Gaussian 16 GINC-BELVIS14 APULGAR Optimization Pirimiphos-methyl CONF1 gas EM64L-G16RevC.01 5-Feb-2024 Gaussian 16 3-Jul-2019 EM64L-G16RevC.01 39 39 81 81 554 (5D, 7F) 6-311+G(d,p) 111 111 C1[X(C11H20N3O3PS)] C1[X(C11H20N3O3PS)] RB3LYP 6-311+G(d,p) FOpt #P B3LYP 6-311+G(d,p) EmpiricalDispersion=gd3 opt freq 285.1747609999998 0 1 AuxInfo=1/0/N:9;10;11;12;13;14;15;16;17;18;19;6;7;8;3;4;5;2;1;20;21;22;23;24;25;26;27;28;29;30;31;32;33;34;35;36;37;38;39/rA:39nS0P0O0O0O0N0N0N0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:2.1363,-.8424,-1.6693;2.3277,.057,.0057;1.345,1.3224,.3142;2.1955,-.7839,1.3483;3.7224,.7981,.2438;-2.4271,-1.2286,.0362;-2.6787,1.0607,.0948;-.5379,.0513,.2087;-3.8653,-1.3954,-.0196;-1.5917,-2.4135,-.0265;-1.8707,-.0039,.1147;-4.4125,-1.3686,-1.4388;-1.1826,-2.92,1.3484;-2.1098,2.2543,.1616;-.0027,1.2411,.2468;-.7307,2.419,.2314;-3.0154,3.446,.1479;2.5611,-2.1564,1.3978;4.3598,1.5172,-.8032;-4.104,-2.3485,.4583;-4.3388,-.6162,.5748;-2.157,-3.1822,-.5576;-.7058,-2.2033,-.626;-4.2324,-.3984,-1.8995;-3.9476,-2.1339,-2.062;-5.4882,-1.5488,-1.4386;-.5808,-2.1738,1.8658;-2.0521,-3.1482,1.9664;-.5903,-3.8318,1.2584;-.2605,3.3901,.2699;-2.7749,4.1071,-.6856;-4.0531,3.1353,.0595;-2.9014,4.0284,1.0631;3.6436,-2.2782,1.3393;2.094,-2.7205,.5901;2.2113,-2.5366,2.3542;3.8046,2.4215,-1.0578;4.4677,.9024,-1.6976;5.3436,1.7988,-.4357; g16 /usr/local/gaussian/gaussian16/g16/l1.exe "/temporal/apulgar/opt-b3lyp-pople.com-6019226/Gau-1590947.inp" -scrdir="/temporal/apulgar/opt-b3lyp-pople.com-6019226/" chk=/home/apulgar/almacen/pesticidas/G1_new/Pirimiphos-methyl/gaussian/gas/CONF #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 Pirimiphos-methyl CONF1 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 34 35 36 37 38 39 32 31 16 16 16 14 14 14 12 12 12 12 12 12 12 12 12 12 12 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 31.9720718 30.9737634 15.9949146 15.9949146 15.9949146 14.0030740 14.0030740 14.0030740 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 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 1 0 0 0 2 2 2 0 0 0 0 0 0 0 0 0 0 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -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 R33 R34 R35 R36 R37 R38 R39 1 2 2 2 3 4 5 6 6 6 7 7 8 8 9 9 9 10 10 10 12 12 12 13 13 13 14 14 15 16 17 17 17 18 18 18 19 19 19 2 3 4 5 15 18 19 9 10 11 11 14 11 15 12 20 21 13 22 23 24 25 26 27 28 29 16 17 16 30 31 32 33 34 35 36 37 38 39 1.9108 1.6317 1.5897 1.5972 1.3518 1.4213 1.4211 1.449 1.4511 1.3475 1.3366 1.3239 1.3373 1.3053 1.5213 1.0926 1.0884 1.5213 1.0921 1.0901 1.0891 1.0909 1.0906 1.0893 1.0909 1.0911 1.3906 1.4969 1.3848 1.0796 1.0907 1.0868 1.0908 1.091 1.0902 1.087 1.0913 1.0907 1.0873 estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2 A1 A2 A3 A4 A5 A6 A7 A8 A9 A10 A11 A12 A13 A14 A15 A16 A17 A18 A19 A20 A21 A22 A23 A24 A25 A26 A27 A28 A29 A30 A31 A32 A33 A34 A35 A36 A37 A38 A39 A40 A41 A42 A43 A44 A45 A46 A47 A48 A49 A50 A51 A52 A53 A54 A55 A56 A57 A58 A59 A60 A61 A62 A63 A64 A65 A66 A67 A68 1 1 1 3 3 4 2 2 2 9 9 10 11 11 6 6 6 12 12 20 6 6 6 13 13 22 6 6 7 9 9 9 24 24 25 10 10 10 27 27 28 7 7 16 3 3 8 14 14 15 14 14 14 31 31 32 4 4 4 34 34 35 5 5 5 37 37 38 2 2 2 2 2 2 3 4 5 6 6 6 7 8 9 9 9 9 9 9 10 10 10 10 10 10 11 11 11 12 12 12 12 12 12 13 13 13 13 13 13 14 14 14 15 15 15 16 16 16 17 17 17 17 17 17 18 18 18 18 18 18 19 19 19 19 19 19 3 4 5 4 5 5 15 18 19 10 11 11 14 15 12 20 21 20 21 21 13 22 23 22 23 23 7 8 8 24 25 26 25 26 26 27 28 29 28 29 29 16 17 17 8 16 16 15 30 30 31 32 33 32 33 33 34 35 36 35 36 36 37 38 39 38 39 39 118.0646 118.8809 115.8857 101.5596 97.9289 101.0801 122.985 121.2545 121.1028 118.4104 121.1123 120.4614 117.2291 116.6343 113.0129 107.4814 109.1678 110.1721 109.904 106.8925 112.8034 107.3221 109.5224 110.143 110.0415 106.7993 118.258 116.9417 124.8003 110.5346 111.5478 110.589 108.2287 108.0841 107.7319 110.4754 111.5548 110.4675 108.333 108.1608 107.7327 122.374 117.2167 120.4073 117.7131 118.265 124.0205 114.9095 122.703 122.3875 110.8664 110.5379 110.7415 108.7657 107.1281 108.7008 111.1721 111.3236 106.5945 109.1256 109.1132 109.4535 111.294 111.3052 106.7303 109.0307 108.94 109.4824 estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2 D1 D2 D3 D4 D5 D6 D7 D8 D9 D10 D11 D12 D13 D14 D15 D16 D17 D18 D19 D20 D21 D22 D23 D24 D25 D26 D27 D28 D29 D30 D31 D32 D33 D34 D35 D36 D37 D38 D39 D40 D41 D42 D43 D44 D45 D46 D47 D48 D49 D50 D51 D52 D53 D54 D55 D56 D57 D58 D59 D60 D61 D62 D63 D64 D65 D66 D67 D68 D69 D70 D71 D72 D73 1 4 5 1 3 5 1 3 4 2 2 2 2 2 2 2 2 10 10 10 11 11 11 9 9 9 11 11 11 9 9 10 10 14 14 11 11 15 15 11 11 6 6 6 20 20 20 21 21 21 6 6 6 22 22 22 23 23 23 7 7 17 17 7 7 7 16 16 16 3 3 8 8 2 2 2 2 2 2 2 2 2 3 3 4 4 4 5 5 5 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 7 7 7 7 8 8 8 8 9 9 9 9 9 9 9 9 9 10 10 10 10 10 10 10 10 10 14 14 14 14 14 14 14 14 14 14 15 15 15 15 3 3 3 4 4 4 5 5 5 15 15 18 18 18 19 19 19 9 9 9 9 9 9 10 10 10 10 10 10 11 11 11 11 11 11 14 14 11 11 15 15 12 12 12 12 