3.4317 80.7900 55.3170 1.1954 21.9274 2.0941 11.8023 5.3746 13.7984 0.6869 8.0455 27.1919 9.5218 63.3294 23.5091 53.9982 6.6372 14.7136 8.1021 19.3039 95.7658 0.4276 13.1389 9.2787 341.9650 61.8842 5.2029 103.6275 17.4645 1.9004 18.2357 1.8547 11.7074 4.6079 4.0422 1.3508 2.2760 1.1408 1.7936 1.9986 4.8663 12.3474 17.2522 15.1196 7.0307 9.2800 5.7763 12.3626 2.6802 22.5456 326.7942 388.5992 57.6465 65.2504 170.5293 29.0424 16.3970 33.1741 35.2872 10.8916 21.9278 28.8372 21.9006 20.6530 61.1331 23.4599 54.5799 33.2126 35.3719 5.0300 23.4120 156.5253 -0.01 -0.00 -0.04 -0.06 -0.03 -0.06 0.04 0.01 -0.04 0.01 0.01 0.06 -0.01 0.05 0.08 0.02 0.02 0.02 -0.01 0.01 0.10 0.05 0.09 -0.07 0.07 -0.05 -0.10 -0.05 -0.03 -0.15 0.01 0.03 -0.01 -0.03 -0.01 -0.02 -0.02 -0.10 0.23 -0.03 0.05 0.12 -0.02 0.10 0.06 0.02 -0.04 0.04 0.02 0.05 0.01 -0.00 -0.03 0.11 -0.03 0.03 0.13 0.01 0.01 0.05 0.06 0.12 -0.09 0.03 0.13 -0.03 0.07 0.08 -0.12 0.08 -0.02 -0.13 0.09 -0.05 -0.14 0.06 -0.11 -0.07 -0.14 -0.19 -0.17 -0.05 0.05 -0.31 0.11 0.20 0.02 -0.02 0.01 -0.11 -0.12 -0.27 0.21 0.01 -0.08 0.35 0.03 -0.05 0.33 0.03 -0.05 -0.09 0.04 0.02 0.05 -0.11 -0.00 -0.02 0.02 -0.09 -0.07 -0.07 0.02 0.04 -0.10 0.04 0.06 0.02 -0.03 0.01 -0.19 -0.02 -0.08 -0.11 0.02 0.01 0.05 0.02 -0.03 0.13 0.09 0.06 0.03 -0.03 -0.03 0.26 0.01 0.09 -0.06 0.06 0.10 -0.13 0.01 -0.00 -0.04 0.06 0.10 -0.16 0.09 0.09 0.08 -0.02 0.05 0.05 -0.04 0.01 0.01 -0.10 -0.11 -0.26 0.01 -0.05 -0.20 -0.03 -0.11 -0.19 -0.04 -0.13 -0.18 0.06 0.05 -0.12 -0.02 -0.05 -0.04 0.03 0.06 0.09 -0.03 -0.04 -0.03 0.08 -0.05 0.09 0.14 0.07 0.14 0.15 0.11 0.32 -0.05 0.08 0.24 -0.05 0.02 0.30 0.05 0.17 -0.03 -0.01 -0.02 0.08 0.06 0.05 0.08 -0.01 -0.03 -0.02 0.02 -0.10 -0.11 -0.01 0.02 -0.02 -0.02 0.12 -0.01 0.05 -0.09 -0.05 0.04 -0.16 0.20 -0.04 0.06 -0.00 -0.03 0.07 -0.06 -0.06 0.08 0.01 0.03 -0.02 -0.07 -0.02 0.02 -0.17 -0.04 0.09 -0.20 -0.01 -0.05 0.10 -0.04 0.23 -0.14 -0.03 0.21 0.05 0.15 -0.07 0.03 0.00 -0.18 -0.04 0.01 -0.14 -0.15 0.06 -0.10 -0.11 0.06 -0.22 0.01 0.03 -0.27 0.12 -0.05 0.15 0.29 -0.03 -0.05 0.31 -0.07 0.15 0.07 -0.00 0.07 -0.00 -0.06 0.12 -0.13 -0.08 0.07 -0.04 -0.09 0.14 -0.00 -0.00 0.02 -0.09 0.01 -0.04 -0.11 -0.05 0.02 0.01 0.02 -0.05 0.08 0.19 0.27 0.00 -0.03 -0.02 -0.00 -0.03 -0.02 0.05 -0.05 -0.07 0.03 -0.04 -0.08 0.00 -0.04 -0.04 -0.04 -0.14 -0.00 -0.02 0.04 0.08 -0.02 0.00 -0.15 0.00 0.02 -0.12 0.03 0.07 0.09 -0.12 -0.04 0.11 0.07 -0.05 -0.13 0.10 -0.06 -0.04 -0.00 -0.01 -0.12 0.06 -0.05 -0.10 -0.03 -0.05 -0.06 -0.00 -0.03 -0.02 -0.00 -0.07 -0.15 -0.07 -0.19 0.05 -0.04 -0.18 -0.08 -0.04 -0.11 0.04 -0.06 0.02 0.14 -0.03 0.05 0.11 0.02 0.13 0.07 -0.11 -0.06 -0.16 0.01 0.04 -0.24 0.17 0.13 -0.11 -0.05 -0.02 -0.29 -0.31 -0.15 0.10 -0.06 -0.01 0.30 -0.08 -0.02 0.10 -0.15 -0.13 -0.16 -0.01 0.03 0.10 0.06 0.06 0.02 -0.06 0.03 0.05 0.02 0.04 -0.03 0.04 0.01 -0.07 -0.05 0.04 0.01 0.11 0.03 0.07 0.08 0.08 0.07 -0.11 -0.07 -0.05 -0.05 -0.02 0.05 -0.07 -0.02 0.01 0.19 -0.08 -0.07 0.01 0.01 -0.07 0.06 0.06 -0.00 -0.02 -0.01 -0.12 0.12 -0.03 -0.10 -0.09 0.02 -0.01 -0.04 0.05 0.04 -0.11 0.02 -0.03 0.15 -0.07 0.10 0.07 0.03 0.02 0.14 0.10 0.14 0.11 0.01 0.09 0.10 0.13 0.13 0.06 0.11 0.03 -0.04 -0.11 -0.06 -0.21 -0.03 -0.04 -0.22 -0.02 0.05 -0.00 0.08 0.23 0.40 -0.08 -0.08 0.13 -0.16 -0.28 0.22 -0.03 0.04 -0.00 -0.00 -0.08 0.10 0.10 0.07 -0.05 -0.03 0.10 0.01 0.02 -0.09 -0.07 -0.04 0.02 -0.05 -0.03 0.09 0.01 0.02 -0.08 0.11 0.12 0.16 -0.10 -0.14 -0.14 0.02 -0.02 -0.03 -0.01 -0.03 0.01 0.04 0.05 -0.03 -0.01 -0.03 0.01 -0.10 -0.06 0.05 -0.14 -0.07 -0.03 -0.03 -0.01 0.11 -0.07 -0.05 0.12 0.06 0.10 -0.05 0.01 -0.01 -0.17 0.03 0.04 -0.03 0.24 0.22 0.01 0.18 0.16 0.36 0.04 0.06 0.16 0.05 -0.10 -0.31 -0.13 -0.14 -0.09 -0.27 -0.26 -0.20 0.06 -0.03 -0.03 0.01 -0.02 -0.02 -0.05 -0.01 0.01 -0.00 -0.05 0.05 0.04 -0.05 0.00 -0.02 -0.01 -0.03 -0.03 -0.03 0.04 0.02 -0.05 0.08 0.01 -0.08 0.05 -0.02 0.09 0.00 -0.05 -0.11 -0.09 -0.10 0.03 -0.04 -0.08 0.01 -0.05 -0.02 -0.04 -0.06 0.07 0.14 0.05 0.07 0.05 0.04 -0.00 0.00 0.04 0.09 0.02 -0.09 -0.01 -0.09 0.02 0.01 0.00 0.02 -0.12 0.06 0.05 -0.17 0.06 -0.10 -0.11 -0.01 -0.07 -0.03 -0.03 -0.06 0.01 -0.01 -0.04 0.03 -0.06 -0.05 -0.10 -0.10 -0.08 0.14 0.02 0.06 -0.02 0.19 0.02 0.15 0.24 0.11 0.15 -0.07 0.06 0.14 0.16 0.12 0.00 0.05 -0.00 -0.06 0.06 0.05 -0.01 -0.00 0.05 0.30 0.00 -0.10 0.02 0.07 -0.28 -0.32 0.08 0.03 0.11 -0.13 0.31 0.17 0.04 -0.20 -0.03 0.01 0.16 0.02 -0.06 0.03 0.02 -0.03 0.02 -0.05 0.09 0.07 0.04 -0.04 -0.06 0.02 0.02 0.09 0.02 0.10 -0.13 -0.04 -0.01 -0.04 -0.02 -0.04 -0.04 -0.10 -0.03 -0.05 0.02 0.03 -0.08 -0.02 -0.00 0.09 0.11 -0.04 -0.04 0.05 -0.08 -0.15 0.05 -0.16 -0.03 0.13 0.09 0.16 -0.09 0.02 0.18 -0.02 0.30 -0.20 0.11 0.02 -0.28 -0.11 0.11 0.08 -0.09 0.15 -0.09 0.05 -0.04 0.05 -0.13 -0.13 -0.12 -0.06 0.05 -0.06 -0.05 -0.10 -0.10 0.01 -0.07 0.00 -0.27 -0.10 -0.05 -0.05 0.02 -0.19 0.12 0.04 -0.09 -0.01 0.14 -0.16 0.02 -0.04 -0.04 0.15 -0.18 0.03 0.25 0.02 -0.08 0.08 0.12 0.15 -0.01 0.03 0.00 -0.03 0.02 -0.02 -0.00 -0.04 -0.04 -0.06 0.00 -0.00 -0.05 -0.02 -0.05 -0.03 -0.05 0.01 0.01 0.03 0.01 0.02 0.01 0.02 -0.00 -0.04 -0.09 -0.04 -0.04 0.01 0.02 0.04 0.03 0.06 -0.07 -0.05 -0.06 0.03 0.05 -0.08 0.04 -0.03 -0.09 -0.04 -0.07 -0.01 -0.03 -0.07 -0.01 -0.10 0.03 -0.05 -0.03 0.04 0.03 -0.03 -0.02 0.04 -0.05 0.03 -0.06 0.06 -0.04 0.07 0.10 0.04 0.06 -0.07 0.04 0.06 0.07 0.07 -0.01 0.02 -0.01 -0.16 -0.19 -0.11 0.13 -0.00 -0.30 -0.18 -0.00 0.01 0.00 -0.06 0.14 0.46 -0.24 -0.07 -0.07 0.11 -0.39 -0.14 -0.10 0.28 0.00 -0.05 -0.03 -0.04 -0.05 0.04 0.01 0.02 0.02 -0.01 -0.08 0.01 0.05 -0.03 -0.05 0.01 0.03 0.03 0.04 -0.03 -0.04 0.00 0.06 -0.01 0.02 0.02 0.02 0.00 0.04 -0.03 0.01 0.05 -0.01 -0.02 -0.07 0.02 -0.06 0.08 0.02 0.08 -0.01 -0.09 0.06 -0.10 -0.02 0.06 0.09 0.06 -0.04 0.01 0.08 0.01 0.02 -0.07 0.10 -0.06 -0.05 -0.05 -0.08 -0.02 -0.01 0.35 -0.16 0.21 0.01 0.21 -0.20 -0.16 -0.10 0.04 -0.01 0.02 0.02 0.05 0.06 -0.01 0.03 -0.01 -0.01 0.03 -0.03 -0.04 0.06 -0.02 -0.00 0.08 -0.00 0.01 0.01 -0.01 0.27 -0.11 -0.01 -0.17 0.38 -0.24 -0.34 -0.01 0.32 0.01 0.03 -0.01 -0.01 0.03 -0.01 -0.03 0.01 -0.01 0.02 0.02 0.02 0.02 -0.03 -0.01 -0.03 -0.01 -0.02 -0.02 -0.04 0.02 -0.04 0.04 -0.03 0.04 -0.01 0.04 0.02 -0.01 0.01 -0.01 -0.03 0.01 0.01 0.04 -0.00 0.03 -0.04 -0.01 0.06 -0.01 -0.07 0.06 -0.07 0.02 -0.04 0.02 -0.03 -0.03 -0.00 -0.03 -0.04 -0.10 0.02 -0.07 -0.00 0.06 0.06 0.02 0.05 -0.05 0.36 -0.20 0.20 -0.02 0.22 -0.27 -0.22 -0.13 0.27 -0.28 0.01 0.10 0.21 0.33 -0.21 0.04 -0.16 0.04 -0.01 0.01 0.04 -0.03 0.02 -0.03 -0.04 0.01 -0.00 -0.03 0.04 -0.13 0.06 0.01 0.08 -0.19 0.11 0.16 0.00 -0.16 0.01 0.03 0.01 -0.04 0.03 -0.00 0.04 0.00 0.01 -0.01 -0.05 -0.05 -0.01 -0.00 -0.01 0.03 -0.01 0.00 -0.02 -0.04 0.01 0.04 0.02 0.00 -0.03 0.05 0.02 0.01 -0.01 -0.00 -0.02 -0.02 0.02 -0.01 0.01 -0.01 0.02 -0.03 -0.01 -0.02 -0.01 0.00 -0.01 0.01 -0.01 0.02 -0.02 -0.00 0.04 -0.04 0.01 -0.02 -0.10 0.02 -0.04 -0.01 0.06 0.00 -0.05 -0.05 0.05 0.29 -0.15 0.24 -0.02 0.23 -0.15 -0.18 -0.07 -0.35 0.35 0.12 -0.09 -0.19 -0.32 0.31 0.04 0.27 0.01 -0.03 -0.00 0.04 -0.02 -0.02 -0.05 -0.03 0.02 -0.01 -0.02 0.05 -0.09 0.05 0.00 0.06 -0.15 0.08 0.13 0.00 -0.12 0.02 0.01 -0.05 -0.07 0.03 0.01 -0.07 0.04 0.01 0.03 0.01 0.10 0.09 -0.12 -0.08 -0.07 0.01 0.01 0.01 -0.08 -0.04 -0.03 0.14 -0.01 0.03 -0.02 0.01 0.04 -0.00 -0.01 -0.00 -0.03 0.02 0.01 0.01 0.02 -0.00 -0.02 -0.00 0.22 -0.06 -0.24 0.16 -0.27 0.01 -0.01 0.12 0.04 -0.14 -0.00 0.07 -0.06 -0.08 -0.10 -0.01 -0.08 -0.04 0.07 0.01 0.12 0.01 -0.12 0.11 -0.29 0.25 -0.17 0.23 0.37 0.02 -0.12 0.08 0.07 0.09 -0.10 -0.23 0.19 -0.12 0.18 0.08 0.00 -0.01 0.04 -0.02 0.01 -0.06 -0.02 0.02 0.01 -0.06 0.07 -0.06 0.03 0.01 0.02 -0.07 0.04 0.04 -0.01 -0.07 -0.03 -0.03 -0.01 0.08 -0.01 -0.02 -0.05 -0.02 -0.03 0.02 0.13 0.05 -0.05 -0.03 0.01 -0.06 -0.06 -0.07 -0.06 0.01 0.02 0.00 0.03 -0.01 0.01 -0.01 0.04 0.01 0.00 0.08 0.08 -0.01 -0.09 0.02 0.04 0.00 0.02 -0.04 0.02 -0.04 -0.02 0.01 -0.03 -0.00 0.02 -0.14 -0.10 -0.13 0.03 -0.05 -0.14 -0.07 -0.04 0.03 -0.16 0.04 0.01 0.06 0.15 0.15 0.05 0.13 -0.10 0.08 0.03 0.12 -0.07 -0.04 -0.03 -0.16 0.07 0.15 0.04 -0.07 -0.14 0.20 -0.02 0.18 0.06 0.17 0.11 -0.01 -0.07 0.23 0.29 -0.05 -0.10 0.02 0.04 -0.28 0.20 -0.27 -0.01 -0.05 0.17 -0.11 -0.15 -0.07 0.30 -0.01 -0.05 0.02 0.18 -0.08 -0.01 -0.06 -0.02 -0.03 0.05 0.05 0.03 -0.02 -0.02 0.02 -0.05 -0.04 -0.06 0.01 -0.02 0.02 0.00 0.03 -0.00 0.01 -0.02 0.04 -0.07 -0.01 -0.11 -0.05 0.07 0.10 0.06 -0.02 0.01 -0.05 0.15 -0.02 0.00 0.01 0.04 -0.02 -0.01 0.02 -0.13 -0.08 -0.12 0.03 -0.02 -0.13 0.02 -0.04 0.04 -0.04 -0.01 0.01 0.08 0.06 0.09 0.07 0.09 -0.08 0.04 0.05 0.10 -0.04 -0.00 -0.01 -0.11 0.01 0.14 0.06 -0.04 -0.09 0.15 -0.03 0.15 -0.18 -0.26 -0.15 -0.11 0.14 -0.35 -0.24 0.12 0.11 -0.01 0.03 0.25 -0.16 0.36 0.01 -0.01 0.05 0.05 0.01 0.12 -0.25 -0.06 -0.01 0.05 0.13 -0.01 -0.03 0.08 0.06 0.10 -0.00 -0.01 -0.10 0.06 -0.05 -0.05 0.05 0.01 0.05 -0.10 -0.10 0.08 -0.06 0.04 -0.01 -0.01 0.02 -0.04 -0.08 0.00 0.03 -0.02 0.03 -0.03 0.00 0.02 -0.04 0.01 0.00 0.00 0.11 -0.08 -0.20 0.19 -0.10 0.06 0.09 0.10 0.06 0.02 -0.09 0.12 -0.15 -0.47 0.11 -0.30 0.06 0.34 0.08 -0.01 -0.06 -0.21 0.02 0.11 -0.14 0.04 -0.15 0.02 0.06 -0.11 0.08 0.10 -0.19 -0.07 -0.02 -0.01 -0.12 -0.03 -0.10 -0.11 0.02 0.04 -0.08 0.01 0.02 0.06 0.01 -0.03 -0.05 0.09 -0.09 0.05 -0.05 -0.01 -0.01 0.01 -0.03 -0.00 0.02 0.07 0.04 -0.02 -0.03 -0.03 -0.02 0.02 0.14 0.06 0.08 0.01 0.07 0.12 -0.13 -0.07 -0.02 0.02 -0.10 -0.01 -0.05 -0.05 -0.06 -0.02 0.03 -0.05 -0.06 0.13 -0.05 0.07 -0.04 -0.04 0.06 -0.03 0.03 0.01 -0.00 0.05 -0.01 0.03 -0.00 -0.23 -0.07 0.18 -0.27 0.05 -0.14 -0.05 -0.16 -0.06 0.12 -0.26 -0.01 -0.06 0.02 -0.08 -0.08 -0.07 -0.14 0.02 0.08 0.17 -0.20 0.07 0.05 -0.08 0.02 -0.15 0.02 -0.00 -0.18 0.03 0.22 -0.20 -0.25 0.05 0.12 -0.21 0.21 -0.19 0.07 -0.12 -0.06 0.06 0.01 -0.10 0.02 -0.02 0.04 0.08 -0.08 0.06 -0.04 0.11 0.01 -0.01 0.09 0.02 -0.07 -0.02 -0.09 0.01 0.00 0.00 -0.03 0.00 0.01 0.01 0.04 0.15 -0.01 -0.02 -0.02 0.03 0.05 0.00 0.04 -0.03 -0.11 0.03 0.06 -0.01 -0.13 0.04 0.04 0.05 -0.11 0.00 0.01 -0.00 -0.00 0.01 -0.01 0.00 -0.01 -0.01 -0.00 0.00 -0.00 -0.00 0.00 0.03 0.01 0.05 0.12 0.00 -0.26 -0.09 -0.36 0.39 -0.12 -0.31 0.05 0.14 -0.01 0.10 0.03 -0.05 -0.07 -0.01 -0.05 -0.31 0.15 0.09 -0.14 0.01 -0.01 -0.14 -0.05 -0.13 0.08 -0.02 -0.09 0.12 -0.15 -0.19 0.06 -0.32 0.11 0.01 -0.01 -0.01 0.02 -0.00 -0.01 -0.01 -0.00 0.00 0.01 -0.01 0.01 -0.01 0.01 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.01 0.02 -0.02 -0.00 -0.03 0.01 0.01 -0.02 0.06 -0.01 -0.05 0.05 -0.00 -0.02 0.05 -0.06 -0.05 0.08 0.02 -0.10 0.03 0.01 -0.02 -0.09 0.07 0.08 -0.03 -0.06 0.06 -0.11 -0.03 0.15 -0.07 0.06 -0.02 0.00 0.00 -0.01 0.07 -0.01 0.02 0.04 -0.16 0.05 -0.03 0.01 0.06 0.12 0.10 -0.16 0.07 0.11 -0.14 -0.15 0.02 -0.18 0.11 0.15 -0.06 0.06 0.01 -0.02 -0.10 0.07 0.14 -0.23 0.05 -0.17 -0.15 0.19 0.08 -0.01 -0.07 0.18 -0.03 -0.21 0.11 -0.19 0.04 0.02 -0.30 -0.07 0.04 -0.00 -0.19 0.20 -0.07 0.05 0.12 -0.06 -0.03 -0.02 0.21 0.01 -0.02 0.23 0.01 -0.18 -0.06 -0.15 0.02 0.01 -0.02 0.05 -0.04 -0.00 0.02 0.12 0.00 0.04 -0.01 0.08 -0.07 0.00 -0.03 -0.08 0.04 -0.00 0.03 -0.08 -0.02 -0.03 -0.11 0.08 0.10 0.03 -0.10 -0.00 0.11 -0.00 -0.12 0.05 -0.04 0.03 -0.01 0.03 -0.00 -0.06 0.01 -0.04 0.10 0.08 -0.16 -0.03 -0.09 -0.04 0.04 0.04 -0.12 -0.02 0.05 0.01 -0.04 -0.04 0.04 -0.09 -0.03 0.07 -0.01 0.08 -0.10 -0.10 0.12 0.18 -0.31 0.01 -0.24 -0.21 0.21 0.12 0.09 -0.17 0.16 -0.00 -0.26 0.10 -0.16 -0.01 0.04 0.27 0.03 0.02 0.01 0.15 -0.24 0.08 -0.04 -0.08 -0.00 0.09 -0.00 -0.17 -0.01 0.02 -0.21 0.01 0.16 0.05 0.11 0.12 0.00 -0.04 0.06 -0.11 0.05 -0.01 -0.07 0.01 -0.11 0.05 0.01 -0.01 0.07 -0.08 0.06 0.02 0.01 -0.16 0.10 0.01 0.01 0.02 -0.02 -0.04 -0.06 0.05 0.16 0.12 -0.08 -0.05 0.01 -0.03 -0.02 -0.08 0.04 -0.01 -0.05 0.00 -0.08 -0.05 -0.15 0.07 0.12 -0.03 0.12 0.09 0.05 -0.02 0.02 0.07 -0.23 -0.14 0.00 -0.24 0.20 0.21 -0.21 0.06 0.01 0.04 0.03 -0.05 -0.07 0.11 0.02 0.09 0.06 -0.08 -0.05 -0.09 0.09 -0.04 -0.04 0.09 -0.02 -0.01 0.04 0.19 0.26 -0.05 0.18 0.03 0.06 -0.34 0.08 -0.01 0.04 -0.17 0.24 -0.06 -0.13 -0.01 0.02 -0.15 0.05 0.11 0.02 0.05 0.03 0.01 -0.00 0.02 -0.02 0.01 0.02 0.06 -0.02 -0.06 -0.01 -0.05 0.01 -0.11 0.14 -0.08 -0.05 0.01 -0.05 0.09 0.05 0.02 -0.01 -0.01 0.02 0.08 -0.05 0.04 0.02 -0.02 0.00 -0.01 -0.00 -0.02 -0.02 -0.01 -0.00 -0.01 -0.00 0.21 -0.13 -0.34 0.30 -0.37 0.41 -0.20 -0.18 -0.06 0.07 -0.03 -0.10 0.06 0.31 0.10 0.02 -0.01 -0.18 -0.13 -0.03 -0.15 -0.01 -0.03 0.02 0.07 -0.08 -0.05 -0.04 -0.01 0.05 0.03 0.11 -0.08 -0.02 0.05 -0.03 0.00 0.09 -0.07 0.05 0.04 -0.02 0.05 0.01 -0.00 -0.05 0.01 0.00 0.02 -0.05 0.05 -0.01 -0.02 -0.00 0.00 -0.01 0.01 0.01 -0.00 -0.00 0.03 -0.10 0.04 -0.11 0.03 0.05 -0.00 0.00 -0.02 0.05 0.06 -0.15 0.00 -0.01 0.02 0.01 -0.01 0.01 0.01 0.02 -0.01 -0.01 -0.00 0.00 0.01 0.02 -0.01 0.00 0.01 -0.01 -0.02 0.02 -0.02 0.04 -0.05 0.01 -0.01 0.00 0.00 0.01 -0.03 -0.02 0.03 -0.03 0.05 -0.01 -0.03 -0.01 0.02 0.02 -0.02 0.09 -0.11 0.07 -0.11 0.07 0.02 0.20 0.37 0.81 -0.02 -0.02 0.01 -0.01 -0.01 -0.01 -0.02 -0.00 0.01 0.00 0.00 0.01 0.02 0.03 -0.01 0.02 0.02 -0.01 -0.06 0.06 0.01 -0.02 0.01 0.02 -0.14 0.05 -0.01 0.01 -0.02 0.09 -0.02 -0.05 -0.00 0.00 -0.02 0.02 0.03 0.03 0.04 -0.02 0.12 -0.07 0.08 -0.05 0.01 -0.02 -0.01 -0.03 -0.09 -0.07 -0.01 0.03 -0.01 0.03 0.08 0.02 -0.00 -0.04 -0.06 0.00 -0.04 0.01 0.03 0.02 0.02 -0.02 0.01 0.02 0.00 0.00 -0.03 0.04 -0.08 0.01 0.01 -0.00 -0.02 -0.00 -0.03 -0.03 0.10 0.03 0.10 0.02 0.10 0.05 0.00 0.04 0.07 -0.00 -0.02 0.22 -0.04 0.15 -0.18 -0.16 0.13 0.15 0.72 -0.02 -0.00 0.02 -0.04 0.02 0.04 -0.03 0.02 0.03 0.01 -0.03 0.02 0.06 0.05 -0.04 0.04 0.01 0.00 0.08 -0.10 -0.02 0.04 0.04 -0.07 0.26 -0.03 0.03 -0.07 0.00 -0.20 0.08 0.09 0.01 -0.03 -0.06 -0.11 -0.00 -0.04 -0.07 -0.02 -0.01 0.05 0.01 0.02 0.02 -0.08 0.00 -0.07 -0.02 0.04 0.01 0.07 -0.10 0.07 0.13 -0.04 0.01 -0.02 -0.02 -0.02 -0.09 0.04 0.08 0.04 0.07 -0.06 0.01 0.01 -0.02 0.06 -0.01 -0.04 -0.05 -0.04 -0.09 0.02 -0.00 -0.01 -0.15 -0.19 0.39 -0.11 0.18 -0.13 0.17 0.03 0.02 0.05 0.08 0.00 -0.05 -0.03 -0.05 -0.10 -0.01 -0.08 -0.08 -0.04 -0.25 -0.02 0.02 0.04 -0.06 0.03 0.10 -0.12 0.06 0.15 0.04 -0.01 -0.01 0.14 0.13 -0.10 0.07 0.03 -0.02 -0.04 0.11 0.01 -0.00 -0.02 0.05 -0.31 -0.03 -0.04 0.17 -0.02 0.32 -0.18 -0.13 -0.02 0.06 0.18 0.19 -0.10 -0.06 0.04 -0.07 -0.03 -0.03 0.00 -0.04 -0.10 0.01 -0.00 0.01 -0.05 -0.07 -0.07 -0.00 0.02 0.01 0.01 0.02 -0.00 -0.02 -0.03 0.01 0.01 -0.01 -0.01 -0.00 -0.01 0.01 -0.00 -0.01 -0.04 0.09 -0.02 -0.05 0.06 0.21 0.28 0.03 0.00 -0.01 0.03 0.03 -0.04 0.05 0.01 0.05 0.00 0.02 -0.01 0.02 0.03 -0.01 0.00 0.12 -0.00 0.09 -0.10 -0.08 0.12 -0.05 0.09 -0.00 -0.01 -0.00 0.00 0.00 -0.00 0.02 -0.00 -0.02 -0.00 -0.01 0.01 -0.00 -0.01 0.01 -0.00 -0.01 0.01 0.00 0.19 0.00 -0.04 -0.09 0.14 -0.41 -0.04 -0.04 0.23 -0.00 0.43 -0.24 -0.14 -0.02 0.08 0.29 0.27 -0.16 -0.09 0.03 0.04 -0.05 -0.05 -0.05 -0.04 -0.03 -0.05 -0.00 -0.05 0.01 0.01 -0.06 0.03 -0.06 0.03 0.08 -0.05 0.02 -0.02 0.05 -0.02 -0.06 0.03 0.05 0.03 0.05 -0.04 0.01 -0.00 0.01 -0.08 0.02 0.04 0.09 0.07 0.18 -0.03 0.01 0.02 -0.12 -0.17 0.15 -0.05 0.07 -0.05 0.09 -0.02 0.02 0.04 0.02 0.00 -0.03 -0.12 0.01 -0.16 0.11 0.04 -0.08 -0.07 -0.36 -0.01 0.01 0.03 -0.04 0.03 0.07 -0.08 0.04 0.10 0.03 0.00 -0.01 0.08 0.09 -0.06 0.05 0.03 -0.02 0.07 -0.09 -0.01 0.01 0.02 -0.03 0.33 0.08 0.04 -0.20 -0.02 -0.37 0.23 0.16 0.03 -0.08 -0.26 -0.25 0.15 0.10 -0.03 -0.03 0.01 -0.01 -0.01 -0.04 0.02 0.00 0.04 0.03 -0.03 0.07 -0.04 0.08 -0.04 0.12 -0.03 0.12 0.05 0.02 -0.08 -0.12 0.07 -0.03 -0.08 -0.03 -0.04 0.03 0.02 0.09 -0.01 0.05 -0.01 0.04 -0.03 -0.00 0.03 -0.02 -0.07 -0.02 0.10 0.10 0.33 -0.19 -0.14 -0.06 -0.30 -0.04 -0.14 0.29 0.26 -0.23 -0.08 -0.35 -0.14 -0.22 0.05 0.02 -0.10 0.05 -0.12 0.05 -0.06 -0.04 0.11 -0.08 -0.11 0.04 -0.03 -0.02 -0.01 -0.04 0.02 -0.02 -0.03 0.03 -0.04 -0.07 0.04 -0.01 -0.02 -0.03 -0.06 0.18 -0.09 0.09 0.01 0.04 0.04 -0.07 -0.01 0.01 0.02 -0.01 -0.04 -0.05 -0.07 -0.07 -0.11 -0.10 -0.05 0.04 -0.02 -0.00 -0.03 0.01 -0.00 -0.03 -0.01 0.03 -0.00 -0.02 -0.00 0.01 -0.08 -0.05 -0.13 -0.00 0.12 0.09 0.05 -0.03 0.02 0.04 0.03 0.04 -0.03 -0.04 0.17 0.03 0.12 0.01 0.09 -0.01 -0.01 0.03 -0.04 -0.17 -0.07 -0.03 -0.02 -0.07 -0.02 -0.00 -0.09 0.06 -0.09 0.08 -0.17 -0.21 0.12 0.10 -0.15 0.09 0.07 0.18 0.28 -0.04 0.03 0.02 -0.03 0.03 0.02 -0.05 0.04 0.06 -0.03 0.01 0.02 0.01 0.07 -0.04 -0.02 0.01 -0.00 0.02 0.08 -0.06 -0.11 -0.10 -0.02 -0.22 0.43 -0.22 0.10 -0.06 0.08 0.13 0.00 0.10 -0.12 -0.08 -0.06 -0.05 -0.00 -0.03 -0.22 -0.29 -0.18 -0.01 0.14 -0.06 0.00 -0.08 0.05 -0.01 -0.02 -0.01 -0.01 0.00 -0.02 0.03 0.00 -0.01 -0.05 -0.06 0.06 0.12 0.07 -0.03 -0.01 0.00 0.01 0.02 0.03 -0.03 -0.05 -0.11 -0.01 -0.04 -0.04 -0.04 -0.03 -0.04 0.04 0.06 0.08 0.04 0.01 0.00 0.04 -0.15 -0.16 -0.12 -0.19 -0.20 -0.02 0.11 -0.05 -0.06 -0.00 -0.40 -0.04 -0.05 0.27 0.37 -0.13 0.07 0.11 0.01 -0.01 -0.00 -0.00 0.00 0.02 -0.02 0.01 0.03 0.00 0.04 -0.01 -0.01 0.02 0.01 0.03 0.08 -0.05 0.10 0.11 0.02 0.12 -0.33 0.19 -0.07 -0.05 -0.04 -0.04 0.17 0.01 -0.05 0.05 0.04 0.08 0.23 0.15 -0.05 0.02 0.05 -0.04 -0.01 0.04 0.00 -0.00 0.00 0.01 0.03 0.02 -0.02 0.03 -0.03 0.05 -0.03 -0.00 -0.06 -0.04 -0.06 0.04 0.00 0.04 0.02 -0.00 -0.02 -0.01 -0.01 0.02 0.01 0.01 -0.10 0.01 -0.04 0.00 -0.03 0.00 -0.00 0.01 -0.02 0.06 0.03 0.05 0.20 0.01 0.17 -0.07 0.13 0.14 0.06 -0.25 -0.08 0.11 0.05 0.05 0.05 0.02 -0.02 -0.04 -0.04 0.04 -0.02 -0.02 0.01 0.01 0.02 -0.02 -0.04 0.01 -0.03 -0.03 0.01 0.03 -0.03 -0.03 -0.04 -0.00 -0.04 -0.04 0.01 0.01 0.41 -0.02 0.06 -0.21 0.23 0.04 0.32 0.05 0.01 -0.16 -0.06 0.18 0.39 0.11 -0.06 0.00 -0.18 -0.08 -0.14 -0.26 -0.00 -0.03 0.03 0.01 0.03 -0.02 -0.01 -0.06 -0.04 0.03 -0.04 0.05 -0.08 0.06 -0.02 0.07 0.04 0.09 -0.02 -0.02 -0.05 -0.04 0.01 0.04 0.02 0.02 -0.03 -0.03 0.02 -0.06 0.03 -0.01 0.01 0.01 0.01 -0.03 0.00 -0.05 0.03 -0.01 -0.02 -0.33 -0.01 -0.27 0.11 -0.18 -0.23 -0.06 0.35 0.07 -0.13 -0.04 -0.06 -0.06 0.05 -0.00 0.08 0.10 -0.06 0.02 0.02 -0.00 -0.01 -0.06 0.05 0.09 -0.01 0.04 0.04 -0.02 -0.03 0.04 0.03 0.06 0.01 0.07 0.10 -0.04 -0.06 0.31 0.00 -0.02 -0.10 0.16 0.02 0.27 0.06 0.02 -0.06 -0.00 0.10 0.28 0.07 -0.06 0.02 -0.14 -0.12 -0.19 -0.24 -0.12 -0.07 0.07 0.03 0.05 -0.04 0.01 -0.06 -0.01 -0.07 -0.02 0.01 0.04 0.05 -0.02 -0.06 -0.04 0.05 0.08 -0.01 -0.00 -0.03 0.00 0.03 0.04 0.03 -0.03 0.17 0.02 -0.03 0.00 -0.03 -0.04 -0.08 0.06 -0.01 -0.04 0.08 0.02 0.10 0.15 0.04 -0.08 -0.09 -0.09 -0.15 -0.17 0.00 0.06 -0.07 -0.03 -0.06 -0.11 -0.08 0.15 0.04 0.21 -0.01 0.00 0.09 -0.00 0.01 0.00 -0.05 0.05 0.07 0.01 0.01 0.00 -0.01 0.06 -0.02 -0.05 -0.01 0.04 0.05 0.13 -0.08 0.04 -0.13 -0.05 0.07 0.12 -0.13 -0.03 -0.07 -0.04 0.03 -0.43 -0.06 0.15 -0.10 -0.01 -0.02 -0.28 -0.07 0.32 0.33 0.20 -0.02 -0.02 0.02 0.02 0.03 -0.03 -0.07 0.13 0.00 -0.00 -0.08 0.03 -0.03 -0.10 -0.06 0.08 -0.02 0.05 0.04 0.11 0.06 0.07 0.00 -0.11 -0.08 -0.02 0.05 0.02 0.01 -0.01 0.01 -0.01 -0.01 -0.02 0.02 -0.01 -0.01 0.01 0.01 -0.32 -0.40 -0.03 -0.17 -0.11 -0.17 -0.07 0.04 -0.09 0.17 -0.01 -0.04 -0.03 -0.00 0.03 0.14 0.13 0.24 0.02 -0.03 0.18 0.07 -0.14 -0.02 0.23 -0.18 -0.20 -0.10 0.01 0.15 0.03 -0.14 0.04 0.16 0.12 -0.11 -0.10 -0.27 0.16 -0.02 0.01 -0.00 -0.01 0.02 -0.01 -0.02 0.01 -0.00 0.02 -0.10 0.00 0.04 0.01 0.01 -0.01 -0.06 -0.03 0.05 0.04 0.01 0.13 -0.09 0.01 0.04 0.09 -0.06 -0.02 -0.04 0.05 -0.08 -0.09 0.04 0.15 -0.00 -0.01 -0.12 -0.03 0.05 -0.07 0.08 -0.01 0.02 -0.04 -0.02 0.05 0.05 -0.03 -0.04 -0.05 0.03 -0.02 0.10 0.03 0.00 0.05 -0.03 -0.01 -0.07 -0.03 0.02 0.06 0.36 -0.12 0.16 -0.24 -0.24 -0.00 -0.06 0.02 -0.02 -0.04 -0.34 0.08 -0.21 0.07 0.07 0.11 -0.06 -0.03 0.26 0.04 -0.00 -0.05 -0.03 0.04 0.05 0.07 -0.02 -0.06 0.03 0.11 -0.06 -0.05 -0.02 0.01 0.02 0.08 -0.07 0.03 -0.04 0.03 0.04 -0.09 0.04 0.01 0.19 0.04 -0.04 0.35 0.02 -0.09 -0.01 -0.03 -0.02 0.06 -0.01 -0.14 -0.15 -0.09 -0.01 0.01 -0.00 -0.01 -0.01 0.01 -0.07 -0.05 0.09 0.02 0.01 -0.00 -0.02 -0.03 -0.01 -0.00 0.04 -0.01 0.00 0.01 0.02 0.05 -0.12 -0.02 0.01 0.14 -0.03 -0.01 0.02 -0.00 0.00 -0.03 -0.01 0.01 -0.01 0.00 0.01 0.02 0.01 -0.05 -0.07 -0.04 -0.01 -0.01 -0.01 -0.03 0.11 -0.05 0.01 0.03 -0.00 0.05 0.02 0.05 -0.01 -0.00 -0.02 0.01 -0.00 -0.03 0.10 0.14 -0.19 -0.28 0.27 0.24 0.36 -0.06 -0.39 0.19 -0.00 -0.12 0.26 0.23 -0.26 -0.08 -0.27 0.12 -0.03 0.02 -0.00 -0.03 0.03 -0.01 -0.00 -0.06 -0.01 0.01 -0.10 -0.01 0.03 0.02 0.01 0.01 -0.00 0.00 0.03 0.03 0.02 -0.07 -0.00 0.03 -0.00 -0.01 0.01 -0.02 0.03 -0.00 -0.03 0.05 -0.01 -0.04 0.04 0.01 0.05 -0.04 0.00 0.07 -0.06 -0.00 0.01 -0.01 -0.01 -0.04 0.02 0.01 0.15 -0.11 -0.02 -0.03 0.17 0.05 -0.03 0.01 0.01 -0.04 -0.08 -0.07 0.07 0.09 -0.13 0.06 -0.07 0.10 0.09 -0.10 0.06 -0.00 -0.09 0.06 0.12 -0.07 0.04 0.04 -0.04 0.02 -0.04 0.03 -0.07 0.02 0.02 -0.03 -0.02 0.02 0.02 0.04 0.00 -0.03 0.07 -0.08 -0.01 0.15 0.13 -0.13 -0.07 -0.20 0.11 0.28 -0.14 -0.03 0.20 -0.20 0.07 0.07 0.34 0.07 -0.07 0.51 0.00 -0.14 -0.14 -0.08 -0.02 0.01 0.00 -0.11 -0.11 -0.03 -0.04 0.01 0.01 0.00 -0.00 0.00 0.06 -0.07 0.01 0.00 -0.01 -0.01 -0.06 -0.15 -0.03 -0.02 0.19 -0.08 0.04 0.05 0.09 -0.02 -0.00 0.06 0.06 -0.04 -0.03 0.06 -0.04 -0.01 -0.00 0.05 0.01 -0.00 -0.00 0.00 -0.02 -0.02 -0.02 -0.24 -0.32 0.01 -0.25 -0.21 -0.17 -0.03 0.28 -0.11 0.01 0.29 -0.13 0.08 0.04 0.12 0.04 0.04 0.05 -0.03 0.01 0.02 -0.09 0.08 0.06 -0.10 0.06 0.04 0.07 -0.04 -0.13 -0.11 0.07 0.06 -0.19 -0.17 0.19 0.13 0.30 -0.15 0.09 -0.04 -0.01 0.06 -0.06 0.03 0.02 0.11 0.02 -0.01 0.14 0.01 -0.04 -0.05 -0.03 -0.01 -0.02 -0.00 -0.02 -0.02 -0.00 -0.03 0.02 0.00 -0.02 -0.03 0.03 -0.02 -0.02 0.03 0.03 0.05 -0.04 0.03 0.00 -0.09 -0.01 0.01 0.09 -0.03 -0.04 0.08 -0.05 -0.01 -0.08 0.05 0.01 0.00 0.03 0.00 -0.01 -0.01 -0.00 0.01 0.01 -0.02 0.00 0.01 -0.00 -0.01 -0.06 -0.02 0.05 0.05 0.19 -0.10 -0.28 0.15 -0.18 0.25 -0.20 0.00 0.06 0.23 0.10 0.06 -0.15 -0.16 0.12 0.01 -0.13 0.35 -0.22 -0.24 0.11 -0.00 0.17 -0.10 0.18 0.33 0.04 0.16 -0.10 -0.12 -0.12 0.05 -0.04 0.06 -0.08 0.04 -0.01 -0.01 0.02 -0.00 0.00 0.03 -0.02 0.00 -0.02 0.04 -0.02 -0.03 -0.01 -0.01 0.02 0.04 0.03 -0.03 -0.02 0.01 0.01 0.03 -0.01 0.01 0.00 -0.00 0.03 0.02 -0.04 0.00 -0.03 0.02 -0.01 -0.01 0.05 0.01 0.00 -0.05 -0.00 0.03 -0.05 -0.07 -0.01 -0.01 0.03 0.00 0.10 -0.04 -0.05 -0.00 0.08 0.04 0.01 0.01 -0.00 -0.00 -0.07 0.00 -0.02 -0.01 -0.05 -0.03 -0.01 -0.05 0.06 0.11 -0.02 0.05 -0.10 0.11 -0.02 -0.03 -0.11 -0.04 -0.06 0.08 0.05 -0.04 -0.00 0.09 0.25 -0.07 -0.20 -0.04 0.10 0.24 0.01 0.14 0.13 0.20 0.31 -0.30 -0.17 -0.27 -0.05 -0.27 -0.22 -0.01 -0.00 0.07 0.02 -0.10 -0.07 0.10 -0.06 0.12 0.02 0.12 -0.08 0.10 0.08 -0.09 -0.03 -0.07 -0.25 -0.10 0.14 0.13 0.05 -0.01 0.07 -0.01 -0.01 -0.03 0.02 -0.03 -0.01 0.04 0.04 0.00 -0.01 0.03 0.01 -0.02 -0.02 -0.01 0.04 -0.04 0.00 0.00 0.05 0.01 -0.00 -0.01 0.00 -0.07 -0.05 -0.09 -0.01 0.14 0.06 0.02 0.03 -0.03 0.00 -0.12 0.01 -0.03 -0.01 0.01 0.04 0.06 0.14 -0.02 -0.11 0.06 -0.05 0.06 -0.10 0.02 -0.01 0.07 0.01 -0.04 -0.03 -0.08 0.06 -0.01 -0.04 -0.15 0.02 0.13 0.04 -0.07 -0.17 -0.03 -0.09 -0.07 -0.14 -0.19 0.20 0.10 0.17 0.05 0.19 0.17 -0.01 0.02 0.13 0.03 -0.17 -0.12 0.17 -0.07 0.18 0.05 0.18 -0.12 0.14 0.12 -0.17 -0.05 -0.10 -0.40 -0.14 0.23 0.23 0.09 0.21 -0.06 -0.04 0.02 0.00 -0.01 0.05 0.00 -0.02 -0.18 0.14 -0.05 -0.05 -0.04 -0.07 0.05 0.04 0.00 0.14 -0.11 0.14 -0.05 -0.01 0.01 -0.05 -0.01 -0.01 -0.14 -0.02 0.05 0.06 0.00 -0.01 -0.11 0.07 0.00 -0.04 0.01 0.01 0.17 0.24 0.03 -0.19 -0.33 -0.13 0.02 -0.11 0.01 0.13 -0.13 0.03 0.15 0.10 0.12 0.21 -0.17 0.04 -0.27 0.14 -0.10 0.13 -0.02 -0.11 -0.04 0.06 0.15 0.03 0.10 0.08 -0.01 -0.16 0.08 0.14 0.15 -0.05 0.04 -0.06 0.08 -0.05 0.04 0.04 -0.05 -0.05 0.03 -0.09 -0.02 -0.01 0.08 -0.06 0.08 0.09 -0.00 0.01 -0.05 -0.16 -0.08 0.09 0.08 0.00 0.02 -0.02 0.05 0.00 0.02 -0.01 0.00 0.00 -0.02 -0.00 0.00 -0.00 0.01 -0.00 -0.01 0.00 -0.00 0.00 -0.00 -0.00 0.01 0.00 0.00 0.01 -0.00 -0.00 0.01 -0.04 0.03 -0.16 -0.01 -0.05 0.16 -0.00 0.00 -0.00 0.01 0.04 -0.09 0.02 0.03 0.02 -0.04 -0.05 -0.04 0.00 -0.06 0.02 0.00 0.03 -0.02 -0.05 0.03 -0.03 0.04 -0.02 0.01 0.02 0.00 0.00 -0.04 0.03 0.02 -0.01 -0.00 -0.02 0.01 -0.01 -0.03 0.02 0.02 -0.03 -0.01 -0.02 -0.02 -0.03 -0.04 0.01 0.29 0.34 -0.12 -0.24 -0.09 0.27 0.33 -0.26 0.12 -0.12 0.03 -0.20 -0.18 -0.34 -0.13 0.11 0.03 0.22 -0.00 0.11 0.24 -0.02 -0.00 0.01 0.01 0.02 -0.02 0.09 0.03 0.08 0.00 -0.05 0.03 -0.02 -0.02 0.06 -0.01 0.01 -0.06 0.01 0.04 -0.05 -0.09 -0.03 -0.05 -0.05 -0.03 -0.08 0.01 0.01 -0.02 -0.01 -0.01 0.01 0.01 -0.00 -0.00 0.01 0.00 -0.01 0.05 0.04 0.02 0.04 0.02 0.09 0.09 0.14 -0.01 -0.07 -0.17 0.10 0.01 -0.14 -0.02 -0.14 0.11 0.02 -0.10 -0.01 0.09 0.34 -0.14 -0.27 -0.01 0.09 0.31 0.01 0.21 0.23 -0.17 -0.30 0.27 0.17 0.25 0.06 0.25 0.16 0.04 0.02 0.03 -0.01 -0.02 0.00 0.02 0.04 -0.02 0.01 -0.02 0.00 -0.03 -0.03 -0.03 -0.01 0.01 0.02 0.03 -0.01 -0.00 0.02 -0.05 0.03 -0.00 -0.02 -0.02 0.02 0.11 0.04 -0.08 0.06 -0.01 -0.03 0.06 -0.03 -0.05 -0.03 0.02 0.01 -0.08 0.05 0.08 -0.04 -0.01 0.06 -0.08 -0.01 0.02 0.03 -0.00 0.01 -0.00 0.00 -0.01 0.05 -0.04 -0.00 0.00 -0.00 0.01 0.17 0.24 0.20 -0.27 -0.24 -0.26 -0.01 -0.41 0.14 0.05 0.04 -0.05 -0.31 0.25 -0.13 0.05 -0.05 -0.07 0.18 -0.03 -0.04 0.02 0.07 -0.05 -0.11 0.09 0.12 0.09 0.04 -0.06 0.03 -0.17 0.04 0.13 0.12 -0.09 -0.03 -0.18 0.14 -0.03 -0.03 0.01 0.00 0.02 -0.02 -0.02 0.03 -0.01 0.01 -0.00 0.02 0.01 0.03 0.01 -0.01 0.01 -0.02 -0.00 -0.01 -0.02 -0.05 0.04 -0.00 -0.00 0.07 -0.04 -0.03 -0.05 -0.01 -0.09 -0.02 0.02 -0.03 -0.01 -0.01 0.03 0.03 -0.00 0.04 -0.03 0.05 0.02 0.03 -0.01 0.01 0.02 0.01 0.03 -0.01 -0.00 -0.01 -0.01 -0.00 0.22 -0.10 0.00 0.01 -0.00 0.00 0.15 0.22 0.07 -0.05 -0.13 -0.01 -0.00 0.08 -0.05 0.07 -0.20 0.08 -0.08 0.04 -0.03 -0.19 -0.01 -0.12 -0.71 0.15 0.16 -0.05 -0.06 0.08 0.07 -0.05 -0.09 -0.09 -0.03 0.05 0.05 0.03 -0.05 0.01 -0.02 -0.05 -0.06 -0.06 0.01 -0.15 0.06 0.03 -0.19 0.10 0.02 0.01 0.02 -0.00 -0.01 -0.00 -0.01 -0.01 0.02 0.00 0.01 0.03 0.01 -0.01 -0.01 0.00 -0.01 0.01 -0.01 -0.00 0.02 -0.01 0.03 0.13 -0.06 -0.05 0.02 0.01 0.04 0.02 -0.02 -0.04 -0.02 0.07 0.02 -0.06 -0.00 -0.01 -0.08 0.04 -0.01 -0.07 -0.00 0.01 -0.00 0.01 -0.00 -0.01 0.01 0.07 -0.03 0.00 0.00 0.00 -0.01 -0.29 -0.40 -0.11 0.22 0.35 0.04 -0.13 -0.20 0.05 0.04 0.13 -0.07 0.11 -0.01 0.05 0.10 -0.08 0.03 -0.25 0.07 0.03 0.02 0.20 -0.12 -0.23 0.16 0.15 0.22 0.00 -0.16 -0.11 -0.01 0.07 -0.06 -0.04 0.12 0.05 0.10 -0.04 -0.18 0.06 0.03 0.03 -0.00 -0.02 0.03 0.08 0.02 -0.01 -0.03 -0.01 -0.02 -0.03 -0.01 0.02 0.01 0.03 -0.00 0.01 0.03 0.01 0.01 0.04 -0.00 0.01 -0.00 0.00 0.02 -0.00 -0.01 0.00 -0.00 0.01 0.01 -0.00 -0.00 -0.01 0.01 0.00 -0.01 -0.00 -0.00 -0.01 0.00 0.00 -0.01 -0.00 -0.00 -0.01 -0.03 -0.01 0.03 -0.06 0.01 -0.00 -0.00 -0.01 -0.02 0.06 -0.05 -0.06 -0.02 0.03 0.04 0.01 -0.01 -0.03 0.01 -0.01 0.03 -0.01 -0.01 0.00 -0.01 0.03 -0.01 0.02 -0.03 0.01 0.01 0.01 0.02 -0.02 -0.03 0.02 0.02 0.03 -0.00 -0.02 -0.02 0.00 0.01 -0.01 -0.01 0.02 0.01 0.02 -0.01 0.61 -0.20 -0.10 -0.52 0.18 0.16 -0.13 -0.30 -0.11 0.02 0.12 0.04 0.09 0.16 0.08 -0.07 0.01 -0.12 0.02 -0.05 -0.13 0.01 -0.01 0.01 0.02 0.01 -0.01 0.09 -0.06 -0.10 0.02 -0.05 0.03 0.00 -0.05 -0.04 -0.06 0.06 0.06 0.01 0.03 -0.03 -0.01 0.03 0.05 -0.06 0.03 0.04 -0.01 0.00 -0.00 0.00 0.01 -0.00 -0.06 0.03 0.01 -0.00 -0.00 0.00 0.02 0.02 0.06 0.19 0.36 0.02 -0.20 0.08 -0.09 0.17 -0.22 0.03 0.41 -0.13 0.29 -0.37 0.10 -0.23 -0.12 -0.01 0.08 -0.08 0.02 0.08 -0.01 -0.02 -0.05 -0.03 -0.04 -0.02 0.13 -0.11 -0.05 0.08 0.05 -0.15 -0.08 -0.20 0.13 0.09 -0.03 -0.02 0.02 -0.02 0.00 -0.01 -0.02 -0.01 0.00 -0.01 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.01 0.00 -0.00 -0.01 0.00 -0.01 0.00 0.01 -0.00 -0.00 -0.10 0.12 -0.03 0.03 -0.04 0.01 -0.03 -0.03 -0.02 0.08 -0.01 0.03 -0.01 0.05 0.01 0.02 -0.08 0.01 0.05 -0.07 -0.00 -0.00 -0.00 0.00 -0.00 0.01 -0.00 -0.05 0.02 0.00 0.00 -0.00 -0.00 0.28 0.40 0.12 -0.09 -0.16 -0.04 0.01 0.06 -0.05 0.12 -0.32 0.13 0.10 -0.03 0.10 -0.33 0.09 -0.22 -0.02 -0.02 0.04 -0.00 0.17 -0.10 -0.17 0.10 0.05 0.19 -0.02 -0.16 -0.15 0.14 0.04 -0.14 -0.15 0.17 0.00 0.19 -0.16 0.07 -0.04 -0.01 0.02 -0.01 0.00 -0.01 0.03 0.00 0.00 -0.07 -0.02 -0.01 -0.01 -0.00 0.01 0.01 0.00 -0.01 -0.01 0.00 -0.02 -0.02 0.00 0.00 0.01 -0.01 -0.01 0.01 -0.00 0.00 -0.01 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.01 0.00 0.00 -0.00 0.00 0.01 0.04 -0.04 0.04 -0.04 0.00 0.01 -0.01 0.00 -0.06 0.00 0.05 0.01 0.02 0.01 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.01 -0.03 0.01 -0.01 -0.00 -0.00 -0.02 0.00 -0.02 -0.02 0.00 0.01 0.00 0.01 -0.01 -0.02 0.01 0.00 0.01 -0.01 -0.01 -0.01 0.01 0.00 -0.01 -0.01 0.01 -0.00 0.01 -0.01 -0.15 0.15 -0.02 0.32 -0.12 -0.08 0.04 -0.51 -0.07 0.04 0.64 0.18 0.17 0.06 0.05 -0.09 -0.17 -0.11 0.10 0.07 -0.06 -0.00 -0.00 0.00 0.01 0.01 -0.01 -0.02 -0.00 0.07 0.01 -0.02 0.02 0.03 0.02 -0.06 0.00 -0.03 -0.00 -0.01 -0.00 0.02 -0.00 0.01 -0.04 0.01 0.01 -0.02 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.02 0.01 0.00 0.00 0.00 0.00 0.03 0.03 -0.04 -0.09 -0.03 -0.15 0.10 -0.42 0.19 -0.10 0.53 -0.19 0.31 0.01 0.25 -0.31 0.01 -0.28 -0.17 0.02 0.04 0.01 -0.08 0.02 0.08 -0.02 0.05 -0.04 0.04 0.09 -0.02 0.04 0.00 0.01 0.04 0.05 0.04 0.03 -0.01 0.02 -0.01 -0.00 0.03 -0.02 -0.00 0.00 -0.01 -0.00 0.00 -0.01 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.01 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.01 -0.00 -0.00 0.02 0.04 0.02 -0.01 0.01 -0.01 0.01 -0.02 0.02 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.04 0.00 -0.02 0.01 0.14 0.02 0.01 0.00 -0.01 0.04 0.00 0.03 -0.12 -0.16 -0.07 -0.07 -0.09 -0.03 -0.00 -0.01 0.00 -0.01 -0.13 0.06 -0.10 0.02 -0.07 -0.11 -0.02 -0.10 -0.09 0.02 0.02 0.00 -0.00 -0.00 0.01 -0.01 -0.01 0.00 -0.00 -0.01 0.00 -0.01 0.01 -0.00 -0.00 -0.01 -0.01 -0.01 0.00 0.07 -0.06 -0.03 0.36 -0.27 0.02 0.01 -0.49 -0.07 0.04 -0.48 -0.05 -0.15 -0.11 0.01 -0.03 -0.10 -0.18 -0.17 -0.17 -0.15 -0.01 0.01 -0.00 -0.00 0.01 -0.00 0.01 0.01 0.01 -0.01 0.01 0.00 -0.09 -0.12 -0.05 0.02 -0.03 0.03 -0.02 0.03 -0.03 0.00 -0.01 -0.01 -0.00 -0.01 -0.00 -0.00 -0.01 -0.01 -0.00 0.06 0.01 0.03 -0.02 0.00 0.01 -0.00 0.01 0.29 0.41 0.16 0.27 0.33 0.14 -0.01 0.05 -0.02 0.02 0.39 -0.16 0.02 -0.01 0.02 0.31 0.02 0.29 0.01 0.00 -0.02 -0.03 0.02 0.01 -0.02 0.03 0.03 -0.01 0.01 0.05 0.00 0.03 -0.02 0.02 0.02 0.01 0.02 0.03 -0.00 -0.04 0.02 0.00 0.07 -0.07 0.01 0.01 -0.21 -0.03 0.01 -0.17 -0.02 -0.06 -0.03 0.01 -0.01 -0.03 -0.07 -0.06 -0.06 -0.06 0.00 0.01 -0.01 0.00 0.01 -0.01 0.01 0.01 -0.01 -0.02 0.01 0.02 0.06 0.03 0.02 -0.01 -0.03 -0.00 -0.10 -0.01 -0.06 -0.00 -0.00 0.01 -0.01 -0.00 0.01 0.03 -0.04 -0.01 -0.01 0.04 0.01 0.02 -0.02 0.01 0.00 -0.02 0.00 0.03 0.01 0.04 -0.26 -0.31 -0.15 0.04 0.25 -0.05 0.03 -0.08 -0.01 0.54 0.06 0.40 0.25 -0.02 0.26 0.04 -0.01 -0.01 0.00 0.01 -0.00 0.00 -0.01 0.00 0.03 0.00 -0.04 0.01 -0.00 -0.01 0.02 0.01 -0.03 -0.00 0.02 -0.01 -0.19 0.14 0.04 -0.13 0.06 -0.00 0.01 -0.18 -0.03 -0.01 -0.06 -0.01 -0.02 0.06 0.01 -0.01 0.05 -0.01 0.01 -0.01 0.01 0.02 0.01 -0.01 0.00 -0.01 0.00 -0.01 -0.00 0.01 0.00 -0.00 -0.00 -0.01 -0.02 -0.01 0.00 0.04 -0.01 0.03 0.01 0.01 -0.00 0.01 -0.00 0.01 0.01 -0.01 0.05 -0.07 -0.01 -0.02 0.08 0.02 -0.03 0.01 0.00 -0.03 -0.09 -0.03 -0.02 -0.03 -0.01 0.08 0.12 0.04 -0.00 -0.24 0.07 -0.01 -0.09 0.06 -0.12 -0.05 -0.09 -0.07 0.01 -0.09 0.10 -0.02 -0.01 0.03 -0.03 -0.01 0.02 -0.02 -0.02 -0.01 -0.01 -0.01 -0.02 -0.01 0.03 -0.04 -0.02 0.03 -0.02 -0.04 0.00 -0.31 0.29 0.07 -0.20 0.10 -0.04 0.04 -0.34 -0.04 -0.01 -0.14 -0.02 0.10 0.39 0.04 -0.01 0.36 0.16 0.25 0.13 0.20 -0.00 -0.00 0.00 -0.00 -0.01 0.00 0.04 0.01 -0.03 0.01 -0.01 -0.01 -0.01 0.05 -0.00 -0.01 -0.12 0.05 0.03 -0.01 0.03 -0.00 -0.01 0.01 -0.04 -0.02 0.02 -0.01 0.00 -0.00 0.00 0.01 0.00 -0.01 0.01 -0.00 -0.02 -0.04 -0.02 -0.00 0.03 -0.07 -0.08 -0.14 -0.02 -0.05 0.61 -0.21 -0.00 0.38 -0.19 -0.16 0.06 -0.11 -0.23 0.02 -0.15 -0.05 0.01 0.01 -0.05 0.07 0.01 -0.05 0.04 0.03 0.01 0.02 0.05 0.08 0.03 -0.11 0.13 0.08 -0.09 0.07 0.12 0.01 0.03 -0.00 -0.01 0.05 -0.03 -0.01 0.01 -0.04 -0.00 0.01 -0.05 0.00 0.08 0.18 0.01 0.01 0.17 0.11 0.14 0.09 0.11 -0.02 -0.01 0.01 -0.00 0.01 -0.00 -0.01 -0.00 0.01 0.00 0.00 0.00 0.01 -0.01 0.00 0.00 0.02 -0.01 -0.04 -0.01 -0.02 -0.00 0.00 -0.00 0.01 0.00 -0.00 -0.08 0.07 -0.00 0.02 -0.00 -0.00 0.04 -0.01 -0.00 -0.04 -0.06 -0.05 0.01 0.01 0.04 -0.00 -0.00 -0.01 0.03 -0.11 0.05 0.01 -0.09 0.04 0.11 0.03 0.08 0.18 -0.02 0.16 -0.14 0.04 0.01 0.02 -0.02 -0.00 0.01 -0.01 -0.01 -0.01 -0.01 -0.02 -0.02 -0.00 0.02 -0.02 -0.01 0.02 -0.01 -0.02 -0.00 0.37 -0.28 -0.09 0.39 -0.23 0.03 0.01 0.09 0.02 0.05 -0.11 0.03 0.19 0.28 0.01 0.02 0.28 0.25 0.26 0.17 0.19 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.01 0.00 -0.02 0.00 0.00 -0.00 0.00 0.00 0.01 -0.00 -0.01 0.00 -0.00 -0.00 0.00 0.05 -0.04 -0.05 0.03 0.06 -0.04 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.05 0.00 -0.09 -0.08 0.01 -0.06 0.01 0.09 -0.02 0.01 0.01 -0.02 -0.00 0.01 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.01 -0.35 0.14 0.15 -0.18 0.28 0.21 -0.15 0.06 0.39 -0.09 -0.25 0.29 -0.32 -0.20 0.13 -0.10 -0.36 0.09 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.01 0.01 0.00 -0.00 0.01 -0.00 0.01 0.01 0.01 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.01 -0.00 0.01 0.00 -0.00 0.01 -0.01 0.02 0.03 0.04 -0.01 -0.02 0.01 0.00 0.04 -0.03 -0.05 -0.04 -0.05 0.04 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.01 -0.00 0.00 0.00 -0.00 0.00 0.06 -0.03 -0.13 -0.10 0.10 -0.09 -0.20 -0.18 -0.13 -0.22 -0.07 0.20 0.00 -0.13 0.03 0.14 -0.07 -0.06 -0.03 0.01 0.00 -0.30 0.11 0.13 -0.11 0.21 0.17 -0.11 0.05 0.32 0.13 0.15 -0.27 0.26 0.11 -0.18 0.10 0.36 -0.08 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.02 0.00 -0.00 0.01 -0.00 0.02 -0.03 0.01 0.00 -0.01 0.01 -0.02 0.01 0.01 0.01 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.01 0.00 0.01 -0.00 0.00 -0.00 0.03 -0.05 0.02 0.00 -0.00 -0.01 0.01 -0.00 -0.02 -0.02 -0.01 0.01 0.02 0.01 0.00 -0.00 0.00 0.01 0.00 0.01 -0.01 0.00 0.00 -0.00 0.00 -0.00 -0.22 -0.01 0.40 0.26 -0.30 0.24 -0.13 -0.05 -0.11 -0.16 0.05 0.09 0.01 -0.07 0.02 0.05 -0.03 -0.05 -0.04 0.01 0.00 -0.22 0.16 0.06 0.25 -0.15 0.12 0.29 0.28 0.06 0.01 -0.14 0.10 -0.02 -0.11 -0.18 -0.10 0.06 -0.09 0.00 0.02 0.00 0.00 0.01 -0.02 -0.13 -0.02 0.00 -0.03 0.02 -0.13 0.07 0.02 0.00 0.02 -0.04 0.07 -0.04 -0.02 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.01 -0.01 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.01 -0.00 -0.00 -0.06 -0.00 -0.05 -0.00 0.00 0.00 0.01 -0.00 -0.00 -0.06 -0.00 0.11 0.07 -0.08 0.06 -0.02 -0.01 -0.02 -0.03 0.01 0.01 0.01 -0.01 0.01 -0.00 -0.00 -0.01 0.01 -0.00 -0.00 -0.03 0.04 -0.00 0.04 -0.04 0.00 0.05 0.05 0.01 0.01 -0.03 0.02 -0.01 -0.02 -0.02 -0.01 0.00 -0.01 0.02 -0.02 -0.01 -0.04 -0.00 0.02 0.66 0.06 -0.03 0.18 -0.09 0.64 -0.17 0.06 0.01 -0.04 -0.01 -0.14 0.01 0.03 0.10 -0.00 0.00 -0.00 0.00 0.01 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.01 -0.01 0.02 -0.01 -0.00 -0.02 0.03 0.01 0.00 -0.00 0.02 -0.02 0.01 -0.03 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.01 0.01 -0.00 -0.00 0.00 -0.05 0.02 0.11 0.05 -0.13 0.06 -0.13 -0.01 -0.13 -0.16 0.05 0.09 -0.01 -0.29 0.06 0.18 -0.12 -0.21 -0.01 0.00 0.00 0.12 0.14 -0.15 -0.11 -0.04 -0.23 -0.05 -0.01 0.07 0.21 0.01 -0.22 -0.21 0.04 0.38 0.38 -0.16 0.34 -0.00 -0.01 -0.00 0.00 -0.01 0.01 -0.02 0.00 0.00 -0.01 0.00 -0.02 0.00 -0.02 -0.00 -0.01 0.02 -0.01 0.02 0.01 -0.02 0.00 -0.00 0.00 -0.00 -0.01 0.01 -0.01 -0.01 0.00 0.00 -0.01 -0.00 -0.00 -0.00 -0.02 -0.00 0.02 -0.01 0.02 -0.05 -0.03 0.02 -0.01 -0.01 -0.02 -0.01 -0.01 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.01 -0.01 0.00 -0.00 -0.00 -0.09 -0.02 0.16 0.12 -0.09 0.10 0.02 -0.08 0.03 -0.00 -0.06 0.02 0.08 0.55 -0.08 -0.35 0.24 0.41 0.03 -0.01 0.01 -0.08 0.13 -0.02 -0.07 0.04 -0.04 -0.04 0.05 0.16 0.14 0.08 -0.21 -0.03 0.07 0.17 0.23 0.01 0.16 0.01 0.03 0.01 0.00 0.01 -0.03 -0.02 -0.00 0.00 -0.01 0.01 -0.02 -0.03 0.02 0.00 -0.00 -0.01 -0.02 -0.00 0.00 0.02 0.00 -0.00 0.00 0.00 -0.00 0.00 0.01 -0.00 -0.02 0.01 0.00 -0.00 0.00 0.02 -0.03 -0.02 0.00 -0.00 -0.01 0.01 0.00 0.02 0.02 -0.03 0.00 -0.04 -0.01 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.01 0.00 0.00 0.00 -0.00 0.00 -0.16 -0.02 0.26 0.18 -0.20 0.16 0.10 0.06 0.08 0.12 -0.06 -0.07 -0.02 -0.11 0.01 0.08 -0.05 -0.08 -0.04 0.01 0.00 -0.10 -0.29 0.23 -0.04 0.21 0.29 -0.14 -0.15 -0.07 -0.23 0.36 -0.06 0.18 0.29 0.26 -0.06 -0.17 0.03 -0.00 0.01 0.00 -0.00 0.01 -0.01 -0.01 0.00 0.00 -0.00 0.00 -0.01 -0.02 -0.01 -0.00 -0.01 0.02 -0.02 0.02 0.01 -0.01 -0.01 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.01 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.01 -0.01 0.01 0.02 -0.01 -0.01 0.00 -0.00 0.00 0.03 -0.00 -0.03 0.02 0.00 -0.04 -0.03 0.03 -0.02 0.01 0.01 0.01 0.02 -0.01 -0.01 -0.01 -0.03 0.00 0.03 -0.02 -0.02 -0.02 0.01 0.00 -0.00 0.00 -0.00 0.02 -0.02 -0.00 0.02 0.01 -0.01 -0.01 0.03 -0.01 -0.00 0.03 0.05 0.01 -0.03 0.02 0.15 0.13 0.02 0.06 0.06 -0.17 -0.11 -0.01 -0.01 0.00 0.06 -0.06 -0.28 0.46 0.04 0.04 -0.39 -0.10 -0.30 -0.04 0.57 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.01 -0.02 -0.00 -0.00 -0.00 0.00 -0.01 0.03 0.03 -0.00 0.01 0.00 -0.01 -0.00 -0.03 0.01 -0.00 0.01 -0.01 -0.02 0.00 -0.00 -0.00 -0.01 0.01 -0.01 0.00 0.00 -0.00 -0.01 0.01 -0.01 0.12 0.01 -0.21 -0.14 0.16 -0.13 -0.19 -0.00 -0.18 -0.19 0.03 0.13 0.00 0.09 -0.02 -0.04 0.03 0.07 -0.00 0.00 -0.00 -0.13 -0.06 0.12 0.30 -0.15 0.19 0.26 0.16 -0.15 -0.13 0.19 -0.02 0.00 0.16 0.28 0.01 -0.23 0.11 -0.01 -0.01 0.00 -0.02 0.00 0.01 0.08 -0.03 -0.02 0.02 -0.04 0.07 0.27 -0.01 -0.01 0.09 -0.12 0.26 -0.14 -0.08 -0.06 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.01 -0.02 0.00 0.01 0.00 -0.00 -0.00 -0.00 0.01 -0.06 0.01 -0.01 -0.01 0.01 0.01 -0.00 -0.03 -0.01 -0.00 -0.01 0.00 0.00 -0.01 0.00 -0.01 0.01 -0.00 -0.01 0.00 0.00 -0.01 0.01 -0.01 0.01 -0.02 -0.05 -0.02 0.06 -0.02 0.35 0.08 0.31 0.38 -0.13 -0.23 -0.05 -0.12 -0.00 0.10 -0.06 -0.08 -0.05 0.02 0.01 -0.16 0.36 -0.10 0.08 -0.15 -0.13 0.16 0.27 0.26 -0.01 0.15 -0.11 0.10 0.12 0.06 0.03 0.01 0.02 -0.00 0.01 0.00 -0.01 0.01 -0.01 0.04 -0.01 -0.01 0.01 -0.02 0.04 0.15 -0.02 -0.01 0.04 -0.05 0.14 -0.06 -0.04 -0.05 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.01 0.02 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.01 -0.01 -0.00 -0.00 0.00 0.00 0.00 0.02 0.01 -0.01 -0.02 0.01 0.01 0.00 -0.01 0.00 -0.02 0.02 -0.02 -0.00 -0.00 0.00 -0.02 0.02 -0.03 -0.04 0.00 0.08 0.06 -0.06 0.05 0.08 -0.00 0.07 0.08 -0.03 -0.05 0.00 -0.03 0.01 0.01 -0.01 -0.02 0.02 -0.00 -0.00 0.05 -0.19 0.07 -0.12 0.16 0.09 -0.16 -0.18 -0.07 0.21 -0.20 -0.07 -0.11 -0.16 -0.12 0.15 0.17 0.03 0.01 0.02 0.01 -0.02 0.02 -0.02 0.09 -0.05 -0.03 0.02 -0.06 0.09 0.42 0.05 -0.01 0.16 -0.27 0.44 -0.30 -0.15 -0.03 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.03 0.02 -0.01 0.01 0.00 -0.00 -0.00 -0.01 0.01 -0.01 -0.00 0.00 -0.00 0.00 0.00 -0.01 0.01 -0.03 -0.02 0.01 0.00 -0.00 -0.00 0.00 0.01 -0.01 0.01 -0.01 0.00 0.00 0.01 -0.01 0.01 0.04 0.00 -0.08 -0.04 0.08 -0.04 0.14 0.04 0.12 0.17 -0.08 -0.08 -0.04 -0.03 -0.02 0.05 -0.03 -0.01 -0.07 0.02 0.00 -0.16 -0.23 0.22 0.27 -0.03 0.36 0.20 0.06 -0.22 0.30 -0.19 -0.17 -0.20 -0.15 0.02 0.30 0.13 0.16 0.02 0.04 0.01 0.01 0.01 -0.04 -0.03 0.02 0.01 -0.01 0.02 -0.03 -0.18 -0.04 0.00 -0.07 0.13 -0.19 0.14 0.07 -0.01 0.01 0.00 -0.01 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.02 0.00 0.00 -0.00 -0.00 -0.00 -0.01 0.00 -0.00 0.01 0.01 0.00 0.00 -0.00 -0.01 -0.00 -0.00 0.00 0.03 0.06 -0.03 0.01 -0.00 0.00 0.00 -0.01 -0.00 0.01 -0.01 -0.01 -0.00 0.00 0.01 0.01 -0.00 0.00 0.03 0.00 0.03 0.03 -0.01 -0.02 0.02 -0.02 0.01 -0.05 0.02 -0.03 0.14 -0.04 -0.01 -0.04 -0.01 0.03 0.03 0.00 0.04 0.02 0.02 -0.01 0.03 -0.00 -0.03 -0.01 -0.00 0.00 0.03 0.02 0.02 -0.42 -0.52 -0.10 -0.14 -0.22 0.60 -0.04 -0.04 -0.01 -0.00 0.04 -0.03 -0.07 0.15 0.01 0.01 -0.10 -0.02 -0.07 -0.01 0.17 -0.01 0.00 