12 12 12 12 12 13 13 13 13 13 13 13 13 13 16 16 16 16 17 17 17 17 17 17 16 16 16 16 15 15 15 18 18 18 19 19 19 8 16 34 35 36 37 38 39 12 20 21 12 20 21 13 22 23 13 22 23 7 8 7 8 6 8 16 17 6 7 3 16 24 25 26 24 25 26 24 25 26 27 28 29 27 28 29 27 28 29 15 30 15 30 31 32 33 31 32 33 14 30 14 30 54.6679 -77.2243 179.6823 29.9069 161.3012 -98.1234 40.2211 -86.332 170.1683 14.5718 -165.8529 71.2539 -50.6414 -169.9416 69.2917 -52.5546 -171.9631 -89.6536 32.1201 147.7149 88.8998 -149.3264 -33.7316 -95.5899 25.906 141.4879 85.8469 -152.6572 -37.0753 -2.2034 177.7362 176.3205 -3.7399 -179.441 0.6245 0.8772 -179.6321 178.1497 -1.9151 -178.6809 1.7704 -63.2744 57.1927 177.0689 176.4782 -63.0547 56.8215 58.9458 179.4129 -60.7109 -62.6066 57.9569 177.7573 177.5095 -61.927 57.8734 60.0256 -179.4108 -59.6104 -0.9712 178.9835 179.5539 -0.4913 -121.9532 -1.259 119.2712 57.5481 178.2423 -61.2275 -179.9704 0.0748 -0.424 179.6211 estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|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 573 A 554 A 872 573 1909.9500830190 39 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= 554 RedAO= T EigKep= 1.20D-06 NBF= 554 NBsUse= 554 1.00D-06 EigRej= -1.00D+00 NBFU= 554 Berny optimization. local minimum Step number 44 out of a maximum of 190 All quantities printed in internal units (Hartrees-Bohrs-Radians) 0.00046 0.00104 0.00288 0.00355 0.00448 0.00483 0.00542 0.00629 0.01112 0.01396 0.01751 0.02015 0.02176 0.02344 0.02492 0.02621 0.02784 0.03237 0.03960 0.04289 0.04390 0.05095 0.05404 0.05487 0.05637 0.05645 0.05741 0.05767 0.06141 0.06788 0.09595 0.09639 0.10248 0.10257 0.10704 0.10743 0.12884 0.12899 0.12984 0.13182 0.13902 0.15242 0.15456 0.15852 0.15920 0.15970 0.15986 0.15997 0.16002 0.16003 0.16006 0.16011 0.16012 0.16032 0.16104 0.16194 0.16712 0.20944 0.21368 0.21914 0.22029 0.22349 0.23127 0.23954 0.24202 0.24813 0.24936 0.25068 0.25624 0.27917 0.30239 0.30399 0.32222 0.33194 0.33309 0.34319 0.34499 0.34615 0.34673 0.34693 0.34705 0.34729 0.34735 0.34750 0.34784 0.34796 0.34847 0.34893 0.34932 0.34985 0.35140 0.35142 0.35228 0.36018 0.36085 0.38071 0.39045 0.41905 0.42299 0.42878 0.44178 0.46434 0.47659 0.51589 0.53197 0.53366 0.55035 0.55942 0.58917 0.60564 0.68027 -1.37728421e-08 R1 R2 R3 R4 R5 R6 R7 R8 R9 R10 R11 R12 R13 R14 R15 R16 R17 R18 R19 R20 R21 R22 R23 R24 R25 R26 R27 R28 R29 R30 R31 R32 R33 R34 R35 R36 R37 R38 R39 A1 A2 A3 A4 A5 A6 A7 A8 A9 A10 A11 A12 A13 A14 A15 A16 A17 A18 A19 A20 A21 A22 A23 A24 A25 A26 A27 A28 A29 A30 A31 A32 A33 A34 A35 A36 A37 A38 A39 A40 A41 A42 A43 A44 A45 A46 A47 A48 A49 A50 A51 A52 A53 A54 A55 A56 A57 A58 A59 A60 A61 A62 A63 A64 A65 A66 A67 A68 D1 D2 D3 D4 D5 D6 D7 D8 D9 D10 D11 D12 D13 D14 D15 D16 D17 D18 D19 D20 D21 D22 D23 D24 D25 D26 D27 D28 D29 D30 D31 D32 D33 D34 D35 D36 D37 D38 D39 D40 D41 D42 D43 D44 D45 D46 D47 D48 D49 D50 D51 D52 D53 D54 D55 D56 D57 D58 D59 D60 D61 D62 D63 D64 D65 D66 D67 D68 D69 D70 D71 D72 D73 3.65724 3.10648 3.01977 3.03766 2.59337 2.72462 2.72499 2.76505 2.77047 2.56672 2.54391 2.52993 2.55899 2.47565 2.89172 2.06737 2.05944 2.89188 2.06619 2.06083 2.06305 2.06680 2.06746 2.06254 2.06685 2.06781 2.63526 2.84193 2.63304 2.04040 2.06186 2.06580 2.06601 2.06386 2.06184 2.05639 2.06462 2.06412 2.05663 2.05894 2.07693 2.02462 1.76913 1.71182 1.76218 2.16709 2.13810 2.11572 2.06959 2.11136 2.10195 2.04284 2.02773 1.96661 1.87163 1.89431 1.93001 1.91984 1.87862 1.96536 1.86965 1.90017 1.92931 1.91948 1.87710 2.06960 2.03312 2.18046 1.91804 1.93938 1.92921 1.89432 1.89372 1.88809 1.91670 1.93995 1.92735 1.89592 1.89509 1.88784 2.13453 2.02874 2.11990 2.06023 2.05123 2.17165 2.00884 2.15133 2.12300 1.95321 1.91680 1.91619 1.90281 1.90228 1.87060 1.92559 1.92684 1.84312 1.92167 1.92151 1.92382 1.92098 1.92785 1.84831 1.92286 1.91905 1.92357 1.05781 -1.24263 -3.03986 0.52180 2.81120 -1.71515 0.89645 -1.31320 -3.11630 0.11215 -3.04254 1.21602 -0.91203 -2.99130 1.18351 -0.94362 -3.02617 -1.57863 0.54906 2.57392 1.53788 -2.61761 -0.59275 -1.66275 0.46193 2.48695 1.50378 -2.65472 -0.62970 -0.04488 3.09530 3.07117 -0.07184 -3.13230 0.01084 0.01081 -3.13697 3.11719 -0.02592 -3.13542 0.02025 -1.08465 1.01229 3.10880 3.10419 -1.08205 1.01446 1.03151 3.12846 -1.05822 -1.08042 1.01801 3.11336 3.11227 -1.07248 1.02286 1.04213 3.14057 -1.04728 -0.01539 3.13277 3.13271 -0.00231 -3.13495 -1.01910 1.03348 0.00051 2.11636 -2.11424 -3.12861 0.00653 -0.00103 3.13411 0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00001 0.00001 0.00001 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 -0.00001 0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00002 0.00000 -0.00002 -0.00001 0.00002 0.00001 -0.00001 -0.00002 -0.00001 -0.00004 0.00002 0.00001 -0.00002 -0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00001 0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00001 -0.00001 0.00001 0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00001 0.00000 -0.00002 -0.00001 -0.00001 0.00002 -0.00002 -0.00001 0.00002 0.00002 0.00000 -0.00001 -0.00002 -0.00001 -0.00001 0.00001 -0.00000 0.00001 -0.00001 -0.00000 0.00003 -0.00002 -0.00000 -0.00000 -0.00000 -0.00000 0.00001 -0.00004 0.00003 -0.00000 0.00001 0.00001 -0.00001 -0.00000 -0.00000 0.00000 0.00000 -0.00001 0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00001 0.00001 0.00000 -0.00001 0.00001 0.00000 -0.00002 -0.00003 -0.00000 0.00002 0.00000 -0.00002 0.00002 -0.00000 -0.00001 -0.00001 0.00001 -0.00000 0.00001 -0.00002 0.00000 0.00000 0.00001 0.00001 -0.00000 0.00000 -0.00000 -0.00002 0.00030 0.00031 0.00030 0.00003 0.00003 0.00004 -0.00003 -0.00010 -0.00002 -0.00002 -0.00002 0.00037 0.00037 0.00037 0.00002 0.00003 0.00004 0.00034 0.00036 0.00036 0.00009 0.00009 0.00007 -0.00024 -0.00023 -0.00025 -0.00017 -0.00026 0.00016 0.00006 -0.00002 0.00009 -0.00005 -0.00001 0.00002 -0.00008 -0.00004 0.00003 -0.00001 -0.00002 -0.00001 -0.00003 -0.00003 -0.00003 -0.00002 -0.00003 -0.00002 -0.00003 -0.00002 -0.00003 -0.00003 -0.00002 -0.00003 -0.00002 -0.00001 -0.00002 0.00001 0.00004 -0.00003 0.00000 -0.00005 -0.00007 -0.00003 -0.00002 -0.00003 0.00001 0.00008 0.00004 0.00000 -0.00003 -0.00001 0.00002 -0.00001 -0.00001 -0.00002 0.00000 -0.00000 -0.00000 0.00001 0.00003 0.00000 0.00001 0.00001 0.00001 0.00000 0.00000 -0.00001 0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00002 -0.00000 0.00001 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00002 -0.00001 0.00003 0.00001 0.00001 -0.00001 -0.00001 -0.00001 0.00001 -0.00003 0.00001 0.00001 0.00002 0.00000 -0.00000 0.00001 -0.00002 0.00001 -0.00001 0.00000 -0.00000 0.00001 0.00002 -0.00002 0.00001 -0.00000 0.00002 0.00000 -0.00003 0.00000 0.00001 0.00000 -0.00001 -0.00000 -0.00000 0.00001 -0.00001 -0.00000 0.00001 0.00000 0.00000 -0.00000 -0.00001 0.00001 -0.00000 -0.00001 0.00001 -0.00001 0.00001 -0.00000 0.00002 0.00001 -0.00002 0.00000 0.00001 -0.00002 -0.00002 0.00000 -0.00000 0.00000 0.00001 0.00000 -0.00002 0.00001 0.00001 0.00001 0.00001 -0.00001 -0.00011 -0.00008 -0.00007 -0.00005 -0.00009 -0.00008 0.00010 0.00010 0.00010 0.00005 0.00017 0.00006 0.00006 0.00006 0.00037 0.00038 0.00038 0.00024 0.00026 0.00026 0.00008 0.00010 0.00010 -0.00019 -0.00021 -0.00021 -0.00003 -0.00005 -0.00005 0.00002 0.00021 -0.00014 0.00004 0.00011 -0.00009 0.00006 -0.00002 -0.00010 0.00009 0.00006 -0.00006 -0.00000 -0.00000 0.00000 -0.00002 -0.00003 -0.00002 -0.00003 -0.00003 -0.00003 0.00001 0.00001 0.00000 0.00001 0.00002 0.00001 0.00003 0.00003 0.00002 -0.00004 -0.00007 0.00005 0.00002 -0.00028 -0.00026 -0.00029 -0.00036 -0.00034 -0.00037 -0.00009 -0.00006 0.00004 0.00007 -0.00001 0.00004 -0.00001 -0.00003 -0.00003 0.00002 0.00001 -0.00002 -0.00001 0.00002 -0.00004 0.00003 0.00003 -0.00001 -0.00000 0.00001 -0.00001 0.00000 -0.00000 0.00000 0.00001 -0.00000 -0.00000 -0.00001 0.00000 -0.00000 -0.00003 -0.00001 0.00002 0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00001 0.00000 -0.00000 -0.00001 -0.00001 0.00001 -0.00001 0.00000 0.00001 -0.00003 -0.00002 0.00003 -0.00001 0.00002 0.00000 0.00000 -0.00001 -0.00001 0.00003 -0.00002 0.00001 -0.00002 0.00000 0.00003 -0.00001 0.00001 -0.00002 0.00000 -0.00001 0.00003 -0.00003 0.00000 -0.00000 0.00002 0.00001 -0.00002 -0.00000 -0.00001 0.00001 -0.00001 -0.00001 0.00001 0.00000 -0.00000 -0.00001 -0.00001 0.00002 0.00000 -0.00000 -0.00000 0.00001 0.00001 -0.00002 -0.00001 0.00000 0.00000 0.00001 -0.00001 0.00000 -0.00002 -0.00001 -0.00001 0.00002 0.00001 0.00001 -0.00005 0.00001 0.00001 0.00002 0.00002 -0.00001 -0.00010 -0.00008 -0.00009 0.00024 0.00022 0.00023 0.00013 0.00013 0.00013 0.00002 0.00007 0.00004 0.00004 0.00004 0.00075 0.00075 0.00075 0.00026 0.00029 0.00030 0.00042 0.00046 0.00046 -0.00010 -0.00012 -0.00013 -0.00027 -0.00029 -0.00030 -0.00014 -0.00006 0.00002 0.00011 0.00009 -0.00000 0.00001 -0.00003 -0.00008 0.00001 0.00002 -0.00003 -0.00001 -0.00002 -0.00001 -0.00005 -0.00006 -0.00005 -0.00005 -0.00006 -0.00005 -0.00003 -0.00001 -0.00003 -0.00001 -0.00000 -0.00002 0.00001 0.00002 0.00001 -0.00003 -0.00002 0.00001 0.00002 -0.00033 -0.00033 -0.00032 -0.00038 -0.00037 -0.00037 -0.00001 -0.00002 0.00004 0.00004 3.65724 3.10652 3.01976 3.03763 2.59334 2.72464 2.72500 2.76504 2.77046 2.56674 2.54387 2.52996 2.55901 2.47565 2.89171 2.06738 2.05944 2.89188 2.06619 2.06084 2.06306 2.06680 2.06746 2.06254 2.06685 2.06781 2.63522 2.84192 2.63305 2.04040 2.06186 2.06580 2.06601 2.06386 2.06184 2.05638 2.06462 2.06412 2.05663 2.05893 2.07692 2.02463 1.76912 1.71182 1.76219 2.16706 2.13808 2.11575 2.06958 2.11138 2.10195 2.04284 2.02773 1.96660 1.87166 1.89429 1.93002 1.91982 1.87863 1.96539 1.86964 1.90018 1.92928 1.91948 1.87709 2.06963 2.03309 2.18046 1.91804 1.93939 1.92921 1.89430 1.89372 1.88808 1.91671 1.93995 1.92734 1.89593 1.89510 1.88784 2.13452 2.02873 2.11992 2.06023 2.05123 2.17165 2.00884 2.15134 2.12298 1.95320 1.91680 1.91619 1.90282 1.90227 1.87060 1.92558 1.92683 1.84312 1.92169 1.92152 1.92383 1.92093 1.92786 1.84832 1.92288 1.91907 1.92357 1.05770 -1.24271 -3.03995 0.52205 2.81142 -1.71492 0.89658 -1.31307 -3.11617 0.11216 -3.04247 1.21606 -0.91199 -2.99126 1.18425 -0.94288 -3.02542 -1.57837 0.54936 2.57422 1.53831 -2.61715 -0.59229 -1.66286 0.46181 2.48681 1.50351 -2.65500 -0.63000 -0.04503 3.09524 3.07119 -0.07173 -3.13221 0.01083 0.01082 -3.13700 3.11711 -0.02590 -3.13541 0.02021 -1.08466 1.01227 3.10879 3.10414 -1.08211 1.01441 1.03146 3.12840 -1.05827 -1.08045 1.01800 3.11333 3.11226 -1.07248 1.02285 1.04214 3.14059 -1.04727 -0.01543 3.13275 3.13272 -0.00229 -3.13528 -1.01943 1.03316 0.00013 2.11599 -2.11461 -3.12862 0.00651 -0.00098 3.13415 |Maximum Force|RMS Force|Maximum Displacement|RMS Displacement| 0.000009 0.000002 0.001754 0.000326 0.000450 0.000300 0.001800 0.001200 YES YES YES YES -6.719790e-09 Optimization completed. -- Stationary point found. R1 R2 R3 R4 R5 R6 R7 R8 R9 R10 R11 R12 R13 R14 R15 R16 R17 R18 R19 R20 R21 R22 R23 R24 R25 R26 R27 R28 R29 R30 R31 R32 R33 R34 R35 R36 R37 R38 R39 1 2 2 2 3 4 5 6 6 6 7 7 8 8 9 9 9 10 10 10 12 12 12 13 13 13 14 14 15 16 17 17 17 18 18 18 19 19 19 2 3 4 5 15 18 19 9 10 11 11 14 11 15 12 20 21 13 22 23 24 25 26 27 28 29 16 17 16 30 31 32 33 34 35 36 37 38 39 1.9353 1.6439 1.598 1.6075 1.3724 1.4418 1.442 1.4632 1.4661 1.3582 1.3462 1.3388 1.3542 1.3101 1.5302 1.094 1.0898 1.5303 1.0934 1.0905 1.0917 1.0937 1.0941 1.0914 1.0937 1.0942 1.3945 1.5039 1.3933 1.0797 1.0911 1.0932 1.0933 1.0922 1.0911 1.0882 1.0926 1.0923 1.0883 -DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0 A1 A2 A3 A4 A5 A6 A7 A8 A9 A10 A11 A12 A13 A14 A15 A16 A17 A18 A19 A20 A21 A22 A23 A24 A25 A26 A27 A28 A29 A30 A31 A32 A33 A34 A35 A36 A37 A38 A39 A40 A41 A42 A43 A44 A45 A46 A47 A48 A49 A50 A51 A52 A53 A54 A55 A56 A57 A58 A59 A60 A61 A62 A63 A64 A65 A66 A67 A68 1 1 1 3 3 4 2 2 2 9 9 10 11 11 6 6 6 12 12 20 6 6 6 13 13 22 6 6 7 9 9 9 24 24 25 10 10 10 27 27 28 7 7 16 3 3 8 14 14 15 14 14 14 31 31 32 4 4 4 34 34 35 5 5 5 37 37 38 2 2 2 2 2 2 3 4 5 6 6 6 7 8 9 9 9 9 9 9 10 10 10 10 10 10 11 11 11 12 12 12 12 12 12 13 13 13 13 13 13 14 14 14 15 15 15 16 16 16 17 17 17 17 17 17 18 18 18 18 18 18 19 19 19 19 19 19 3 4 5 4 5 5 15 18 19 10 11 11 14 15 12 20 21 20 21 21 13 22 23 22 23 23 7 8 8 24 25 26 25 26 26 27 28 29 28 29 29 16 17 17 8 16 16 15 30 30 31 32 33 32 33 33 34 35 36 35 36 36 37 38 39 38 39 39 117.9683 118.9992 116.0021 101.3637 98.0799 100.9657 124.165 122.5043 121.222 118.579 120.9722 120.433 117.046 116.1806 112.6787 107.2365 108.536 110.5814 109.9987 107.6372 112.607 107.1233 108.8717 110.5411 109.9782 107.55 118.5794 116.4894 124.9312 109.8957 111.118 110.5354 108.5364 108.5024 108.1796 109.8186 111.1512 110.4292 108.6281 108.5809 108.1651 122.2995 116.2381 121.4614 118.0422 117.5267 124.4264 115.0978 123.2623 121.6387 111.9108 109.8246 109.7898 109.0232 108.9925 107.1776 110.3284 110.3998 105.6031 110.1038 110.0946 110.2269 110.0639 110.4575 105.9006 110.1718 109.9537 110.2127 -DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0 D1 D2 D3 D4 D5 D6 D7 D8 D9 D10 D11 D12 D13 D14 D15 D16 D17 D18 D19 D20 D21 D22 D23 D24 D25 D26 D27 D28 D29 D30 D31 D32 D33 D34 D35 D36 D37 D38 D39 D40 D41 D42 D43 D44 D45 D46 D47 D48 D49 D50 D51 D52 D53 D54 D55 D56 D57 D58 D59 D60 D61 D62 D63 D64 D65 D66 D67 D68 D69 D70 D71 D72 1 4 5 1 3 5 1 3 4 2 2 2 2 2 2 2 2 10 10 10 11 11 11 9 9 9 11 11 11 9 9 10 10 14 14 11 11 15 15 11 11 6 6 6 20 20 20 21 21 21 6 6 6 22 22 22 23 23 23 7 7 17 17 7 7 7 16 16 16 3 3 8 2 2 2 2 2 2 2 2 2 3 3 4 4 4 5 5 5 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 7 7 7 7 8 8 8 8 9 9 9 9 9 9 9 9 9 10 10 10 10 10 10 10 10 10 14 14 14 14 14 14 14 14 14 14 15 15 15 3 3 3 4 4 4 5 5 5 15 15 18 18 18 19 19 19 9 9 9 9 9 9 10 10 10 10 10 10 11 11 11 11 11 11 14 14 11 11 15 15 12 12 12 12 12 12 12 12 12 13 13 13 13 13 13 13 13 13 16 16 16 16 17 17 17 17 17 17 16 16 16 15 15 15 18 18 18 19 19 19 8 16 34 35 36 37 38 39 12 20 21 12 20 21 13 22 23 13 22 23 7 8 7 8 6 8 16 17 6 7 3 16 24 25 26 24 25 26 24 25 26 27 28 29 27 28 29 27 28 29 15 30 15 30 31 32 33 31 32 33 14 30 14 60.6078 -71.1974 -174.1709 29.897 161.0697 -98.2709 51.363 -75.2409 -178.5509 6.4254 -174.3249 69.6729 -52.2552 -171.3886 67.8098 -54.0657 -173.3866 -90.4488 31.4591 147.4749 88.1141 -149.978 -33.9622 -95.2688 26.4669 142.4916 86.1603 -152.104 -36.0793 -2.5715 177.3475 175.9648 -4.1161 -179.4676 0.6208 0.6193 -179.7352 178.6019 -1.4848 -179.6466 1.1601 -62.1459 58.0001 178.1213 177.857 -61.9969 58.1243 59.1012 179.2473 -60.6315 -61.9036 58.3278 178.3822 178.3199 -61.4486 58.6057 59.7097 179.9412 -60.0045 -0.8819 179.4948 179.4908 -0.1325 -179.6193 -58.39 59.2143 0.0294 121.2587 -121.137 -179.2559 0.3741 -0.0588 -DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-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 -0.0409450904 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 285.1747609999998 