0.00 -0.01 0.01 -0.00 -0.00 0.00 -0.00 -0.17 0.01 0.03 0.00 -0.00 -0.01 -0.01 0.00 -0.00 0.06 0.03 0.00 0.00 -0.01 -0.01 -0.00 -0.01 0.00 -0.03 0.00 0.01 0.01 -0.00 0.00 0.12 -0.05 -0.02 -0.00 -0.00 0.00 -0.00 0.01 0.02 0.01 -0.00 -0.00 0.02 -0.01 0.03 0.03 -0.01 -0.03 0.12 -0.13 0.08 -0.22 0.08 -0.16 0.82 -0.22 -0.07 -0.09 0.01 0.05 0.05 0.00 0.08 0.05 0.05 0.02 0.01 0.03 -0.04 0.02 0.02 0.01 0.02 0.02 0.01 0.17 0.07 0.01 0.11 0.01 -0.14 -0.01 0.02 0.00 0.00 -0.03 -0.01 0.00 -0.02 -0.00 -0.01 0.04 -0.00 0.03 0.01 -0.02 -0.01 -0.04 0.03 -0.12 -0.32 0.23 0.00 0.00 0.00 -0.08 -0.07 0.05 0.01 -0.01 0.00 -0.00 0.00 0.00 -0.01 0.03 -0.01 0.00 0.00 0.00 -0.00 -0.00 0.00 0.02 0.01 -0.02 -0.01 -0.01 0.01 0.28 0.54 -0.41 0.00 0.00 0.00 0.03 0.04 0.04 0.02 0.02 -0.01 -0.00 -0.01 0.01 0.00 0.00 -0.01 0.09 -0.17 0.11 0.14 -0.03 -0.07 -0.33 0.05 0.19 0.02 0.01 -0.02 -0.01 -0.01 -0.03 -0.01 -0.01 0.00 0.00 0.00 -0.01 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.11 0.05 -0.03 -0.08 0.06 0.04 0.02 -0.03 0.00 -0.02 0.06 -0.01 -0.00 0.00 0.00 0.00 -0.01 -0.00 -0.01 -0.01 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.05 -0.03 -0.05 0.00 0.00 0.00 0.00 0.00 0.01 0.01 0.01 0.01 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.04 0.03 -0.01 0.02 -0.01 -0.02 0.06 -0.04 -0.10 0.51 0.35 0.74 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.06 -0.03 -0.06 0.01 0.01 -0.01 0.01 -0.01 0.01 -0.12 -0.08 -0.13 0.02 -0.02 0.02 -0.02 0.02 0.03 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.01 -0.00 -0.01 0.00 0.00 0.00 0.02 0.02 0.03 -0.04 -0.03 -0.03 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.01 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.06 0.04 0.10 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.27 -0.20 -0.36 0.05 0.06 -0.02 0.06 -0.06 0.04 0.51 0.38 0.53 -0.09 0.08 -0.06 0.05 -0.05 -0.11 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.01 -0.00 -0.01 0.00 -0.00 0.00 -0.02 -0.03 -0.05 -0.02 -0.02 -0.02 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.01 0.01 -0.00 0.01 -0.00 -0.01 0.00 -0.00 -0.01 0.10 0.05 0.14 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.01 0.01 0.44 0.34 0.62 -0.08 -0.09 0.03 -0.08 0.08 -0.06 0.30 0.22 0.30 -0.04 0.04 -0.03 0.03 -0.03 -0.06 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.01 0.01 0.00 -0.05 0.00 -0.02 0.00 0.00 -0.00 -0.00 -0.02 -0.02 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.01 -0.01 0.07 -0.10 -0.15 -0.09 -0.01 -0.08 0.49 0.64 0.05 -0.21 -0.00 -0.05 0.32 0.17 0.01 -0.06 -0.16 0.27 -0.07 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.01 0.00 0.02 -0.00 0.02 -0.00 -0.00 0.00 -0.01 -0.02 -0.04 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.01 0.00 0.01 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.01 -0.06 0.06 0.10 0.06 0.00 0.05 -0.34 -0.29 -0.03 0.10 -0.01 -0.09 0.65 0.38 0.03 -0.13 -0.20 0.35 -0.09 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.02 0.02 -0.00 0.00 -0.00 -0.00 0.04 -0.03 -0.05 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.20 -0.18 0.09 0.06 -0.01 -0.08 -0.03 0.01 0.03 0.01 0.00 0.01 -0.54 0.12 0.72 0.09 0.24 -0.10 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.01 0.00 -0.00 0.02 -0.01 -0.02 -0.01 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.01 -0.01 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.02 0.03 -0.06 -0.01 0.00 0.01 -0.01 0.00 0.01 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.54 -0.47 0.23 -0.36 0.10 0.44 0.16 -0.05 -0.18 0.01 0.02 0.02 0.10 -0.02 -0.13 0.00 0.02 -0.01 -0.00 -0.00 0.00 0.01 0.01 0.02 0.03 0.03 -0.02 0.01 -0.02 0.01 0.01 0.01 0.01 0.01 -0.01 0.00 -0.01 0.01 0.01 -0.00 0.00 -0.02 0.01 0.02 0.01 0.00 -0.00 0.01 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.02 0.02 -0.00 0.04 -0.02 -0.06 -0.01 0.00 0.01 0.00 -0.00 0.00 -0.00 0.00 0.01 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.23 -0.20 0.10 0.04 -0.01 -0.06 -0.58 0.20 0.68 0.07 0.04 0.07 0.09 -0.02 -0.12 -0.01 -0.02 0.01 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.01 -0.01 0.00 -0.02 0.02 -0.01 -0.02 -0.01 -0.02 -0.01 0.01 -0.00 0.04 -0.03 -0.05 -0.00 0.00 -0.01 0.01 0.01 0.01 0.00 -0.00 0.01 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.02 0.05 -0.04 -0.00 -0.01 0.03 -0.00 0.00 -0.00 0.00 0.00 -0.01 0.01 -0.01 0.01 -0.01 0.00 0.02 -0.01 0.00 0.01 0.00 0.00 0.00 0.02 -0.00 -0.03 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.04 -0.12 0.71 -0.27 -0.43 -0.27 -0.00 0.05 -0.37 0.03 0.01 -0.01 -0.00 -0.00 0.05 -0.03 -0.00 0.01 0.02 -0.03 0.01 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.01 -0.00 0.00 -0.01 0.01 -0.07 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.02 -0.02 0.01 0.03 -0.01 -0.04 -0.03 0.01 0.04 -0.00 -0.00 -0.00 0.00 -0.00 -0.01 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.02 -0.01 -0.02 -0.02 -0.03 0.01 -0.04 0.05 -0.03 0.11 0.09 0.11 0.44 -0.46 0.24 -0.38 0.27 0.51 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.01 0.01 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.01 -0.03 -0.01 -0.05 -0.01 0.06 0.00 -0.00 0.00 0.01 0.01 -0.02 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.01 0.01 -0.00 0.01 -0.00 -0.01 -0.01 0.01 -0.08 0.17 0.29 0.17 -0.01 0.09 -0.59 0.59 0.04 -0.18 0.00 -0.02 0.14 -0.24 -0.02 0.07 0.08 -0.13 0.03 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.05 -0.03 -0.03 0.01 -0.01 -0.02 0.01 -0.01 -0.01 -0.04 0.00 -0.01 -0.00 0.00 -0.01 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.28 0.25 -0.14 -0.37 0.10 0.48 -0.15 0.05 0.18 0.01 0.01 0.01 -0.09 0.02 0.13 0.03 0.09 -0.03 -0.00 -0.00 0.00 0.05 0.05 0.08 0.20 0.26 -0.14 0.27 -0.33 0.19 0.00 0.00 0.00 0.04 -0.05 0.03 -0.03 0.02 0.04 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.01 0.01 0.00 -0.00 -0.00 0.00 -0.01 0.01 0.00 -0.00 0.00 -0.01 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.04 -0.02 -0.02 0.01 -0.00 -0.01 0.00 -0.01 -0.01 0.06 -0.02 0.02 -0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.18 0.16 -0.09 -0.30 0.08 0.38 -0.07 0.02 0.09 0.01 0.01 0.01 -0.06 0.01 0.09 0.03 0.07 -0.03 0.00 -0.00 -0.00 -0.07 -0.06 -0.10 -0.19 -0.26 0.14 -0.41 0.50 -0.29 -0.00 0.00 0.00 0.02 -0.01 0.01 0.04 -0.03 -0.06 -0.00 0.00 -0.02 -0.01 -0.01 -0.01 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.01 -0.03 -0.00 0.01 -0.01 0.02 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.03 -0.03 -0.07 -0.00 0.00 -0.01 0.00 0.00 0.00 0.00 -0.03 0.04 -0.00 0.00 -0.00 -0.01 0.00 0.01 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.01 -0.01 0.01 -0.01 0.01 -0.01 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.03 -0.11 0.56 0.28 0.47 0.26 0.00 -0.02 0.08 0.01 0.00 -0.01 0.00 0.04 -0.34 0.15 0.01 -0.04 -0.19 0.32 -0.07 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.01 0.01 0.04 -0.01 -0.01 0.03 -0.00 -0.00 0.00 0.02 -0.05 0.05 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.01 -0.01 0.01 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.02 0.07 -0.35 -0.14 -0.24 -0.13 -0.01 0.05 -0.33 0.11 0.01 -0.03 0.01 0.06 -0.51 0.09 -0.00 -0.01 -0.30 0.52 -0.12 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.07 -0.06 -0.02 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.01 0.01 -0.01 -0.03 0.01 0.03 -0.03 0.01 0.04 0.00 0.00 0.00 -0.00 0.00 0.00 0.01 0.02 -0.01 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.04 -0.05 0.03 -0.01 0.02 -0.01 0.02 -0.02 -0.01 -0.46 0.47 -0.27 -0.36 0.27 0.52 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.01 -0.02 -0.00 0.01 -0.01 0.01 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.01 -0.00 0.01 0.00 -0.00 0.00 -0.08 0.02 0.03 -0.00 0.00 -0.00 -0.00 0.00 0.01 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.01 -0.02 -0.02 0.01 -0.01 0.02 -0.01 0.00 -0.00 -0.00 -0.01 0.01 -0.01 -0.01 0.01 0.01 -0.00 0.01 -0.05 -0.01 -0.01 -0.01 -0.00 0.02 -0.11 0.17 0.02 -0.05 -0.02 0.03 -0.21 0.80 0.09 -0.26 0.20 -0.37 0.10 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.01 -0.00 0.00 0.00 -0.04 -0.07 0.04 0.00 0.01 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.02 0.02 -0.01 0.05 -0.02 -0.07 0.01 -0.00 -0.01 -0.00 -0.00 -0.00 0.15 -0.04 -0.21 0.30 0.85 -0.29 -0.01 -0.02 0.01 -0.00 -0.00 -0.00 -0.04 -0.05 0.02 0.03 -0.03 0.02 -0.00 -0.00 -0.00 0.01 -0.01 0.01 0.01 -0.00 -0.01 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.01 0.00 0.01 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.02 -0.08 0.04 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.01 -0.01 0.01 0.06 -0.02 -0.08 0.01 -0.00 -0.01 -0.00 -0.00 -0.01 0.02 -0.01 -0.03 0.02 0.06 -0.02 -0.00 0.00 0.00 0.02 -0.00 0.03 0.49 0.62 -0.31 -0.30 0.34 -0.20 0.00 -0.00 -0.00 -0.03 0.03 -0.02 -0.02 0.01 0.02 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.01 0.01 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.01 -0.07 0.02 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.02 -0.01 0.18 0.93 -0.32 0.00 0.00 0.01 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 8 8 7 7 6 6 6 6 6 6 6 6 6 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 298.150 1.00000 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 8 8 7 7 6 6 6 6 6 6 6 6 6 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 15.99491 15.99491 14.00307 14.00307 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 188.15248 1791.83366 3854.26583 5139.51932 0.99985 -0.01742 -0.00208 0.01742 0.99985 0.00231 0.00203 -0.00234 1.0 asymmetric 1 0.04834 0.02247 0.01685 1.00720 0.46825 0.35115 775415.3 34.24 51.41 72.73 98.10 115.08 150.46 206.43 225.77 253.25 328.64 353.22 372.53 413.93 424.78 448.47 522.96 583.06 590.81 636.25 664.37 739.46 780.80 950.87 1079.35 1115.60 1122.75 1142.12 1250.19 1270.42 1292.33 1330.35 1345.69 1381.32 1441.84 1484.30 1522.29 1547.67 1558.25 1600.23 1614.17 1617.24 1662.82 1688.74 1705.34 1726.83 1807.00 1835.56 1839.61 1848.50 1871.65 1884.69 1924.54 1981.11 1987.22 2013.98 2029.11 2035.77 2045.79 2079.33 2118.30 2130.20 2134.10 2142.31 2145.94 2152.36 2153.75 2165.15 2167.81 2173.10 2178.95 2183.35 2241.79 2547.31 4171.69 4196.44 4212.11 4347.81 4348.79 4355.26 4357.07 4363.40 4367.15 4395.28 4396.05 4415.73 4421.07 4429.75 4441.31 4455.74 4464.17 4474.17 4482.90 5090.42 0.295340 0.310858 0.311802 0.251019 -614.891491 -614.875973 -614.875029 -614.935812 195.066 56.037 127.929 0.000 0.000 0.000 0.889 2.981 41.602 0.889 2.981 31.940 193.289 50.076 54.387 1 0.593 1.985 6.289 2 0.594 1.982 5.483 3 0.595 1.977 4.796 4 0.598 1.969 4.205 5 0.600 1.963 3.891 6 0.605 1.946 3.367 7 0.616 1.910 2.757 8 0.621 1.895 2.587 9 0.628 1.872 2.370 10 0.651 1.798 1.891 11 0.660 1.770 1.763 12 0.668 1.748 1.669 13 0.685 1.697 1.487 14 0.689 1.683 1.444 15 0.700 1.651 1.353 16 0.737 1.547 1.107 17 0.770 1.459 0.944 18 0.775 1.447 0.924 19 0.802 1.378 0.820 20 0.819 1.335 0.761 21 0.869 1.219 0.624 22 0.898 1.156 0.560 0.243346e+21 20.386224 46.941015 0.112481e+07 6.051078 13.933123 0.100000e+01 0.000000 0.000000 0.101442e+09 8.006219 18.435000 0.213268e+07 6.328927 14.572892 gas ./ancestor::cml:module[@dictRef='cc:finalization']/cml:molecule[@id='mol9999'] 1.7777 2.7582 -0.1924 3.2870 -72.9789 -88.7951 -84.1156 -4.9557 -0.2765 1.5406 8.9843 -6.8319 -2.1525 -4.9557 -0.2765 1.5406 -21.4719 13.1029 -2.0547 15.2264 -3.5911 -5.6205 0.0236 -0.0307 -10.6075 -4.9948 -2833.1193 -1346.6172 -317.6006 -0.8422 -17.2787 -32.4361 3.3238 -7.6629 -6.5802 -707.7801 -537.9915 -275.7178 -0.9011 11.1177 3.8421 (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A) (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A) 0 1-A -615.1868314 1.369E-9 2.713E-6 0.2953401 0.310858 -614.8759734 -614.8750292 -614.9358123 6.4902031,-5.0441454,-1.4460576,3.9062068,0.5822551,0.99615 C01 [X(C9H20N2O2)] 0.7232712 -1.0718747 0.0190068 -1.622912 -0.5467339 -0.1091212 -0.7723962 -0.9294185 0.0484103 -0.1138268 0.0886327 -0.3380907 -0.855554 0.128224 -0.1339319 0.1596736 -1.0585374 0.2950466 -0.23135 0.3843926 -0.5421656 -0.7160679 0.0919532 0.0639997 0.1274278 -0.7065231 -0.0175405 0.1004236 -0.0555917 -0.59508 -1.4374582 0.0806117 -0.1169416 0.0047127 -0.4904255 -0.0195305 -0.4186613 0.036082 -0.6160704 0.0405625 0.0042351 0.0023667 -0.0332863 0.041027 -0.0233504 0.0537328 0.0068287 0.0241593 0.3799258 0.1219186 -0.1619994 0.105082 0.4355745 -0.007361 -0.1834007 0.0092772 0.2874475 0.5813773 0.1173224 -0.0509102 0.364755 0.2316769 0.0627131 -0.0748766 0.0587881 0.2984461 0.3126316 0.01227 -0.0052406 0.0221537 0.1554269 0.1879831 -0.0170755 0.2101161 0.4104774 0.3701933 -0.2550779 -0.0231934 -0.2531107 0.3936259 -0.0537643 -0.0063641 -0.0764311 0.3166894 0.9884384 0.218793 0.0982261 0.0610709 0.3238311 0.0263223 0.2453313 0.0913631 0.3306863 0.0999088 -0.0488688 0.0123877 -0.0499084 0.068661 0.0046427 0.0004188 0.012989 0.1495681 2.3798888 0.1794295 0.4099126 0.3867451 1.5812749 -0.4034236 0.5553211 -0.5714299 0.6435498 0.0637982 0.0398077 0.008881 0.0148833 0.0285369 -0.0312491 0.0506268 -0.016921 0.0916454 -0.1053354 -0.0940342 0.0636399 -0.0715346 -0.0782539 0.0435278 0.0696173 0.0203942 0.0537445 -0.0199216 0.0291628 -0.0911608 0.0124615 0.033408 -0.0493392 -0.06562 -0.0381624 -0.0638647 -0.0378511 -0.0377385 -0.069589 -0.0352715 0.010891 -0.0225124 -0.1291603 -0.0166686 -0.0811924 -0.098797 -0.0095317 0.103819 0.1155937 -0.0754915 -0.0998144 0.1877592 -0.0016588 -0.122843 -0.1140662 -0.0611538 -0.0827035 -0.0321984 0.0734907 0.0072066 -0.0820191 -0.0495973 -0.0925356 0.0475811 0.0823702 0.0115879 0.004724 -0.0493653 -0.0001549 0.0468858 0.0302855 0.0580347 0.2613682 -0.1534225 -0.079798 -0.2136272 0.2811614 0.0694026 -0.0175418 0.0383315 0.2982288 -0.0915368 0.091436 0.1651694 0.0034251 0.000084 -0.0939665 0.0211018 -0.1079248 -0.1442453 0.0019454 0.0756722 -0.0468233 0.1120855 -0.0290714 0.0495099 -0.0767688 0.033749 0.0136829 0.0144076 -0.0932089 0.0217387 -0.1317786 -0.0467699 0.0080509 0.0551299 0.061358 0.0122339 -0.1170793 0.1574385 0.0353487 0.0994849 -0.062972 0.0217886 0.1722317 -0.12147 -0.0880675 -0.0288543 -0.1123026 0.0578898 -0.0365051 -0.0767078 0.0680393 0.0272993 0.0472389 0.0501172 -0.0100775 0.0145058 -0.0953696 -0.0476526 0.0231697 -0.0854436 -0.0951652 -0.030822 -0.0653617 -0.0349907 -0.0460994 0.0355501 0.0156602 0.0492296 0.0233147 -0.0462266 0.0181189 -0.1121979 -0.0915911 -0.0027643 0.0087335 0.0931564 -0.0739374 -0.0653816 0.0272336 -0.0989789 0.0036394 0.0669734 0.020301 -0.0008115 -0.0143118 -0.004884 0.0139428 0.0491316 0.0289173 -0.1535143 -0.1717101 0.0215236 -0.0365076 0.0200959 0.0070011 -0.005761 -0.0776872 -0.0088823 0.0427296 0.0623361 0.0196513 0.0149379 0.0199151 0.0327587 0.0649703 0.0215253 0.002823 -0.1537963 -0.1187186 0.0566353 -0.0305009 0.0414849 0.061265 -0.0124426 -0.0747604 -0.0031577 0.022468 0.0011854 -0.1023252 0.0204138 -0.09301 -0.1497367 -0.0038363 0.0267343 0.0180107 0.0614771 152.8248596|1.9073102|136.9361487|2.5574548|-0.5565625|112.9718479 -0.000001440 0.000005480 -0.000006907 -0.000001369 0.000002575 -0.000001278 -0.000001373 -0.000000246 -0.000000792 -0.000001766 -0.000000167 0.000008383 -0.000001358 0.000003118 -0.000003243 0.000003390 -0.000002279 0.000002723 0.000005704 0.000007984 0.000002214 -0.000000073 0.000001610 0.000001796 -0.000000344 0.000001231 0.000002662 0.000007942 0.000003004 0.000002005 -0.000007137 -0.000002216 0.000004170 -0.000002702 -0.000008903 0.000004174 0.000003438 -0.000005937 -0.000001555 0.000000706 -0.000001326 0.000002622 -0.000000524 -0.000000561 0.000002048 -0.000001024 -0.000000546 0.000000127 -0.000001123 0.000001801 -0.000000129 -0.000001671 -0.000001835 -0.000000451 -0.000001013 -0.000002179 -0.000000890 -0.000000754 -0.000003080 -0.000002975 0.000000549 0.000000432 -0.000000791 0.000000633 0.000000800 -0.000000290 0.000001460 0.000000348 -0.000001068 0.000000320 -0.000000677 -0.000000306 0.000000071 -0.000000283 -0.000001225 -0.000000052 -0.000000457 -0.000001055 -0.000001778 -0.000001017 -0.000000908 -0.000000006 -0.000000588 -0.000000385 0.000001034 0.000000028 -0.000002299 0.000001592 -0.000000411 -0.000002280 0.000000957 0.000001476 -0.000000843 -0.000001707 0.000001088 -0.000001007 -0.000000583 0.000001735 -0.000002247 168.10849999999994 AuxInfo=1/0/N:5;6;7;8;9;10;11;12;13;3;4;1;2;14;15;16;17;18;19;20;21;22;23;24;25;26;27;28;29;30;31;32;33/rA:33nO0O0N0N0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:-1.6876,.2348,.5057;-1.2051,2.2887,-.3471;2.1397,-1.0787,.1579;.3323,1.0996,.8826;2.3116,1.3215,-.6255;3.0288,.0143,-.2667;1.4857,1.9162,.5243;1.3042,-1.5719,-.936;2.903,-2.1678,.7604;-3.0194,.3256,-.0424;-3.6832,-1.0277,.1477;-.873,1.3046,.285;-2.9805,-2.155,-.6145;3.0794,2.0472,-.9167;1.667,1.193,-1.5002;3.712,.2154,.5656;3.6558,-.3063,-1.1205;2.1142,2.0298,1.414;1.1152,2.9042,.2504;.5526,.1422,1.1339;1.9032,-1.9606,-1.7791;.6553,-.7796,-1.3101;.662,-2.3759,-.5706;3.6175,-2.628,.0535;2.2217,-2.947,1.1101;3.465,-1.7972,1.6209;-2.9535,.5972,-1.0999;-3.5633,1.1208,.4749;-3.7165,-1.2594,1.2174;-4.7223,-.9361,-.188;-2.9627,-1.949,-1.6896;-1.9474,-2.2622,-.2771;-3.4893,-3.1107,-.4644; Gaussian 16 16-Dec-2022 Gaussian 16 3-Jul-2019 EM64L-G16RevC.01 93 C1[X(C9H20N2O2)] RB3LYP 6-311+G(d,p) SP #P B3LYP 6-311+G(d,p) EmpiricalDispersion=gd3 geom=check guess=read output=wfx 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 0 168.10849999999994 AuxInfo=1/0/N:5;6;7;8;9;10;11;12;13;3;4;1;2;14;15;16;17;18;19;20;21;22;23;24;25;26;27;28;29;30;31;32;33/rA:33nO0O0N0N0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:-1.6876,.2348,.5057;-1.2051,2.2887,-.3471;2.1397,-1.0787,.158;.3323,1.0996,.8826;2.3116,1.3215,-.6255;3.0288,.0143,-.2667;1.4857,1.9162,.5243;1.3042,-1.5719,-.936;2.903,-2.1678,.7604;-3.0194,.3256,-.0424;-3.6832,-1.0277,.1477;-.873,1.3046,.285;-2.9805,-2.155,-.6145;3.0794,2.0472,-.9167;1.667,1.193,-1.5002;3.712,.2154,.5656;3.6558,-.3063,-1.1205;2.1142,2.0298,1.414;1.1152,2.9042,.2504;.5526,.1422,1.1339;1.9032,-1.9606,-1.7791;.6553,-.7796,-1.3101;.662,-2.3759,-.5706;3.6175,-2.628,.0535;2.2217,-2.947,1.1101;3.465,-1.7972,1.6209;-2.9535,.5972,-1.0999;-3.5633,1.1208,.4749;-3.7165,-1.2594,1.2174;-4.7223,-.9361,-.188;-2.9627,-1.949,-1.6896;-1.9474,-2.2622,-.2771;-3.4893,-3.1107,-.4644; oldchk=/home/apulgar/almacen/pesticidas/F2-F4/propamocarb/gaussian/gas/CONF32/o #P B3LYP 6-311+G(d,p) EmpiricalDispersion=gd3 geom=check guess=read ou 1/29=2,38=1,172=1/1 2/12=2,40=1/2 3/5=4,6=6,7=111,11=2,14=-4,25=1,30=1,74=-5,116=-2,124=31/1,2,3 4/5=1/1 5/5=2,38=6/2 6/7=2,8=2,9=2,10=2,28=1/1 99/5=1,6=200,9=1/99 Wavefunction propamocarb CONF32 gas Redundant internal coordinates found in file. (old form). 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 16 16 14 14 12 12 12 12 12 12 12 12 12 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 15.9949146 15.9949146 14.0030740 14.0030740 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 0 0 2 2 0 0 0 0 0 0 0 0 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5.6000000 5.6000000 4.5500000 4.5500000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 (Enter /usr/local/gaussian/gaussian16/g16/l101.exe) 6-311+G(d,p) (5D, 7F) 0.10000e-02 0.10000e-05 F 419 A 406 A 406 628 419 52 52 882.3928837357 33 33 33 1.00e+00 60 F IExCor= 402 DFT=T Ex+Corr=B3LYP ExCW=0 ScaHFX= 0.200000 ScaDFX= 0.800000 0.720000 1.000000 0.810000 ScalE2= 1.000000 1.000000 IRadAn= 5 IRanWt= -1 IRanGd= 0 ICorTp=0 IEmpDi=131 Grimme-D3 -0.0312564742 0.000000 2.275639 0.000000 4.061285 4.773060 0.000000 2.229345 2.299960 2.921797 0.000000 4.295825 3.657940 2.530660 2.498289 0.000000 4.784272 4.806833 1.471498 3.125711 1.533621 0.000000 3.591291 2.852897 3.087204 1.457926 1.535491 2.573682 0.000000 3.780642 4.641922 1.462186 3.374758 3.079402 2.436764 3.785710 0.000000 5.187592 6.161506 1.460085 4.159332 3.800775 2.414982 4.329360 2.406048 0.000000 1.443054 2.690351 5.350570 3.562118 5.454509 6.060364 4.811167 4.805511 6.475894 0.000000 2.388463 4.169466 5.823144 4.603302 6.484974 6.805036 5.960427 5.132742 6.712225 1.519352 0.000000 1.362683 1.215814 3.843500 1.360847 3.312234 4.146466 2.448427 3.808572 5.151926 2.381765 3.654644 0.000000 2.938932 4.792660 5.288826 4.879407 6.331889 6.398310 6.149672 4.336194 6.042069 2.546026 1.531410 4.149665 0.000000 5.294570 4.329016 3.436434 3.417941 1.095887 2.134933 2.152569 4.031024 4.539838 6.397201 7.504780 4.197261 7.380564 0.000000 4.024254 3.283150 2.851901 2.732723 1.094099 2.182986 2.157352 2.845047 4.234740 4.983948 6.022602 3.106526 5.795932 1.750724 0.000000 5.399975 5.413864 2.076806 3.507843 2.145512 1.095417 2.801870 3.353601 2.524359 6.759741 7.510655 4.720952 7.197336 2.439811 3.066770 0.000000 5.611511 5.564259 2.128296 4.127349 2.168324 1.106760 3.514804 2.676864 2.751291 6.791200 7.482659 5.008038 6.907586 2.431595 2.519434 1.765838 0.000000 4.301251 3.766531 3.352720 2.079124 2.168006 2.779110 1.095204 4.376109 4.320803 5.601726 6.675512 3.274733 6.898060 2.522744 3.064718 2.562157 3.775904 0.000000 3.878966 2.473808 4.113575 2.066165 2.168795 3.504444 1.090224 4.634475 5.402042 4.881543 6.204464 2.551958 6.566429 2.440292 2.509408 3.751332 4.317594 1.765418 0.000000 2.328494 3.144928 2.227515 1.014071 2.753232 2.847692 2.095023 2.790625 3.316663 3.765231 4.503798 2.025916 4.562602 3.770767 3.047006 3.210932 3.861768 2.465718 2.953899 0.000000 4.788912 5.456094 2.141500 4.349466 3.502847 2.730301 4.528724 1.104866 2.737075 5.698713 5.982536 4.757050 5.024437 4.264949 3.174746 3.674869 2.498446 5.115055 5.329771 3.838200 0.000000 3.132944 3.715278 2.109048 2.905901 2.761668 2.711532 3.364821 1.090253 3.356528 4.041347 4.583626 3.037146 3.949038 3.744604 2.225065 3.721817 3.043518 4.176374 4.027085 2.614155 1.780974 0.000000 3.673502 5.029391 2.096950 3.781551 4.049105 3.377425 4.505471 1.092038 2.614753 4.596771 4.605909 4.078571 3.649489 5.052502 3.822491 4.160370 3.680855 5.045563 5.362758 3.042765 1.781464 1.759302 0.000000 6.045176 6.898732 2.143682 5.037428 4.214870 2.725933 5.041391 2.728716 1.105424 7.265136 7.474662 5.973608 6.648620 4.805035 4.562742 2.890746 2.601927 5.079958 6.075034 4.270259 2.596673 3.748411 3.031184 0.000000 5.076619 6.424934 2.098587 4.471845 4.608779 3.363938 4.953332 2.630492 1.092534 6.285566 6.283195 5.323056 5.537599 5.457647 4.925558 3.538181 3.742398 4.987244 6.016695 3.511417 3.069522 3.606767 2.362957 1.779439 0.000000 5.649919 6.509802 2.100700 4.330170 4.012837 2.652279 4.348417 3.355240 1.092599 7.022853 7.338907 5.497634 6.831527 4.622484 4.681361 2.285905 3.126416 4.063597 5.431653 3.532730 3.745165 4.185783 3.604781 1.780595 1.768863 0.000000 2.076477 2.546449 5.507399 3.870303 5.335825 6.068101 4.907588 4.781218 6.738333 1.093815 2.174730 2.597466 2.794828 6.207432 4.675896 6.881047 6.670822 5.835546 4.868205 4.182108 5.530956 3.868274 4.710812 7.410184 6.650489 7.371098 0.000000 2.074716 2.756959 6.120674 3.916970 5.980497 6.725364 5.111588 5.738835 7.260199 1.093483 2.176626 2.703321 3.501003 6.849917 5.591276 7.332046 7.529817 5.826050 5.011926 4.281732 6.667738 4.959342 5.583332 8.111469 7.100553 7.695797 1.768052 0.000000 2.618283 4.619866 5.953953 4.697813 6.811385 7.023033 6.134112 5.471941 6.697155 2.141306 1.095040 3.940688 2.167807 7.853155 6.510048 7.601475 7.792596 6.697312 6.450974 4.494080 6.407135 5.072574 4.859473 7.550841 6.174300 7.212861 3.065769 2.497979 0.000000 3.325931 4.774417 6.872212 5.553348 7.400302 7.809552 6.868977 6.105986 7.782207 2.124401 1.095816 4.479073 2.168273 8.384418 6.861343 8.545892 8.453368 7.622413 7.001169 5.543975 6.890487 5.495697 5.586635 8.513167 7.345003 8.428878 2.512240 2.452234 1.758257 0.000000 3.348748 4.780099 5.495940 5.173751 6.296582 6.463515 6.295199 4.349348 6.360587 2.809025 2.177934 4.341909 1.094850 7.285214 5.598405 7.370391 6.843034 7.158089 6.629202 4.970242 4.866730 3.821188 3.817453 6.840955 5.976014 7.231734 2.613665 3.803891 3.081307 2.525291 0.000000 2.629620 4.611516 4.277139 4.224159 5.577011 5.472138 5.466883 3.388749 4.960999 2.810896 2.171951 3.767274 1.092133 6.651952 5.147595 6.235167 5.994367 6.146295 6.028990 3.744608 4.144142 3.168454 2.628285 5.586684 4.446869 5.754324 3.140952 3.823774 2.523630 3.076824 1.767560 0.000000 3.921648 5.863825 6.016759 5.843434 7.302092 7.231131 7.141249 5.056477 6.576490 3.493908 2.179666 5.186695 1.093053 8.363982 6.795706 7.998902 7.703710 7.832736 7.608600 5.428915 5.668306 4.829768 4.217112 7.141937 5.926299 7.378032 3.799983 4.335135 2.511463 2.515133 1.768625 1.769891 0.000000 C9H20N2O2 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 0 168.10849999999994 AuxInfo=1/0/N:5;6;7;8;9;10;11;12;13;3;4;1;2;14;15;16;17;18;19;20;21;22;23;24;25;26;27;28;29;30;31;32;33/rA:33nO0O0N0N0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:-1.691,-.3448,-.5095;-1.1798,-2.3272,.4841;2.0983,1.0783,-.1784;.3547,-1.1844,-.7923;2.3083,-1.2613,.7629;3.0031,.0365,.3327;1.5188,-1.9485,-.3605;1.2306,1.6215,.8656;2.8489,2.1438,-.8366;-3.0311,-.4313,.0189;-3.721,.8909,-.2711;-.8572,-1.3786,-.2047;-3.0589,2.0814,.4285;3.0863,-1.9483,1.1148;1.6439,-1.0917,1.6154;3.7069,-.2021,-.472;3.6058,.4264,1.1751;2.1671,-2.1047,-1.2293;1.1651,-2.9252,-.0295;.5585,-.2404,-1.1015;1.804,2.0781,1.6923;.5923,.8401,1.2787;.578,2.3849,.4368;3.5388,2.6656,-.1483;2.1574,2.8825,-1.2488;3.4359,1.7315,-1.6608;-2.98,-.6322,1.0929;-3.5468,-1.2709,-.4552;-3.7383,1.0519,-1.3541;-4.7643,.7967,.0508;-3.0577,1.946,1.515;-2.0219,2.1908,.1038;-3.5858,3.0131,.2072; 1.0072035 0.4682451 0.3511498 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. One-electron integral symmetry used in STVInt NBasis= 406 RedAO= T EigKep= 2.02D-05 NBF= 406 NBsUse= 406 1.00D-06 EigRej= -1.00D+00 NBFU= 406 Precomputing XC quadrature grid using IXCGrd= 4 IRadAn= 5 IRanWt= -1 IRanGd= 0 AccXCQ= 0.00D+00. Generated NRdTot= 0 NPtTot= 0 NUsed= 0 NTot= 32 NSgBfM= 419 419 419 419 419 MxSgAt= 33 MxSgA2= 33. 