AuxInfo=1/0/N:9;10;11;12;13;14;15;16;17;18;19;6;7;8;3;4;5;2;1;20;21;22;23;24;25;26;27;28;29;30;31;32;33;34;35;36;37;38;39/rA:39nS0P0O0O0O0N0N0N0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:2.1363,-.8424,-1.6693;2.3277,.057,.0057;1.345,1.3224,.3142;2.1955,-.7839,1.3483;3.7224,.7981,.2438;-2.4271,-1.2286,.0362;-2.6787,1.0607,.0948;-.5379,.0513,.2087;-3.8653,-1.3954,-.0196;-1.5917,-2.4135,-.0265;-1.8707,-.0039,.1147;-4.4125,-1.3686,-1.4388;-1.1826,-2.92,1.3484;-2.1098,2.2543,.1616;-.0027,1.2411,.2468;-.7307,2.419,.2314;-3.0154,3.446,.1479;2.5611,-2.1564,1.3978;4.3598,1.5172,-.8032;-4.104,-2.3485,.4583;-4.3388,-.6162,.5748;-2.157,-3.1822,-.5576;-.7058,-2.2033,-.626;-4.2323,-.3984,-1.8995;-3.9476,-2.1339,-2.062;-5.4882,-1.5488,-1.4386;-.5808,-2.1738,1.8658;-2.0521,-3.1482,1.9664;-.5902,-3.8318,1.2584;-.2605,3.39,.2699;-2.7749,4.1071,-.6856;-4.0531,3.1353,.0595;-2.9014,4.0284,1.0631;3.6436,-2.2782,1.3393;2.094,-2.7205,.5901;2.2113,-2.5366,2.3542;3.8046,2.4215,-1.0579;4.4677,.9024,-1.6976;5.3436,1.7988,-.4357; 0.000000 1.910757 0.000000 3.040876 1.631674 0.000000 3.018687 1.589727 2.495831 0.000000 2.977706 1.597189 2.435643 2.460523 0.000000 4.886915 4.925651 4.562149 4.825668 6.478188 0.000000 5.469680 5.106804 4.038091 5.360097 6.408222 2.303798 0.000000 3.387708 2.872828 2.274221 3.076905 4.325430 2.288410 2.369551 0.000000 6.248726 6.361161 5.886007 6.243251 7.902842 1.448975 2.730115 3.635495 0.000000 4.366274 4.633150 4.764108 4.346021 6.215034 1.451122 3.642242 2.690853 2.491203 0.000000 4.465595 4.200299 3.484139 4.320161 5.651804 1.347489 1.336567 1.337251 2.435778 2.429828 0.000000 6.573973 7.039213 6.592705 7.195518 8.585082 2.477375 3.355576 4.443348 1.521298 3.323187 3.276740 0.000000 4.943420 4.794558 5.045370 3.996755 6.253257 2.476121 4.433388 3.246951 3.375298 1.521269 3.240229 4.539553 0.000000 5.565121 4.954183 3.581457 5.401266 6.011831 3.499540 1.323924 2.706708 4.053994 4.700173 2.271226 4.581435 5.388933 0.000000 3.547914 2.625124 1.351779 3.185266 3.751394 3.467221 2.686355 1.305260 4.684263 3.994466 2.248757 5.394353 4.463230 2.339549 0.000000 4.740120 3.870923 2.348982 4.479774 4.739002 4.027477 2.378692 2.375661 4.943511 4.915315 2.680165 5.539986 5.473217 1.390618 1.384755 0.000000 6.944955 6.328890 4.852840 6.818079 7.240126 4.712820 2.409586 4.203106 4.918307 6.032499 3.634977 5.258372 6.732453 1.496866 3.734657 2.506307 0.000000 3.363612 2.625230 3.841292 1.421275 3.377823 5.253202 6.285074 3.986399 6.624689 4.397697 5.091203 7.569537 3.821036 6.542110 4.409219 5.755936 8.002921 0.000000 3.355830 2.629716 3.221118 3.822033 1.421069 7.369191 7.110152 5.211505 8.760667 7.174442 6.478782 9.256635 7.418571 6.582486 4.495515 5.272239 7.682315 4.644909 0.000000 6.762834 6.881760 6.571711 6.551569 8.438000 2.060194 3.712955 4.305605 1.092585 2.559516 3.256228 2.157416 3.106973 5.024966 5.454438 5.844594 5.904043 6.733664 9.389884 0.000000 6.856631 6.724557 6.010908 6.581980 8.191027 2.078391 2.407976 3.876376 1.088385 3.337410 2.584207 2.150888 3.983324 3.657719 4.728534 4.727424 4.293655 7.117374 9.061722 1.751972 0.000000 5.014265 5.560834 5.771956 5.322435 7.145116 2.059619 4.324302 3.696491 2.529898 1.092062 3.261257 3.025369 2.156631 5.484029 4.985390 5.833519 6.720686 5.209211 8.038214 2.349009 3.553385 0.000000 3.319332 3.835419 4.185721 3.785470 5.419780 2.085949 3.881368 2.409951 3.317059 1.090058 2.596732 3.885499 2.153849 4.739320 3.622184 4.701167 6.152038 3.843208 6.287555 3.569926 4.142339 1.751836 0.000000 6.388244 6.846307 6.242447 7.212025 8.324892 2.774013 2.918916 4.277343 2.159326 3.813354 3.128899 1.089053 5.119355 3.973677 5.018434 4.973899 4.522409 7.753256 8.871064 3.062442 2.486159 3.722511 4.161227 0.000000 6.231884 6.961015 6.753073 7.154720 8.528951 2.744812 4.057972 4.642974 2.173339 3.125994 3.686271 1.090881 4.460256 5.251465 5.681889 6.027983 6.073520 7.371129 9.161215 2.534235 3.067390 2.562892 3.546313 1.766158 0.000000 7.660576 8.108820 7.616279 8.209129 9.652631 3.412894 4.129625 5.457006 2.161175 4.233720 4.229135 1.090606 5.308978 5.332659 6.380801 6.416009 5.794765 8.555945 10.333708 2.480681 2.498919 3.813230 4.894851 1.764322 1.761855 0.000000 4.653153 4.110502 4.282455 3.147570 5.475462 2.765799 4.242554 2.774671 3.866381 2.158775 3.072286 5.123594 1.089344 4.984963 3.823250 4.877240 6.360895 3.176552 6.719811 3.797965 4.267913 3.061756 2.495107 5.537456 5.173475 5.949132 0.000000 6.006432 5.770686 5.852866 4.900366 7.203160 2.747954 4.648668 3.952086 3.210061 2.173408 3.653594 4.509359 1.090891 5.696259 5.140378 5.979125 6.907888 4.752664 8.399294 2.669136 3.684616 2.526437 3.070153 5.221135 4.566180 5.095005 1.767564 0.000000 4.994151 5.020639 5.585905 4.130125 6.408140 3.412357 5.445311 4.022772 4.277302 2.159967 4.195309 5.286951 1.091062 6.368037 5.206073 6.336131 7.751192 3.571682 7.573916 3.896998 4.985816 2.484867 2.493238 5.918201 5.017942 6.039486 1.765783 1.762241 0.000000 5.236261 4.228208 2.618086 4.961465 4.752109 5.106933 3.362205 3.350846 5.998288 5.961610 3.759723 6.542530 6.467574 2.172955 2.164427 1.079630 2.758219 6.324285 5.099566 6.909347 5.725024 6.890287 5.682103 5.902089 7.038951 7.391881 5.797053 6.988329 7.296621 0.000000 7.041661 6.551192 