1 Closed 1 1 1 -615.186831436447 -615.186831436 1 6.125168062309e+02 -3.198637105163e+03 1.088571840234e+03 Using DIIS extrapolation, IDIIS= 1040. NGot= 11324620800 LenX= 11324261300 LenY= 11324085298 Requested convergence on RMS density matrix=1.00D-08 within 128 cycles. Requested convergence on MAX density matrix=1.00D-06. Requested convergence on energy=1.00D-06. No special actions if energy rises. Fock matrices will be formed incrementally for 20 cycles. PT91S 2022-12-16T14:03:13.000 -19.15235 -19.08635 -14.32271 -14.32123 -10.30673 -10.22065 -10.20417 -10.20323 -10.19704 -10.19465 -10.17598 -10.17303 -10.16093 -1.09826 -1.00705 -0.93840 -0.91975 -0.79655 -0.77923 -0.71761 -0.71300 -0.68577 -0.64067 -0.60319 -0.58078 -0.57125 -0.55169 -0.49990 -0.49124 -0.48442 -0.47409 -0.46440 -0.44911 -0.44089 -0.43531 -0.42935 -0.41627 -0.40571 -0.40203 -0.39012 -0.37977 -0.37663 -0.37482 -0.35522 -0.35405 -0.34859 -0.34498 -0.33846 -0.29537 -0.27706 -0.25658 -0.23241 -0.00509 0.00774 0.01201 0.01602 0.02505 0.02962 0.03335 0.04010 0.04310 0.04689 0.04961 0.05477 0.05688 0.06525 0.06946 0.07505 0.07579 0.08046 0.08902 0.09212 0.09364 0.09584 0.10736 0.11210 0.11404 0.11912 0.12167 0.12439 0.13252 0.13426 0.13612 0.14122 0.14993 0.16156 0.16629 0.17001 0.17384 0.18063 0.18149 0.18808 0.19264 0.19584 0.20013 0.20318 0.20668 0.21117 0.21677 0.22091 0.22313 0.22485 0.22782 0.23085 0.23618 0.23831 0.24462 0.24723 0.25062 0.25778 0.26097 0.26498 0.26639 0.27491 0.27764 0.27993 0.28456 0.29121 0.29730 0.30368 0.30906 0.31232 0.31405 0.32528 0.33387 0.33728 0.33853 0.34259 0.36581 0.36907 0.37398 0.38557 0.38854 0.40317 0.40587 0.41823 0.43351 0.44781 0.45788 0.46414 0.47578 0.48296 0.49379 0.51461 0.51736 0.51974 0.52923 0.54305 0.55312 0.55908 0.56455 0.57263 0.57963 0.59083 0.59336 0.61482 0.61819 0.62101 0.63321 0.64496 0.65286 0.65627 0.66159 0.66836 0.67606 0.68544 0.69078 0.69611 0.70110 0.70771 0.71076 0.72013 0.73053 0.73314 0.73563 0.73894 0.74537 0.75063 0.75564 0.76750 0.77599 0.78996 0.80210 0.81479 0.83268 0.86214 0.87346 0.90473 0.91328 0.92593 0.93340 0.96646 0.97093 0.97830 1.00391 1.02727 1.03340 1.05079 1.06717 1.09282 1.09516 1.10764 1.12825 1.14162 1.15897 1.18523 1.19675 1.19995 1.21355 1.23488 1.24449 1.26387 1.28376 1.29981 1.31554 1.34200 1.36244 1.38505 1.39973 1.40444 1.43767 1.45285 1.45974 1.47427 1.48567 1.49976 1.50906 1.51607 1.53000 1.53902 1.54526 1.54853 1.55746 1.56688 1.57744 1.59066 1.60255 1.61195 1.61259 1.61850 1.62607 1.62642 1.64157 1.64842 1.65707 1.66325 1.66958 1.67915 1.68323 1.69164 1.69976 1.71322 1.71781 1.73377 1.75297 1.75842 1.77125 1.77539 1.78774 1.79739 1.80248 1.80894 1.81402 1.83264 1.84335 1.85706 1.87210 1.88046 1.91026 1.93703 1.97176 1.98900 2.00873 2.01781 2.03679 2.05688 2.06532 2.08357 2.09748 2.10046 2.11541 2.12477 2.15008 2.16506 2.17051 2.17856 2.20935 2.24847 2.25702 2.27023 2.28639 2.29990 2.31315 2.33287 2.35134 2.39494 2.41970 2.44308 2.44457 2.44905 2.46049 2.47670 2.48249 2.49846 2.50900 2.51340 2.52698 2.53215 2.54350 2.54969 2.56876 2.57381 2.59127 2.59930 2.62410 2.62713 2.63692 2.63812 2.64680 2.65284 2.66995 2.68251 2.68797 2.70876 2.71644 2.72353 2.74688 2.74728 2.75363 2.76727 2.78828 2.80065 2.80804 2.82336 2.83926 2.85831 2.86948 2.87523 2.89790 2.91849 2.93362 2.94820 2.97493 2.99711 3.02455 3.06166 3.06586 3.09201 3.10700 3.11378 3.16038 3.19203 3.23977 3.33284 3.35202 3.36857 3.39134 3.43734 3.52535 3.59873 3.62637 3.67398 3.71266 3.75728 3.77091 3.78376 3.79084 3.80884 3.81296 3.81868 3.82265 3.83855 3.84118 3.87232 3.87693 4.04974 4.07607 4.09196 4.11676 4.18829 4.22736 4.32920 4.34588 4.84251 4.85738 4.86272 4.93793 5.04784 5.10768 5.24751 5.43115 5.71405 5.88711 23.84077 23.85144 23.86267 23.90450 23.90914 23.92995 23.93888 23.96496 23.98173 35.51759 35.61599 49.92932 50.04398 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 O O N N C C C C C C C C C H H H H H H H H H H H H H H H H H H H H -0.136215 -0.341819 -0.067538 -0.218237 -0.193456 -0.334345 -0.291304 -0.420168 -0.295912 -0.041094 -0.357671 0.069119 -0.428310 0.148602 0.155006 0.139132 0.134570 0.141566 0.185785 0.302904 0.130452 0.147600 0.140620 0.122044 0.137481 0.137497 0.158507 0.161398 0.153134 0.145508 0.135292 0.141699 0.138153 -0.00000 1.7777 2.7582 -0.1924 3.2870 -72.9789 -88.7951 -84.1156 -4.9557 -0.2765 1.5406 8.9843 -6.8319 -2.1524 -4.9557 -0.2765 1.5406 -21.4719 13.1029 -2.0547 15.2264 -3.5910 -5.6205 0.0236 -0.0306 -10.6075 -4.9948 -2833.1195 -1346.6173 -317.6006 -0.8423 -17.2788 -32.4361 3.3238 -7.6629 -6.5802 -707.7801 -537.9915 -275.7178 -0.9011 11.1177 3.8421 (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A) (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A) GINC-FUENTIDUENYA APULGAR 2022-12-16T00:00:00.000 0 Wavefunction propamocarb CONF32 gas 0 1 Version=EM64L-G16RevC.01 State=1-A HF=-615.1868314 RMSD=1.678e-09 Dipole=0.7232717,-1.0718758,0.0190076 Quadrupole=6.4901994,-5.0441471,-1.4460523,3.9062106,0.582257,0.9961513 PG=C01 [X(C9H20N2O2)] 0 -1.6875874276 0.2347808755 0.5056621488 0 -1.2051499878 2.2886846021 -0.3471378592 0 2.1396794666 -1.0786734944 0.1579499032 0 0.3322865642 1.0996477422 0.8826175147 0 2.3116061618 1.3214996464 -0.6255356613 0 3.0287764718 0.0142522185 -0.2666984516 0 1.4857393988 1.9161554746 0.5242740848 0 1.3042165712 -1.5718515114 -0.9360181317 0 2.9030238909 -2.1678285481 0.760358577 0 -3.0194241702 0.3256446435 -0.042388431 0 -3.6832328495 -1.0277491615 0.1476508015 0 -0.8729841949 1.3046476025 0.2849538965 0 -2.9805404449 -2.154975866 -0.6144518133 0 3.079426668 2.0471829059 -0.9167481742 0 1.6669704129 1.1930053755 -1.5001704988 0 3.7120211098 0.2154380555 0.5655514488 0 3.6558047586 -0.3063091441 -1.120509992 0 2.1142150223 2.0297777244 1.4139814619 0 1.1151587945 2.904204427 0.250380921 0 0.5526397746 0.1422372805 1.1339137345 0 1.9031810563 -1.9606282577 -1.7791220192 0 0.655304732 -0.7796409879 -1.3101416192 0 0.6619892907 -2.3759313589 -0.5705772106 0 3.617509341 -2.6280192936 0.0534656594 0 2.2217309659 -2.9470375146 1.1100797285 0 3.4649871923 -1.7971542069 1.6209220311 0 -2.9535105795 0.5972373475 -1.0998969938 0 -3.5633489882 1.120793197 0.4749022823 0 -3.7164693343 -1.2593651626 1.217399136 0 -4.722337631 -0.9360833315 -0.1880138973 0 -2.9627120622 -1.9490150165 -1.6896067152 0 -1.9473758682 -2.2621691555 -0.2770577051 0 -3.4892561584 -3.1107187116 -0.4643594075 Gaussian 16 16-Dec-2022 Gaussian 16 3-Jul-2019 EM64L-G16RevC.01 93 C1[X(C9H20N2O2)] RB3LYP TD-FC 6-311+G(d,p) SP #P B3LYP 6-311+G(d,p) EmpiricalDispersion=gd3 geom=checkguess=read td=(singlets,nstates=10) 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 0 168.10849999999994 AuxInfo=1/0/N:5;6;7;8;9;10;11;12;13;3;4;1;2;14;15;16;17;18;19;20;21;22;23;24;25;26;27;28;29;30;31;32;33/rA:33nO0O0N0N0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:-1.6876,.2348,.5057;-1.2051,2.2887,-.3471;2.1397,-1.0787,.158;.3323,1.0996,.8826;2.3116,1.3215,-.6255;3.0288,.0143,-.2667;1.4857,1.9162,.5243;1.3042,-1.5719,-.936;2.903,-2.1678,.7604;-3.0194,.3256,-.0424;-3.6832,-1.0277,.1477;-.873,1.3046,.285;-2.9805,-2.155,-.6145;3.0794,2.0472,-.9167;1.667,1.193,-1.5002;3.712,.2154,.5656;3.6558,-.3063,-1.1205;2.1142,2.0298,1.414;1.1152,2.9042,.2504;.5526,.1422,1.1339;1.9032,-1.9606,-1.7791;.6553,-.7796,-1.3101;.662,-2.3759,-.5706;3.6175,-2.628,.0535;2.2217,-2.947,1.1101;3.465,-1.7972,1.6209;-2.9535,.5972,-1.0999;-3.5633,1.1208,.4749;-3.7165,-1.2594,1.2174;-4.7223,-.9361,-.188;-2.9627,-1.949,-1.6896;-1.9474,-2.2622,-.2771;-3.4893,-3.1107,-.4644; oldchk=/home/apulgar/almacen/pesticidas/F2-F4/propamocarb/gaussian/gas/CONF32/o #P B3LYP 6-311+G(d,p) EmpiricalDispersion=gd3 geom=check guess=read td 1/29=2,38=1,172=1/1 2/12=2,40=1/2 3/5=4,6=6,7=111,11=9,14=-4,25=1,30=1,74=-5,116=-2,124=31/1,2,3,8 4/5=1/1 5/5=2,38=6/2 8/6=1,10=2,108=10/1 9/41=10,42=1,48=1,70=2/14 6/7=2,8=2,9=2,10=2/1 99/5=1,9=1/99 Electronic spectrum propamocarb CONF32 gas Redundant internal coordinates found in file. (old form). 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 16 16 14 14 12 12 12 12 12 12 12 12 12 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 15.9949146 15.9949146 14.0030740 14.0030740 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 0 0 2 2 0 0 0 0 0 0 0 0 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5.6000000 5.6000000 4.5500000 4.5500000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 (Enter /usr/local/gaussian/gaussian16/g16/l101.exe) 6-311+G(d,p) (5D, 7F) 0.10000e-02 0.10000e-05 F 419 A 406 A 406 628 419 52 52 882.3928837357 33 33 33 1.00e+00 60 F IExCor= 402 DFT=T Ex+Corr=B3LYP ExCW=0 ScaHFX= 0.200000 ScaDFX= 0.800000 0.720000 1.000000 0.810000 ScalE2= 1.000000 1.000000 IRadAn= 5 IRanWt= -1 IRanGd= 0 ICorTp=0 IEmpDi=131 Grimme-D3 -0.0312564742 0.000000 2.275639 0.000000 4.061285 4.773060 0.000000 2.229345 2.299960 2.921797 0.000000 4.295825 3.657940 2.530660 2.498289 0.000000 4.784272 4.806833 1.471498 3.125711 1.533621 0.000000 3.591291 2.852897 3.087204 1.457926 1.535491 2.573682 0.000000 3.780642 4.641922 1.462186 3.374758 3.079402 2.436764 3.785710 0.000000 5.187592 6.161506 1.460085 4.159332 3.800775 2.414982 4.329360 2.406048 0.000000 1.443054 2.690351 5.350570 3.562118 5.454509 6.060364 4.811167 4.805511 6.475894 0.000000 2.388463 4.169466 5.823144 4.603302 6.484974 6.805036 5.960427 5.132742 6.712225 1.519352 0.000000 1.362683 1.215814 3.843500 1.360847 3.312234 4.146466 2.448427 3.808572 5.151926 2.381765 3.654644 0.000000 2.938932 4.792660 5.288826 4.879407 6.331889 6.398310 6.149672 4.336194 6.042069 2.546026 1.531410 4.149665 0.000000 5.294570 4.329016 3.436434 3.417941 1.095887 2.134933 2.152569 4.031024 4.539838 6.397201 7.504780 4.197261 7.380564 0.000000 4.024254 3.283150 2.851901 2.732723 1.094099 2.182986 2.157352 2.845047 4.234740 4.983948 6.022602 3.106526 5.795932 1.750724 0.000000 5.399975 5.413864 2.076806 3.507843 2.145512 1.095417 2.801870 3.353601 2.524359 6.759741 7.510655 4.720952 7.197336 2.439811 3.066770 0.000000 5.611511 5.564259 2.128296 4.127349 2.168324 1.106760 3.514804 2.676864 2.751291 6.791200 7.482659 5.008038 6.907586 2.431595 2.519434 1.765838 0.000000 4.301251 3.766531 3.352720 2.079124 2.168006 2.779110 1.095204 4.376109 4.320803 5.601726 6.675512 3.274733 6.898060 2.522744 3.064718 2.562157 3.775904 0.000000 3.878966 2.473808 4.113575 2.066165 2.168795 3.504444 1.090224 4.634475 5.402042 4.881543 6.204464 2.551958 6.566429 2.440292 2.509408 3.751332 4.317594 1.765418 0.000000 2.328494 3.144928 2.227515 1.014071 2.753232 2.847692 2.095023 2.790625 3.316663 3.765231 4.503798 2.025916 4.562602 3.770767 3.047006 3.210932 3.861768 2.465718 2.953899 0.000000 4.788912 5.456094 2.141500 4.349466 3.502847 2.730301 4.528724 1.104866 2.737075 5.698713 5.982536 4.757050 5.024437 4.264949 3.174746 3.674869 2.498446 5.115055 5.329771 3.838200 0.000000 3.132944 3.715278 2.109048 2.905901 2.761668 2.711532 3.364821 1.090253 3.356528 4.041347 4.583626 3.037146 3.949038 3.744604 2.225065 3.721817 3.043518 4.176374 4.027085 2.614155 1.780974 0.000000 3.673502 5.029391 2.096950 3.781551 4.049105 3.377425 4.505471 1.092038 2.614753 4.596771 4.605909 4.078571 3.649489 5.052502 3.822491 4.160370 3.680855 5.045563 5.362758 3.042765 1.781464 1.759302 0.000000 6.045176 6.898732 2.143682 5.037428 4.214870 2.725933 5.041391 2.728716 1.105424 7.265136 7.474662 5.973608 6.648620 4.805035 4.562742 2.890746 2.601927 5.079958 6.075034 4.270259 2.596673 3.748411 3.031184 0.000000 5.076619 6.424934 2.098587 4.471845 4.608779 3.363938 4.953332 2.630492 1.092534 6.285566 6.283195 5.323056 5.537599 5.457647 4.925558 3.538181 3.742398 4.987244 6.016695 3.511417 3.069522 3.606767 2.362957 1.779439 0.000000 5.649919 6.509802 2.100700 4.330170 4.012837 2.652279 4.348417 3.355240 1.092599 7.022853 7.338907 5.497634 6.831527 4.622484 4.681361 2.285905 3.126416 4.063597 5.431653 3.532730 3.745165 4.185783 3.604781 1.780595 1.768863 0.000000 2.076477 2.546449 5.507399 3.870303 5.335825 6.068101 4.907588 4.781218 6.738333 1.093815 2.174730 2.597466 2.794828 6.207432 4.675896 6.881047 6.670822 5.835546 4.868205 4.182108 5.530956 3.868274 4.710812 7.410184 6.650489 7.371098 0.000000 2.074716 2.756959 6.120674 3.916970 5.980497 6.725364 5.111588 5.738835 7.260199 1.093483 2.176626 2.703321 3.501003 6.849917 5.591276 7.332046 7.529817 5.826050 5.011926 4.281732 6.667738 4.959342 5.583332 8.111469 7.100553 7.695797 1.768052 0.000000 2.618283 4.619866 5.953953 4.697813 6.811385 7.023033 6.134112 5.471941 6.697155 2.141306 1.095040 3.940688 2.167807 7.853155 6.510048 7.601475 7.792596 6.697312 6.450974 4.494080 6.407135 5.072574 4.859473 7.550841 6.174300 7.212861 3.065769 2.497979 0.000000 3.325931 4.774417 6.872212 5.553348 7.400302 7.809552 6.868977 6.105986 7.782207 2.124401 1.095816 4.479073 2.168273 8.384418 6.861343 8.545892 8.453368 7.622413 7.001169 5.543975 6.890487 5.495697 5.586635 8.513167 7.345003 8.428878 2.512240 2.452234 1.758257 0.000000 3.348748 4.780099 5.495940 5.173751 6.296582 6.463515 6.295199 4.349348 6.360587 2.809025 2.177934 4.341909 1.094850 7.285214 5.598405 7.370391 6.843034 7.158089 6.629202 4.970242 4.866730 3.821188 3.817453 6.840955 5.976014 7.231734 2.613665 3.803891 3.081307 2.525291 0.000000 2.629620 4.611516 4.277139 4.224159 5.577011 5.472138 5.466883 3.388749 4.960999 2.810896 2.171951 3.767274 1.092133 6.651952 5.147595 6.235167 5.994367 6.146295 6.028990 3.744608 4.144142 3.168454 2.628285 5.586684 4.446869 5.754324 3.140952 3.823774 2.523630 3.076824 1.767560 0.000000 3.921648 5.863825 6.016759 5.843434 7.302092 7.231131 7.141249 5.056477 6.576490 3.493908 2.179666 5.186695 1.093053 8.363982 6.795706 7.998902 7.703710 7.832736 7.608600 5.428915 5.668306 4.829768 4.217112 7.141937 5.926299 7.378032 3.799983 4.335135 2.511463 2.515133 1.768625 1.769891 0.000000 C9H20N2O2 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 0 168.10849999999994 AuxInfo=1/0/N:5;6;7;8;9;10;11;12;13;3;4;1;2;14;15;16;17;18;19;20;21;22;23;24;25;26;27;28;29;30;31;32;33/rA:33nO0O0N0N0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:-1.691,-.3448,-.5095;-1.1798,-2.3272,.4841;2.0983,1.0783,-.1784;.3547,-1.1844,-.7923;2.3083,-1.2613,.7629;3.0031,.0365,.3327;1.5188,-1.9485,-.3605;1.2306,1.6215,.8656;2.8489,2.1438,-.8366;-3.0311,-.4313,.0189;-3.721,.8909,-.2711;-.8572,-1.3786,-.2047;-3.0589,2.0814,.4285;3.0863,-1.9483,1.1148;1.6439,-1.0917,1.6154;3.7069,-.2021,-.472;3.6058,.4264,1.1751;2.1671,-2.1047,-1.2293;1.1651,-2.9252,-.0295;.5585,-.2404,-1.1015;1.804,2.0781,1.6923;.5923,.8401,1.2787;.578,2.3849,.4368;3.5388,2.6656,-.1483;2.1574,2.8825,-1.2488;3.4359,1.7315,-1.6608;-2.98,-.6322,1.0929;-3.5468,-1.2709,-.4552;-3.7383,1.0519,-1.3541;-4.7643,.7967,.0508;-3.0577,1.946,1.515;-2.0219,2.1908,.1038;-3.5858,3.0131,.2072; 1.0072035 0.4682451 0.3511498 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. One-electron integral symmetry used in STVInt NBasis= 406 RedAO= T EigKep= 2.02D-05 NBF= 406 NBsUse= 406 1.00D-06 EigRej= -1.00D+00 NBFU= 406 Precomputing XC quadrature grid using IXCGrd= 4 IRadAn= 5 IRanWt= -1 IRanGd= 0 AccXCQ= 0.00D+00. Generated NRdTot= 0 NPtTot= 0 NUsed= 0 NTot= 32 NSgBfM= 419 419 419 419 419 MxSgAt= 33 MxSgA2= 33. 