5.072210 7.263814 7.350437 5.395540 3.146293 4.717397 5.648919 6.659761 4.284634 5.764817 7.486795 2.143173 4.094902 2.805226 1.090670 8.487932 7.591105 6.689536 5.132680 7.316563 6.641212 4.888497 6.497669 6.318060 7.125562 7.758566 8.460368 2.783811 0.000000 7.557757 7.084798 5.700059 7.487717 8.121333 4.657092 2.488896 4.678730 4.535314 6.070863 3.823675 4.760247 6.824037 2.136175 4.475369 3.403090 1.086818 8.575611 8.610408 5.498542 3.797554 6.624733 6.338381 4.044390 5.681228 5.122940 6.595957 6.864645 7.872066 3.807022 1.770139 0.000000 7.521262 6.650901 5.090671 7.015542 7.414985 5.377364 3.129682 4.704694 5.614219 6.663405 4.268636 6.137729 7.163499 2.141746 4.103402 2.827377 1.090835 8.258524 7.906584 6.517454 4.886453 7.427922 6.819677 5.490487 6.988201 6.637409 6.670625 7.282958 8.195279 2.830432 1.755068 1.769555 0.000000 3.658564 2.993892 4.393085 2.080918 3.266479 6.297056 7.257275 4.918305 7.681806 5.412196 6.089331 8.570115 4.868700 7.418347 5.184112 6.513517 8.861649 1.090953 4.416809 7.797845 8.189320 6.169505 4.773419 8.720908 8.319660 9.572783 4.258358 5.795767 4.510625 6.965236 9.277385 9.496523 9.093257 0.000000 2.938334 2.847936 4.120965 2.082186 3.892546 4.792992 6.109088 3.841231 6.135261 3.749498 4.829605 6.948336 3.369123 6.527154 4.495401 5.875540 8.020446 1.090216 5.003275 6.210560 6.768223 4.427390 3.096046 7.184230 6.624156 7.935876 3.013442 4.389440 2.981087 6.556273 8.482330 8.506434 8.409873 1.777112 0.000000 4.366268 3.500870 4.450176 2.020926 4.225825 5.347719 6.477385 4.342595 6.622854 4.488352 5.300243 7.721780 3.560468 6.814048 4.859440 6.141615 8.244855 1.087033 5.569417 6.596372 7.053852 5.289361 4.183541 8.011611 7.589267 8.639578 2.857560 4.324395 3.275181 6.751205 8.845399 8.756644 8.420562 1.774383 1.777523 0.000000 3.716227 2.983807 3.023348 4.318973 2.082447 7.304409 6.724114 5.106828 8.629897 7.318511 6.282244 9.057169 7.693745 6.041141 4.194175 4.715030 7.001163 5.341756 1.091253 9.359382 8.843559 8.197135 6.474517 8.558820 9.047523 10.112577 6.992607 8.629540 7.986471 4.384746 6.802206 7.968829 7.214690 5.278234 5.664114 6.226069 0.000000 2.912184 2.862766 3.738414 4.157449 2.082163 7.421970 7.369458 5.423536 8.805432 7.106602 6.654432 9.169725 7.470937 6.967641 4.886742 5.748471 8.116227 4.751167 1.090709 9.417583 9.220888 7.865808 6.128567 8.799109 8.953793 10.256476 6.902801 8.505324 7.532187 5.693450 7.984359 8.982112 8.467471 4.474207 4.898336 5.773725 1.776708 0.000000 4.334053 3.510518 4.096147 4.445607 2.022676 8.352884 8.073589 6.169340 9.756020 8.124519 7.456421 10.306335 8.248655 7.491136 5.418442 6.142227 8.539727 5.171829 1.087294 10.356430 10.030026 9.004647 7.255873 9.933211 10.219453 11.381499 7.495090 9.216204 8.353644 5.868183 8.443983 9.504201 8.671687 4.760490 5.659992 6.032455 1.772927 1.778456 0.000000 C11H20N3O3PS C1 1 C1 1 C1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 285.1747609999998 AuxInfo=1/0/N:9;10;11;12;13;14;15;16;17;18;19;6;7;8;3;4;5;2;1;20;21;22;23;24;25;26;27;28;29;30;31;32;33;34;35;36;37;38;39/rA:39nS0P0O0O0O0N0N0N0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:-2.0836,-.7694,1.7479;-2.3308,-.0047,.0144;-1.4135,1.281,-.3955;-2.1669,-.9338,-1.2651;-3.7618,.6486,-.2619;2.481,-1.0574,.0264;2.6196,1.231,-.2005;.5302,.1135,-.2182;3.9261,-1.1498,.0789;1.7052,-2.2736,.1837;1.8647,.13,-.1346;4.4814,-.9933,1.4865;1.3118,-2.8981,-1.1465;1.9924,2.3876,-.3475;-.063,1.2702,-.3367;.6064,2.4799,-.4143;2.8385,3.6197,-.4297;-2.4651,-2.3224,-1.2112;-4.4262,1.4104,.7369;4.2078,-2.1225,-.3313;4.3565,-.394,-.5754;2.3114,-2.9733,.763;.8144,-2.0634,.7757;4.2571,-.0019,1.8776;4.059,-1.7327,2.1683;5.5645,-1.1207,1.4879;.6704,-2.2216,-1.7102;2.187,-3.1284,-1.7556;.7655,-3.8286,-.9844;.0888,3.4216,-.5181;2.5718,4.3273,.3562;3.8908,3.3669,-.3302;2.6896,4.1277,-1.3835;-3.5399,-2.4918,-1.1326;-1.9652,-2.8028,-.3698;-2.1039,-2.7538,-2.1413;-3.9143,2.3567,.9195;-4.4975,.8579,1.6747;-5.4253,1.6165,.3606; 0.4695288 0.2226447 0.1755299 -88.80700 -77.20626 -19.17855 -19.16422 -19.16178 -14.33608 -14.30249 -14.29732 -10.28168 -10.27029 -10.23290 -10.23065 -10.22606 -10.20130 -10.20052 -10.16804 -10.16796 -10.15929 -10.15836 -7.89589 -6.68737 -5.86015 -5.85261 -5.85222 -4.84970 -4.84913 -4.84762 -1.12494 -1.07730 -1.05639 -1.01350 -0.93965 -0.89654 -0.80491 -0.77739 -0.77020 -0.74047 -0.72792 -0.71939 -0.70895 -0.66973 -0.65768 -0.64229 -0.58882 -0.58481 -0.55913 -0.54146 -0.52551 -0.50855 -0.49007 -0.48571 -0.47907 -0.47308 -0.47053 -0.46535 -0.46102 -0.44756 -0.44067 -0.43646 -0.42364 -0.41985 -0.40734 -0.39969 -0.39339 -0.38461 -0.37991 -0.37864 -0.37168 -0.36354 -0.35235 -0.34785 -0.34363 -0.33712 -0.32257 -0.31478 -0.30141 -0.29193 -0.26229 -0.25303 -0.24395 -0.21573 -0.02566 -0.00908 -0.00209 0.00539 0.00945 0.01383 0.01867 0.02203 0.02789 0.03117 0.03560 0.03944 0.04021 0.04403 0.04832 0.05560 0.05709 0.05841 0.06412 0.06730 0.07118 0.07243 0.07623 0.07871 0.08170 0.08717 0.08983 0.09435 0.09545 0.10004 0.10286 0.10494 0.10627 0.11279 0.11613 0.11826 0.11937 0.12536 0.12842 0.13218 0.13644 0.13926 0.14541 0.15168 0.15443 0.15867 0.16091 0.16559 0.16918 0.17041 0.17299 0.17770 0.18038 0.18318 0.18441 0.18725 0.18926 0.19292 0.19537 0.19954 0.20369 0.20764 0.20993 0.21318 0.21556 0.21876 0.22664 0.22913 0.22951 0.23444 0.23596 0.24236 0.24319 0.24466 0.25005 0.25733 0.25798 0.26203 0.26610 0.27048 0.27491 0.27767 0.28024 0.28162 0.28585 0.28974 0.29741 0.30370 0.30428 0.30969 0.31474 0.31818 0.31864 0.32416 0.32706 0.32870 0.33772 0.34272 0.34346 0.34647 0.35152 0.35346 0.36051 0.36171 0.37145 0.37698 0.37924 0.38426 0.38979 0.39501 0.39913 0.40457 0.41162 0.41516 0.42514 0.43086 0.43698 0.44246 0.44622 0.45070 0.45396 0.46312 0.47126 0.47703 0.47805 0.49019 0.49608 0.50399 0.51364 0.52460 0.53140 0.53590 0.53921 0.55374 0.56192 0.56744 0.57210 0.58097 0.58490 0.59047 0.59913 0.60587 0.61069 0.61274 0.61739 0.62798 0.63998 0.64336 0.64715 0.65435 0.66387 0.66842 0.67111 0.67671 0.68361 0.68857 0.69127 0.69454 0.69562 0.70389 0.70793 0.71523 0.72643 0.72949 0.73231 0.73910 0.74795 0.75000 0.75724 0.77084 0.77471 0.78282 0.78748 0.79853 0.80312 0.81974 0.83860 0.84303 0.84997 0.85715 0.86779 0.88247 0.88438 0.90582 0.90909 0.92269 0.93123 0.94085 0.94318 0.95173 0.95669 0.96411 0.96614 0.97476 0.98571 0.99368 1.00746 1.01039 1.01926 1.02918 1.03703 1.04125 1.05730 1.06406 1.07651 1.08690 1.09322 1.09874 1.10509 1.12370 1.13603 1.15017 1.15714 1.16249 1.19145 1.19676 1.21189 1.21579 1.23400 1.26645 1.27764 1.29511 1.30450 1.31358 1.32006 1.33869 1.35396 1.36337 1.36906 1.37333 1.38701 1.39390 1.40892 1.41678 1.42877 1.44507 1.45255 1.45719 1.46227 1.47508 1.47923 1.48679 1.51131 1.51828 1.53521 1.54275 1.54757 1.55523 1.55693 1.56524 1.56755 1.57007 1.57375 1.58136 1.59344 1.60271 1.60771 1.61878 1.62813 1.63359 1.64368 1.65099 1.65703 1.66184 1.67191 1.67686 1.68017 1.68825 1.69350 1.69762 1.70446 1.71761 1.72408 1.72633 1.73723 1.73883 1.75295 1.76564 1.77321 1.77629 1.78790 1.79426 1.80519 1.81387 1.82045 1.84055 1.84886 1.85442 1.86478 1.88141 1.88982 1.90034 1.91839 1.95065 1.95927 1.96786 1.97774 1.98282 1.98965 2.02682 2.03181 2.04450 2.05365 2.06158 2.06682 2.07966 2.10837 2.11386 2.11904 2.13243 2.14521 2.15559 2.17405 2.18077 2.18440 2.20898 2.21970 2.24138 2.26750 2.27935 2.30838 2.32823 2.34645 2.35900 2.37680 2.38881 2.41069 2.42753 2.43486 2.43932 2.45221 2.46613 2.48220 2.48955 2.49249 2.49421 2.49752 2.51216 2.51632 2.53357 2.53775 2.54076 2.54867 2.55546 2.56833 2.57210 2.58496 2.59203 2.59703 2.62142 2.62804 2.63599 2.64418 2.64836 2.66794 2.67462 2.67616 2.69527 2.70623 2.71716 2.73225 2.74027 2.75732 2.77130 2.78480 2.79292 2.79957 2.80461 2.81375 2.82413 2.83691 2.87370 2.87932 2.89490 2.90493 2.90788 2.91020 2.91889 2.94532 2.97121 2.97197 2.98848 3.00147 3.01382 3.02040 3.02805 3.03028 3.06013 3.06616 3.10880 3.13451 3.14107 3.16299 3.17697 3.17962 3.25424 3.30045 3.32897 3.34321 3.40965 3.43216 3.47550 3.52219 3.55593 3.64647 3.67648 3.74049 3.77935 3.78497 3.79404 3.79423 3.80895 3.81049 3.81499 3.82203 3.83625 3.84361 3.85818 3.88678 3.89814 3.93252 3.98145 3.99565 4.00983 4.01830 4.04140 4.04414 4.20300 4.26386 4.27019 4.32587 4.47662 4.58825 4.84931 4.94441 5.03147 5.03499 5.05919 5.08872 5.12643 5.18992 5.26927 5.35292 5.48878 5.55126 5.74705 7.26401 8.00952 13.97702 14.01963 14.04686 17.39043 17.42668 17.51083 23.77639 23.88129 23.91391 23.91981 23.93148 23.94435 23.96190 23.99470 24.01721 24.02542 24.13858 35.58949 35.73326 35.76875 49.89537 49.90640 49.96138 163.38431 189.21485 1-A. 0.3032 -0.2740 -0.7552 0.8587 -119.1748 -114.4537 -135.2048 -3.5853 -0.0172 4.0947 3.7696 8.4907 -12.2604 -3.5853 -0.0172 4.0947 -60.2755 11.5746 -13.0612 -9.1085 3.0506 6.4564 -2.1141 -1.3055 -10.9018 -19.0476 -5198.6614 -2395.6468 -798.6246 -152.8723 -41.8416 36.5877 10.8292 22.1593 9.2585 -1240.5288 -1083.2704 -547.1398 53.7056 16.0359 0.0835 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 285.1747609999998 AuxInfo=1/0/N:9;10;11;12;13;14;15;16;17;18;19;6;7;8;3;4;5;2;1;20;21;22;23;24;25;26;27;28;29;30;31;32;33;34;35;36;37;38;39/rA:39nS0P0O0O0O0N0N0N0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:2.2858,-1.0441,-1.6825;2.3982,-.0033,-.0548;1.396,1.29,.1041;2.1908,-.7368,1.3497;3.791,.7576,.2004;-2.4471,-1.2479,.0186;-2.6742,1.065,.091;-.5205,.0186,.08;-3.9015,-1.4032,.0557;-1.6163,-2.4499,-.1012;-1.8741,-.0172,.0639;-4.5365,-1.3474,-1.3355;-1.1289,-2.9656,1.2547;-2.0771,2.2628,.1244;.026,1.2091,.095;-.6898,2.4043,.1186;-2.9879,3.459,.1606;2.5394,-2.1199,1.5604;4.3792,1.5995,-.8117;-4.1129,-2.3627,.5368;-4.3177,-.6184,.6871;-2.2195,-3.2092,-.6061;-.7636,-2.2268,-.7433;-4.3511,-.3721,-1.7897;-4.1217,-2.1199,-1.9892;-5.6179,-1.5001,-1.2701;-.504,-2.2105,1.735;-1.97,-3.1947,1.9153;-.5376,-3.8773,1.1265;-.1921,3.3623,.1373;-2.429,4.3958,.1799;-3.643,3.4528,-.7145;-3.6294,3.4091,1.0445;3.6244,-2.244,1.5464;2.0801,-2.7485,.796;2.1466,-2.3744,2.5428;3.763,2.4888,-.9641;4.4866,1.0505,-1.7499;5.3571,1.8863,-.4298; 0.000000 1.935329 0.000000 3.071144 1.643878 0.000000 