1 Closed 1 1 1 -615.186831436448 -615.186831436 1 6.125168062309e+02 -3.198637105163e+03 1.088571840234e+03 Using DIIS extrapolation, IDIIS= 1040. NGot= 11324620800 LenX= 11324261300 LenY= 11324085298 Requested convergence on RMS density matrix=1.00D-08 within 128 cycles. Requested convergence on MAX density matrix=1.00D-06. Requested convergence on energy=1.00D-06. No special actions if energy rises. Fock matrices will be formed incrementally for 20 cycles. 1 Singlet-A 5.4204 228.74 0.0187 0.000 52 53 0.69462 -614.987636541 2 Singlet-A 5.8643 211.42 0.0024 0.000 52 54 0.61727 52 55 0.31157 3 Singlet-A 5.9491 208.41 0.0107 0.000 52 54 0.17500 52 55 -0.45430 52 56 0.48936 4 Singlet-A 6.0731 204.15 0.0718 0.000 51 53 0.26439 52 54 -0.21422 52 55 0.32839 52 56 0.43958 52 57 0.25262 5 Singlet-A 6.1949 200.14 0.0039 0.000 51 53 0.62264 52 55 -0.22352 52 56 -0.13564 52 57 -0.10058 6 Singlet-A 6.3849 194.18 0.0164 0.000 51 54 0.11006 52 54 0.14740 52 55 -0.15120 52 56 -0.17325 52 57 0.60115 52 59 -0.15711 7 Singlet-A 6.4742 191.51 0.0167 0.000 52 58 0.64864 52 59 0.13288 52 62 -0.12690 52 63 0.10270 8 Singlet-A 6.5588 189.03 0.0197 0.000 51 54 0.21134 52 57 0.13273 52 58 -0.14654 52 59 0.59277 52 60 0.11073 52 63 0.14598 9 Singlet-A 6.5662 188.82 0.0202 0.000 51 54 0.55906 51 55 0.26415 52 57 -0.10359 52 59 -0.19751 52 60 0.17672 10 Singlet-A 6.6399 186.73 0.0157 0.000 51 54 -0.22378 51 55 0.40296 51 56 -0.39992 52 60 0.26364 52 61 -0.13537 PT5207.700S 2022-12-16T14:14:13.000 -19.15235 -19.08635 -14.32271 -14.32123 -10.30673 -10.22065 -10.20417 -10.20323 -10.19704 -10.19465 -10.17598 -10.17303 -10.16093 -1.09826 -1.00705 -0.93840 -0.91975 -0.79655 -0.77923 -0.71761 -0.71300 -0.68577 -0.64067 -0.60319 -0.58078 -0.57125 -0.55169 -0.49990 -0.49124 -0.48442 -0.47409 -0.46440 -0.44911 -0.44089 -0.43531 -0.42935 -0.41627 -0.40571 -0.40203 -0.39012 -0.37977 -0.37663 -0.37482 -0.35522 -0.35405 -0.34859 -0.34498 -0.33846 -0.29537 -0.27706 -0.25658 -0.23241 -0.00509 0.00774 0.01201 0.01602 0.02505 0.02962 0.03335 0.04010 0.04310 0.04689 0.04961 0.05477 0.05688 0.06525 0.06946 0.07505 0.07579 0.08046 0.08902 0.09212 0.09364 0.09584 0.10736 0.11210 0.11404 0.11912 0.12167 0.12439 0.13252 0.13426 0.13612 0.14122 0.14993 0.16156 0.16629 0.17001 0.17384 0.18063 0.18149 0.18808 0.19264 0.19584 0.20013 0.20318 0.20668 0.21117 0.21677 0.22091 0.22313 0.22485 0.22782 0.23085 0.23618 0.23831 0.24462 0.24723 0.25062 0.25778 0.26097 0.26498 0.26639 0.27491 0.27764 0.27993 0.28456 0.29121 0.29730 0.30368 0.30906 0.31232 0.31405 0.32528 0.33387 0.33728 0.33853 0.34259 0.36581 0.36907 0.37398 0.38557 0.38854 0.40317 0.40587 0.41823 0.43351 0.44781 0.45788 0.46414 0.47578 0.48296 0.49379 0.51461 0.51736 0.51974 0.52923 0.54305 0.55312 0.55908 0.56455 0.57263 0.57963 0.59083 0.59336 0.61482 0.61819 0.62101 0.63321 0.64496 0.65286 0.65627 0.66159 0.66836 0.67606 0.68544 0.69078 0.69611 0.70110 0.70771 0.71076 0.72013 0.73053 0.73314 0.73563 0.73894 0.74537 0.75063 0.75564 0.76750 0.77599 0.78996 0.80210 0.81479 0.83268 0.86214 0.87346 0.90473 0.91328 0.92593 0.93340 0.96646 0.97093 0.97830 1.00391 1.02727 1.03340 1.05079 1.06717 1.09282 1.09516 1.10764 1.12825 1.14162 1.15897 1.18523 1.19675 1.19995 1.21355 1.23488 1.24449 1.26387 1.28376 1.29981 1.31554 1.34200 1.36244 1.38505 1.39973 1.40444 1.43767 1.45285 1.45974 1.47427 1.48567 1.49976 1.50906 1.51607 1.53000 1.53902 1.54526 1.54853 1.55746 1.56688 1.57744 1.59066 1.60255 1.61195 1.61259 1.61850 1.62607 1.62642 1.64157 1.64842 1.65707 1.66325 1.66958 1.67915 1.68323 1.69164 1.69976 1.71322 1.71781 1.73377 1.75297 1.75842 1.77125 1.77539 1.78774 1.79739 1.80248 1.80894 1.81402 1.83264 1.84335 1.85706 1.87210 1.88046 1.91026 1.93703 1.97176 1.98900 2.00873 2.01781 2.03679 2.05688 2.06532 2.08357 2.09748 2.10046 2.11541 2.12477 2.15008 2.16506 2.17051 2.17856 2.20935 2.24847 2.25702 2.27023 2.28639 2.29990 2.31315 2.33287 2.35134 2.39494 2.41970 2.44308 2.44457 2.44905 2.46049 2.47670 2.48249 2.49846 2.50900 2.51340 2.52698 2.53215 2.54350 2.54969 2.56876 2.57381 2.59127 2.59930 2.62410 2.62713 2.63692 2.63812 2.64680 2.65284 2.66995 2.68251 2.68797 2.70876 2.71644 2.72353 2.74688 2.74728 2.75363 2.76727 2.78828 2.80065 2.80804 2.82336 2.83926 2.85831 2.86948 2.87523 2.89790 2.91849 2.93362 2.94820 2.97493 2.99711 3.02455 3.06166 3.06586 3.09201 3.10700 3.11378 3.16038 3.19203 3.23977 3.33284 3.35202 3.36857 3.39134 3.43734 3.52535 3.59873 3.62637 3.67398 3.71266 3.75728 3.77091 3.78376 3.79084 3.80884 3.81296 3.81868 3.82265 3.83855 3.84118 3.87232 3.87693 4.04974 4.07607 4.09196 4.11676 4.18829 4.22736 4.32920 4.34588 4.84251 4.85738 4.86272 4.93793 5.04784 5.10768 5.24751 5.43115 5.71405 5.88711 23.84077 23.85144 23.86267 23.90450 23.90914 23.92995 23.93888 23.96496 23.98173 35.51759 35.61599 49.92932 50.04398 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 O O N N C C C C C C C C C H H H H H H H H H H H H H H H H H H H H -0.136215 -0.341819 -0.067538 -0.218237 -0.193456 -0.334345 -0.291304 -0.420168 -0.295912 -0.041094 -0.357671 0.069119 -0.428310 0.148602 0.155006 0.139132 0.134570 0.141566 0.185785 0.302904 0.130452 0.147600 0.140620 0.122044 0.137481 0.137497 0.158507 0.161398 0.153134 0.145508 0.135292 0.141699 0.138153 -0.00000 1.7777 2.7582 -0.1924 3.2870 -72.9789 -88.7951 -84.1156 -4.9557 -0.2765 1.5406 8.9843 -6.8319 -2.1524 -4.9557 -0.2765 1.5406 -21.4719 13.1029 -2.0547 15.2264 -3.5910 -5.6205 0.0236 -0.0306 -10.6075 -4.9948 -2833.1195 -1346.6173 -317.6006 -0.8423 -17.2788 -32.4361 3.3238 -7.6629 -6.5802 -707.7801 -537.9915 -275.7178 -0.9011 11.1177 3.8421 (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A) (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A) GINC-FUENTIDUENYA APULGAR 2022-12-16T00:00:00.000 0 Electronic spectrum propamocarbCONF32 gas 0 1 Version=EM64L-G16RevC.01 State=1-A HF=-615.1868314 RMSD=1.676e-09 PG=C01 [X(C9H20N2O2)] 0 -1.6875874276 0.2347808755 0.5056621488 0 -1.2051499878 2.2886846021 -0.3471378592 0 2.1396794666 -1.0786734944 0.1579499032 0 0.3322865642 1.0996477422 0.8826175147 0 2.3116061618 1.3214996464 -0.6255356613 0 3.0287764718 0.0142522185 -0.2666984516 0 1.4857393988 1.9161554746 0.5242740848 0 1.3042165712 -1.5718515114 -0.9360181317 0 2.9030238909 -2.1678285481 0.760358577 0 -3.0194241702 0.3256446435 -0.042388431 0 -3.6832328495 -1.0277491615 0.1476508015 0 -0.8729841949 1.3046476025 0.2849538965 0 -2.9805404449 -2.154975866 -0.6144518133 0 3.079426668 2.0471829059 -0.9167481742 0 1.6669704129 1.1930053755 -1.5001704988 0 3.7120211098 0.2154380555 0.5655514488 0 3.6558047586 -0.3063091441 -1.120509992 0 2.1142150223 2.0297777244 1.4139814619 0 1.1151587945 2.904204427 0.250380921 0 0.5526397746 0.1422372805 1.1339137345 0 1.9031810563 -1.9606282577 -1.7791220192 0 0.655304732 -0.7796409879 -1.3101416192 0 0.6619892907 -2.3759313589 -0.5705772106 0 3.617509341 -2.6280192936 0.0534656594 0 2.2217309659 -2.9470375146 1.1100797285 0 3.4649871923 -1.7971542069 1.6209220311 0 -2.9535105795 0.5972373475 -1.0998969938 0 -3.5633489882 1.120793197 0.4749022823 0 -3.7164693343 -1.2593651626 1.217399136 0 -4.722337631 -0.9360833315 -0.1880138973 0 -2.9627120622 -1.9490150165 -1.6896067152 0 -1.9473758682 -2.2621691555 -0.2770577051 0 -3.4892561584 -3.1107187116 -0.4643594075 Gaussian 16 16-Dec-2022 Gaussian 16 3-Jul-2019 EM64L-G16RevC.01 93 C1[X(C9H20N2O2)] RB3LYP 6-311+G(3df,2p) SP #P B3LYP 6-311+G(3df,2p) EmpiricalDispersion=gd3 geom=checkguess=read 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 0 168.10849999999994 AuxInfo=1/0/N:5;6;7;8;9;10;11;12;13;3;4;1;2;14;15;16;17;18;19;20;21;22;23;24;25;26;27;28;29;30;31;32;33/rA:33nO0O0N0N0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:-1.6876,.2348,.5057;-1.2051,2.2887,-.3471;2.1397,-1.0787,.158;.3323,1.0996,.8826;2.3116,1.3215,-.6255;3.0288,.0143,-.2667;1.4857,1.9162,.5243;1.3042,-1.5719,-.936;2.903,-2.1678,.7604;-3.0194,.3256,-.0424;-3.6832,-1.0277,.1477;-.873,1.3046,.285;-2.9805,-2.155,-.6145;3.0794,2.0472,-.9167;1.667,1.193,-1.5002;3.712,.2154,.5656;3.6558,-.3063,-1.1205;2.1142,2.0298,1.414;1.1152,2.9042,.2504;.5526,.1422,1.1339;1.9032,-1.9606,-1.7791;.6553,-.7796,-1.3101;.662,-2.3759,-.5706;3.6175,-2.628,.0535;2.2217,-2.947,1.1101;3.465,-1.7972,1.6209;-2.9535,.5972,-1.0999;-3.5633,1.1208,.4749;-3.7165,-1.2594,1.2174;-4.7223,-.9361,-.188;-2.9627,-1.949,-1.6896;-1.9474,-2.2622,-.2771;-3.4893,-3.1107,-.4644; oldchk=/home/apulgar/almacen/pesticidas/F2-F4/propamocarb/gaussian/gas/CONF32/o #P B3LYP 6-311+G(3df,2p) EmpiricalDispersion=gd3 geom=check guess=read 1/29=2,38=1,172=1/1 2/12=2,40=1/2 3/5=4,6=6,7=216,11=2,14=-4,25=1,30=1,74=-5,116=-2,124=31/1,2,3 4/5=1/1 5/5=2,38=6/2 6/7=2,8=2,9=2,10=2,28=1/1 99/5=1,9=1/99 Single Point propamocarb CONF32 gas Redundant internal coordinates found in file. (old form). 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 16 16 14 14 12 12 12 12 12 12 12 12 12 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 15.9949146 15.9949146 14.0030740 14.0030740 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 0 0 2 2 0 0 0 0 0 0 0 0 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5.6000000 5.6000000 4.5500000 4.5500000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 (Enter /usr/local/gaussian/gaussian16/g16/l101.exe) 6-311+G(3df,2p) (5D, 7F) 0.10000e-02 0.10000e-05 F 765 A 687 A 687 974 765 52 52 882.3928837357 33 33 33 1.00e+00 60 F IExCor= 402 DFT=T Ex+Corr=B3LYP ExCW=0 ScaHFX= 0.200000 ScaDFX= 0.800000 0.720000 1.000000 0.810000 ScalE2= 1.000000 1.000000 IRadAn= 5 IRanWt= -1 IRanGd= 0 ICorTp=0 IEmpDi=131 Grimme-D3 -0.0312564742 0.000000 2.275639 0.000000 4.061285 4.773060 0.000000 2.229345 2.299960 2.921797 0.000000 4.295825 3.657940 2.530660 2.498289 0.000000 4.784272 4.806833 1.471498 3.125711 1.533621 0.000000 3.591291 2.852897 3.087204 1.457926 1.535491 2.573682 0.000000 3.780642 4.641922 1.462186 3.374758 3.079402 2.436764 3.785710 0.000000 5.187592 6.161506 1.460085 4.159332 3.800775 2.414982 4.329360 2.406048 0.000000 1.443054 2.690351 5.350570 3.562118 5.454509 6.060364 4.811167 4.805511 6.475894 0.000000 2.388463 4.169466 5.823144 4.603302 6.484974 6.805036 5.960427 5.132742 6.712225 1.519352 0.000000 1.362683 1.215814 3.843500 1.360847 3.312234 4.146466 2.448427 3.808572 5.151926 2.381765 3.654644 0.000000 2.938932 4.792660 5.288826 4.879407 6.331889 6.398310 6.149672 4.336194 6.042069 2.546026 1.531410 4.149665 0.000000 5.294570 4.329016 3.436434 3.417941 1.095887 2.134933 2.152569 4.031024 4.539838 6.397201 7.504780 4.197261 7.380564 0.000000 4.024254 3.283150 2.851901 2.732723 1.094099 2.182986 2.157352 2.845047 4.234740 4.983948 6.022602 3.106526 5.795932 1.750724 0.000000 5.399975 5.413864 2.076806 3.507843 2.145512 1.095417 2.801870 3.353601 2.524359 6.759741 7.510655 4.720952 7.197336 2.439811 3.066770 0.000000 5.611511 5.564259 2.128296 4.127349 2.168324 1.106760 3.514804 2.676864 2.751291 6.791200 7.482659 5.008038 6.907586 2.431595 2.519434 1.765838 0.000000 4.301251 3.766531 3.352720 2.079124 2.168006 2.779110 1.095204 4.376109 4.320803 5.601726 6.675512 3.274733 6.898060 2.522744 3.064718 2.562157 3.775904 0.000000 3.878966 2.473808 4.113575 2.066165 2.168795 3.504444 1.090224 4.634475 5.402042 4.881543 6.204464 2.551958 6.566429 2.440292 2.509408 3.751332 4.317594 1.765418 0.000000 2.328494 3.144928 2.227515 1.014071 2.753232 2.847692 2.095023 2.790625 3.316663 3.765231 4.503798 2.025916 4.562602 3.770767 3.047006 3.210932 3.861768 2.465718 2.953899 0.000000 4.788912 5.456094 2.141500 4.349466 3.502847 2.730301 4.528724 1.104866 2.737075 5.698713 5.982536 4.757050 5.024437 4.264949 3.174746 3.674869 2.498446 5.115055 5.329771 3.838200 0.000000 3.132944 3.715278 2.109048 2.905901 2.761668 2.711532 3.364821 1.090253 3.356528 4.041347 4.583626 3.037146 3.949038 3.744604 2.225065 3.721817 3.043518 4.176374 4.027085 2.614155 1.780974 0.000000 3.673502 5.029391 2.096950 3.781551 4.049105 3.377425 4.505471 1.092038 2.614753 4.596771 4.605909 4.078571 3.649489 5.052502 3.822491 4.160370 3.680855 5.045563 5.362758 3.042765 1.781464 1.759302 0.000000 6.045176 6.898732 2.143682 5.037428 4.214870 2.725933 5.041391 2.728716 1.105424 7.265136 7.474662 5.973608 6.648620 4.805035 4.562742 2.890746 2.601927 5.079958 6.075034 4.270259 2.596673 3.748411 3.031184 0.000000 5.076619 6.424934 2.098587 4.471845 4.608779 3.363938 4.953332 2.630492 1.092534 6.285566 6.283195 5.323056 5.537599 5.457647 4.925558 3.538181 3.742398 4.987244 6.016695 3.511417 3.069522 3.606767 2.362957 1.779439 0.000000 5.649919 6.509802 2.100700 4.330170 4.012837 2.652279 4.348417 3.355240 1.092599 7.022853 7.338907 5.497634 6.831527 4.622484 4.681361 2.285905 3.126416 4.063597 5.431653 3.532730 3.745165 4.185783 3.604781 1.780595 1.768863 0.000000 2.076477 2.546449 5.507399 3.870303 5.335825 6.068101 4.907588 4.781218 6.738333 1.093815 2.174730 2.597466 2.794828 6.207432 4.675896 6.881047 6.670822 5.835546 4.868205 4.182108 5.530956 3.868274 4.710812 7.410184 6.650489 7.371098 0.000000 2.074716 2.756959 6.120674 3.916970 5.980497 6.725364 5.111588 5.738835 7.260199 1.093483 2.176626 2.703321 3.501003 6.849917 5.591276 7.332046 7.529817 5.826050 5.011926 4.281732 6.667738 4.959342 5.583332 8.111469 7.100553 7.695797 1.768052 0.000000 2.618283 4.619866 5.953953 4.697813 6.811385 7.023033 6.134112 5.471941 6.697155 2.141306 1.095040 3.940688 2.167807 7.853155 6.510048 7.601475 7.792596 6.697312 6.450974 4.494080 6.407135 5.072574 4.859473 7.550841 6.174300 7.212861 3.065769 2.497979 0.000000 3.325931 4.774417 6.872212 5.553348 7.400302 7.809552 6.868977 6.105986 7.782207 2.124401 1.095816 4.479073 2.168273 8.384418 6.861343 8.545892 8.453368 7.622413 7.001169 5.543975 6.890487 5.495697 5.586635 8.513167 7.345003 8.428878 2.512240 2.452234 1.758257 0.000000 3.348748 4.780099 5.495940 5.173751 6.296582 6.463515 6.295199 4.349348 6.360587 2.809025 2.177934 4.341909 1.094850 7.285214 5.598405 7.370391 6.843034 7.158089 6.629202 4.970242 4.866730 3.821188 3.817453 6.840955 5.976014 7.231734 2.613665 3.803891 3.081307 2.525291 0.000000 2.629620 4.611516 4.277139 4.224159 5.577011 5.472138 5.466883 3.388749 4.960999 2.810896 2.171951 3.767274 1.092133 6.651952 5.147595 6.235167 5.994367 6.146295 6.028990 3.744608 4.144142 3.168454 2.628285 5.586684 4.446869 5.754324 3.140952 3.823774 2.523630 3.076824 1.767560 0.000000 3.921648 5.863825 6.016759 5.843434 7.302092 7.231131 7.141249 5.056477 6.576490 3.493908 2.179666 5.186695 1.093053 8.363982 6.795706 7.998902 7.703710 7.832736 7.608600 5.428915 5.668306 4.829768 4.217112 7.141937 5.926299 7.378032 3.799983 4.335135 2.511463 2.515133 1.768625 1.769891 0.000000 C9H20N2O2 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 0 168.10849999999994 AuxInfo=1/0/N:5;6;7;8;9;10;11;12;13;3;4;1;2;14;15;16;17;18;19;20;21;22;23;24;25;26;27;28;29;30;31;32;33/rA:33nO0O0N0N0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:-1.691,-.3448,-.5095;-1.1798,-2.3272,.4841;2.0983,1.0783,-.1784;.3547,-1.1844,-.7923;2.3083,-1.2613,.7629;3.0031,.0365,.3327;1.5188,-1.9485,-.3605;1.2306,1.6215,.8656;2.8489,2.1438,-.8366;-3.0311,-.4313,.0189;-3.721,.8909,-.2711;-.8572,-1.3786,-.2047;-3.0589,2.0814,.4285;3.0863,-1.9483,1.1148;1.6439,-1.0917,1.6154;3.7069,-.2021,-.472;3.6058,.4264,1.1751;2.1671,-2.1047,-1.2293;1.1651,-2.9252,-.0295;.5585,-.2404,-1.1015;1.804,2.0781,1.6923;.5923,.8401,1.2787;.578,2.3849,.4368;3.5388,2.6656,-.1483;2.1574,2.8825,-1.2488;3.4359,1.7315,-1.6608;-2.98,-.6322,1.0929;-3.5468,-1.2709,-.4552;-3.7383,1.0519,-1.3541;-4.7643,.7967,.0508;-3.0577,1.946,1.515;-2.0219,2.1908,.1038;-3.5858,3.0131,.2072; 1.0072035 0.4682451 0.3511498 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. One-electron integral symmetry used in STVInt NBasis= 687 RedAO= T EigKep= 1.30D-05 NBF= 687 NBsUse= 687 1.00D-06 EigRej= -1.00D+00 NBFU= 687 Precomputing XC quadrature grid using IXCGrd= 4 IRadAn= 5 IRanWt= -1 IRanGd= 0 AccXCQ= 0.00D+00. Generated NRdTot= 0 NPtTot= 0 NUsed= 0 NTot= 32 NSgBfM= 765 765 765 765 765 MxSgAt= 33 MxSgA2= 33. 1 Closed 1 1 1 -615.191843914354 -615.226759258131 -0.034915343777 -615.226746758572 0.000012499559 -615.226925678649 -0.000178920077 -615.226933888574 -0.000008209925 -615.226937011526 -0.000003122952 -615.226937192835 -0.000000181309 -615.226937210361 -0.000000017526 -615.226937210967 -0.000000000606 -615.226937211110 -0.000000000143 -615.226937211 10 6.123798864411e+02 -3.198684953816e+03 1.088716502902e+03 Using DIIS extrapolation, IDIIS= 1040. NGot= 11324620800 LenX= 11323436788 LenY= 11322850798 Requested convergence on RMS density matrix=1.00D-08 within 128 cycles. Requested convergence on MAX density matrix=1.00D-06. Requested convergence on energy=1.00D-06. No special actions if energy rises. Fock matrices will be formed incrementally for 20 cycles. PT3556.600S 2022-12-16T14:21:38.000 -19.15239 -19.08496 -14.32201 -14.32111 -10.30365 -10.21860 -10.20262 -10.20163 -10.19548 -10.19299 -10.17444 -10.17174 -10.15992 -1.09483 -1.00361 -0.93681 -0.91797 -0.79528 -0.77813 -0.71659 -0.71159 -0.68466 -0.63961 -0.60214 -0.57996 -0.57016 -0.55016 -0.49896 -0.49046 -0.48362 -0.47326 -0.46350 -0.44840 -0.44029 -0.43469 -0.42858 -0.41545 -0.40512 -0.40130 -0.38943 -0.37907 -0.37596 -0.37426 -0.35472 -0.35344 -0.34804 -0.34422 -0.33801 -0.29517 -0.27640 -0.25682 -0.23276 -0.00617 0.00659 0.01110 0.01450 0.02411 0.02846 0.03160 0.03900 0.04151 0.04668 0.04856 0.05332 0.05582 0.06354 0.06789 0.07303 0.07391 0.07817 0.08709 0.08948 0.09176 0.09328 0.10479 0.10935 0.11162 0.11683 0.11886 0.12192 0.13021 0.13213 0.13306 0.13894 0.14700 0.15752 0.15982 0.16626 0.16901 0.17467 0.17797 0.18186 0.18602 0.18952 0.19339 0.19634 0.19936 0.20390 0.20898 0.21205 0.21528 0.21635 0.22040 0.22202 0.22744 0.22992 0.23564 0.23873 0.24249 0.24554 0.25307 0.25484 0.25667 0.26414 0.26809 0.27136 0.27545 0.28062 0.28413 0.28945 0.29116 0.29681 0.30025 0.30919 0.31356 0.31916 0.32194 0.32410 0.32880 0.34003 0.34363 0.34665 0.34885 0.35410 0.36125 0.36499 0.36921 0.38262 0.38862 0.39274 0.40242 0.40572 0.41276 0.41513 0.42146 0.42886 0.43650 0.44834 0.45511 0.45910 0.46508 0.46576 0.47906 0.48488 0.48934 0.49223 0.49897 0.51146 0.51418 0.52019 0.52649 0.52993 0.53294 0.54171 0.54547 0.55121 0.55836 0.56770 0.57438 0.58264 0.58970 0.59079 0.59347 0.59857 0.60169 0.60468 0.61388 0.61688 0.62990 0.63483 0.63789 0.63930 0.64966 0.65306 0.65869 0.66371 0.66888 0.67225 0.67930 0.68584 0.68917 0.69563 0.69873 0.70549 0.71314 0.71975 0.72428 0.73281 0.73854 0.74582 0.74970 0.76012 0.76288 0.76914 0.78123 0.78745 0.79547 0.80209 0.81447 0.81881 0.83208 0.83614 0.83842 0.84558 0.85964 0.86576 0.87180 0.88202 0.88660 0.90059 0.91696 0.92360 0.93127 0.94323 0.94493 0.95101 0.95529 0.97477 0.98224 0.99528 0.99907 1.00169 1.01010 1.02948 1.03126 1.03568 1.04247 1.06215 1.06487 1.07870 1.08514 1.08911 1.09499 1.10186 1.10713 1.11206 1.12107 1.12790 1.13712 1.14342 1.15162 1.15295 1.15433 1.16593 1.16864 1.17673 1.18029 1.18620 1.19327 1.19620 1.20320 1.21308 1.21754 1.22293 1.22741 1.23213 1.24646 1.24709 1.25175 1.26519 1.26955 1.27595 1.28493 1.29041 1.30092 1.30191 1.31745 1.32555 1.32649 1.33964 1.34365 1.34713 1.35712 1.35769 1.36289 1.37131 1.37925 1.38928 1.40447 1.40631 1.41167 1.41806 1.42462 1.43247 1.43692 1.44551 1.45081 1.45618 1.46761 1.47343 1.47709 1.48144 1.49312 1.49588 1.50159 1.50281 1.51059 1.51962 1.52502 1.53264 1.54097 1.55285 1.56269 1.57109 1.58212 1.61232 1.61530 1.62397 1.63162 1.64220 1.64999 1.65840 1.68042 1.68652 1.70462 1.71564 1.73450 1.74993 1.75271 1.78290 1.80203 1.83302 1.84019 1.86052 1.87802 1.88101 1.88425 1.90467 1.91904 1.92702 1.95068 1.95957 1.96679 1.97788 1.98840 1.99350 2.01479 2.02528 2.03036 2.05349 2.05728 2.06733 2.07155 2.07871 2.08426 2.08697 2.10622 2.11610 2.15129 2.15239 2.17216 2.20553 2.20745 2.22678 2.23142 2.25089 2.25730 2.27522 2.28483 2.30408 2.31621 2.32715 2.34315 2.36706 2.38436 2.41543 2.44849 2.46674 2.48982 2.50182 2.53487 2.56600 2.59480 2.61831 2.65615 2.67493 2.68732 2.69830 2.71300 2.74915 2.75507 2.78310 2.79597 2.80599 2.82369 2.83299 2.85503 2.86420 2.87273 2.89193 2.90378 2.91091 2.91982 2.92799 2.93382 2.95248 2.95873 2.96140 2.96677 2.97663 2.98293 2.99557 3.00706 3.02857 3.04033 3.04838 3.05787 3.06320 3.07517 3.07848 3.08840 3.09841 3.10735 3.12103 3.12632 3.14054 3.15785 3.17398 3.17998 3.19812 3.20077 3.21686 3.22515 3.22944 3.23967 3.24676 3.25301 3.26533 3.27471 3.28385 3.30058 3.30556 3.31030 3.31938 3.33998 3.34560 3.35622 3.37631 3.38095 3.39378 3.40388 3.41492 3.43490 3.43804 3.45932 3.46342 3.47934 3.50437 3.55166 3.56023 3.57331 3.58003 3.60966 3.61407 3.63033 3.65290 3.66088 3.67571 3.67909 3.69999 3.70988 3.72427 3.74276 3.75191 3.76812 3.79312 3.80889 3.81958 3.84751 3.86069 3.87316 3.87603 3.88839 3.88891 3.91793 3.93649 3.94802 3.96677 3.96725 3.98353 3.99705 4.01284 4.02774 4.04269 4.05120 4.09014 4.09574 4.14674 4.16092 4.17218 4.19454 4.21563 4.23190 4.23737 4.24875 4.27652 4.27716 4.29508 4.30648 4.31474 4.31706 4.33028 4.33273 4.33907 4.34863 4.36250 4.37231 4.37391 4.39450 4.39923 4.40899 4.41879 4.43228 4.45051 4.46271 4.47315 4.49209 4.50494 4.52526 4.53688 4.54735 4.55195 4.56093 4.57038 4.57176 4.58309 4.58955 4.61012 4.63018 4.63381 4.63922 4.65627 4.67632 4.68126 4.68261 4.68876 4.69688 4.70050 4.71907 4.73495 4.76282 4.78678 4.79339 4.82355 4.86158 4.89875 4.94101 4.96598 4.97473 4.98305 5.00253 5.02866 5.03161 5.10405 5.12127 5.13097 5.17032 5.23125 5.24341 5.26967 5.28602 5.32664 5.40944 5.42701 5.48877 5.50249 5.52047 5.54044 5.57705 5.59765 5.61376 5.63911 5.65542 5.71736 5.74104 5.76004 5.77112 5.78525 5.79675 5.80411 5.81380 5.82294 5.83045 5.85214 5.86605 5.88104 5.89997 5.91661 5.92635 5.94830 6.02137 6.07172 6.15176 6.33608 6.38257 6.43973 6.72651 7.02772 7.10918 7.17483 7.19896 7.21826 7.23871 7.26395 7.29907 7.31691 7.32110 7.34502 7.36075 7.39119 7.39818 7.42600 7.44729 7.47313 7.51099 7.52378 7.54278 7.64460 7.68083 7.75227 7.76305 7.80046 7.80979 7.90834 7.94881 7.97638 7.98284 8.03088 8.04175 8.04838 8.08300 8.08828 8.12099 8.13290 8.15965 8.21137 8.23647 8.31511 8.36002 8.40106 8.41446 8.44594 8.57413 8.61525 10.45221 10.62882 10.64328 10.67532 10.74807 10.83305 11.23279 11.28280 11.32930 11.38542 14.42342 14.45520 14.47446 14.49419 14.56935 14.71548 14.83458 15.01369 15.11903 15.23492 24.23688 24.27393 24.34786 24.36614 24.40599 24.44383 24.51650 24.53270 25.20175 35.99476 36.14636 50.24814 50.51269 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 O O N N C C C C C C C C C H H H H H H H H H H H H H H H H H H H H -0.568231 -0.750481 -0.529406 -0.793659 -0.099287 -0.144840 0.002118 -0.390271 -0.106677 0.092637 -0.210782 1.046171 -0.590397 0.128310 0.145662 0.148495 0.123924 0.144049 0.162323 0.260224 0.134713 0.166760 0.161852 0.121759 0.136901 0.134253 0.164119 0.143246 0.145622 0.134146 0.160456 0.186073 0.140219 -0.00000 1.7528 2.7353 -0.2551 3.2588 -73.2439 -88.6525 -83.8441 -4.9586 -0.2204 1.5416 8.6696 -6.7390 -1.9306 -4.9586 -0.2204 1.5416 -21.2379 12.1321 -2.2804 14.7435 -3.4015 -5.5783 -0.1236 -0.3322 -10.4428 -4.8497 -2836.0730 -1345.1924 -317.0650 -1.5675 -16.6925 -30.8819 3.4454 -7.4994 -6.3210 -707.8449 -537.8261 -275.0003 -0.7735 10.8470 3.7391 (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A) (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A) GINC-FUENTIDUENYA APULGAR 2022-12-16T00:00:00.000 0 Single Point propamocarb CONF32 gas 0 1 Version=EM64L-G16RevC.01 State=1-A HF=-615.2269372 RMSD=4.735e-09 Dipole=0.7128341,-1.064748,0.0440216 Quadrupole=6.2579181,-4.9747103,-1.2832077,3.9044367,0.5330925,0.9897057 PG=C01 [X(C9H20N2O2)] 0 -1.6875874276 0.2347808755 0.5056621488 0 -1.2051499878 2.2886846021 -0.3471378592 0 2.1396794666 -1.0786734944 0.1579499032 0 0.3322865642 1.0996477422 0.8826175147 0 2.3116061618 1.3214996464 -0.6255356613 0 3.0287764718 0.0142522185 -0.2666984516 0 1.4857393988 1.9161554746 0.5242740848 0 1.3042165712 -1.5718515114 -0.9360181317 0 2.9030238909 -2.1678285481 0.760358577 0 -3.0194241702 0.3256446435 -0.042388431 0 -3.6832328495 -1.0277491615 0.1476508015 0 -0.8729841949 1.3046476025 0.2849538965 0 -2.9805404449 -2.154975866 -0.6144518133 0 3.079426668 2.0471829059 -0.9167481742 0 1.6669704129 1.1930053755 -1.5001704988 0 3.7120211098 0.2154380555 0.5655514488 0 3.6558047586 -0.3063091441 -1.120509992 0 2.1142150223 2.0297777244 1.4139814619 0 1.1151587945 2.904204427 0.250380921 0 0.5526397746 0.1422372805 1.1339137345 0 1.9031810563 -1.9606282577 -1.7791220192 0 0.655304732 -0.7796409879 -1.3101416192 0 0.6619892907 -2.3759313589 -0.5705772106 0 3.617509341 -2.6280192936 0.0534656594 0 2.2217309659 -2.9470375146 1.1100797285 0 3.4649871923 -1.7971542069 1.6209220311 0 -2.9535105795 0.5972373475 -1.0998969938 0 -3.5633489882 1.120793197 0.4749022823 0 -3.7164693343 -1.2593651626 1.217399136 0 -4.722337631 -0.9360833315 -0.1880138973 0 -2.9627120622 -1.9490150165 -1.6896067152 0 -1.9473758682 -2.2621691555 -0.2770577051 0 -3.4892561584 -3.1107187116 -0.4643594075