3.049209 1.597991 2.508207 0.000000 3.009507 1.607458 2.455416 2.472800 0.000000 5.033401 5.003124 4.606217 4.852093 6.555060 0.000000 5.674100 5.185752 4.076416 5.338440 6.473469 2.325168 0.000000 3.480075 2.921922 2.300007 3.087714 4.376074 2.306369 2.394482 0.000000 6.436867 6.454362 5.942990 6.263775 7.991575 1.463203 2.756719 3.667868 0.000000 4.438810 4.701511 4.806519 4.419650 6.294254 1.466069 3.675699 2.706816 2.518467 0.000000 4.626991 4.273992 3.521922 4.323700 5.719503 1.358248 1.346179 1.354159 2.455874 2.451834 0.000000 6.837881 7.178979 6.650048 7.269095 8.725724 2.491816 3.364967 4.471890 1.530230 3.356620 3.288780 0.000000 4.896898 4.788593 5.080249 3.999604 6.259326 2.493213 4.470781 3.264271 3.400931 1.530318 3.265901 4.575963 0.000000 5.765032 5.019543 3.606807 5.358526 6.058598 3.531723 1.338779 2.731574 4.095431 4.740545 2.289869 4.605844 5.432553 0.000000 3.652797 2.668239 1.372351 3.169673 3.793434 3.486958 2.704092 1.310060 4.717125 4.015448 2.261728 5.422095 4.484051 2.352535 0.000000 4.897898 3.919456 2.364783 4.436158 4.774528 4.054158 2.394201 2.391984 4.981531 4.946657 2.696153 5.566584 5.506238 1.394517 1.393343 0.000000 7.175420 6.406553 4.891422 6.770322 7.297481 4.739958 2.415415 4.234476 4.948332 6.071616 3.651569 5.266671 6.777001 1.503885 3.761668 2.528933 0.000000 3.426055 2.666185 3.880123 1.441806 3.419883 5.291749 6.283662 4.015945 6.653097 4.487691 5.112700 7.684510 3.776942 6.525494 4.421121 5.742312 7.977098 0.000000 3.482725 2.658261 3.135969 3.862579 1.442003 7.442796 7.131008 5.225109 8.850946 7.269699 6.518016 9.404742 7.446471 6.557463 4.463707 5.216123 7.660112 4.779724 0.000000 6.899833 6.950683 6.624016 6.560592 8.504232 2.070379 3.744046 4.334134 1.094004 2.578356 3.276761 2.171508 3.127843 5.070491 5.484888 5.883586 5.941290 6.735035 9.467540 0.000000 7.028698 6.784737 6.052133 6.543225 8.239061 2.083869 2.427018 3.897845 1.089810 3.357595 2.592505 2.161010 3.999991 3.693020 4.749596 4.756216 4.320957 7.073716 9.099582 1.762672 0.000000 5.113154 5.648511 5.815442 5.421155 7.246567 2.070931 4.354513 3.711607 2.555173 1.093379 3.279768 3.060507 2.170610 5.522404 5.005557 5.863138 6.755950 5.341162 8.167601 2.368067 3.575879 0.000000 3.402842 3.926190 4.213033 3.915223 5.526419 2.091154 3.896503 2.403866 3.341211 1.090547 2.601345 3.919089 2.161378 4.757614 3.623750 4.711157 6.171926 4.028422 6.410415 3.588247 4.155120 1.761779 0.000000 6.671729 6.978531 6.275239 7.265358 8.457643 2.768059 2.900790 4.280409 2.161130 3.827229 3.114058 1.091719 5.135865 3.972152 5.021165 4.975488 4.509923 7.858579 9.003485 3.071054 2.489188 3.740795 4.171968 0.000000 6.504471 7.122662 6.815794 7.273882 8.699803 2.756101 4.070213 4.671569 2.178018 3.154522 3.699778 1.093703 4.493915 5.277916 5.712314 6.057190 6.085342 7.547892 9.353451 2.537613 3.074955 2.591887 3.583442 1.774037 0.000000 7.927583 8.244749 7.672532 8.271745 9.787117 3.431989 4.134952 5.487486 2.170965 4.275720 4.241988 1.094053 5.354787 5.351759 6.407604 6.438847 5.792752 8.656671 10.476639 2.504775 2.509662 3.861481 4.936637 1.773942 1.771944 0.000000 4.563171 4.061754 4.303842 3.095502 5.441652 2.765517 4.259253 2.776344 3.874908 2.160029 3.078957 5.141360 1.091450 5.007874 3.829351 4.893152 6.386789 3.049785 6.696856 3.805679 4.263467 3.069371 2.491897 5.531995 5.192834 5.973873 0.000000 5.973343 5.757365 5.892564 4.865477 7.193754 2.759588 4.687111 3.974230 3.224716 2.178534 3.678734 4.535118 1.093732 5.744807 5.166303 6.017883 6.956013 4.649272 8.410309 2.680485 3.695628 2.533806 3.075829 5.231040 4.585912 5.130919 1.774863 0.000000 4.887703 5.002310 5.611212 4.166192 6.409170 3.433292 5.483076 4.034086 4.310922 2.169844 4.220864 5.334132 1.094238 6.409022 5.220495 6.363765 7.794758 3.570057 7.611078 3.927434 5.010261 2.505422 2.504337 5.944189 5.063788 6.099543 1.774749 1.771956 0.000000 5.372863 4.251311 2.611017 4.893941 4.759621 5.133466 3.382344 3.360264 6.039516 5.988846 3.775655 6.574496 6.493691 2.182241 2.164616 1.079732 2.797560 6.288120 4.990472 6.950375 5.759242 6.917181 5.686787 5.912387 7.072363 7.420397 5.805659 7.022520 7.315060 0.000000 7.435778 6.535253 4.927728 7.003938 7.206006 5.646068 3.341016 4.776271 5.984327 6.899537 4.449350 6.302608 7.552230 2.162583 4.023668 2.644816 1.091087 8.309374 7.426604 6.974298 5.382134 7.648430 6.890956 5.505203 7.072867 6.858082 7.054622 7.799905 8.539270 2.464507 0.000000 7.503940 6.991109 5.544258 7.473032 7.960265 4.905471 2.699757 4.708984 4.923403 6.270962 3.971865 4.921952 7.168923 2.138176 4.376201 3.242657 1.093172 8.628521 8.234038 5.967072 4.358230 6.813199 6.367816 4.035742 5.736618 5.360918 6.922818 7.341887 8.170854 3.555585 1.778497 0.000000 7.890356 7.013234 5.534404 7.152398 7.925054 4.913095 2.704896 4.700166 4.920374 6.300285 3.972768 5.395551 6.850828 2.137821 4.370831 3.241669 1.093285 8.300042 8.417743 5.814268 4.101562 6.965265 6.570636 4.780328 6.325850 5.780309 6.467244 6.864583 7.915729 3.555327 1.778248 1.759611 0.000000 3.695588 3.014653 4.419884 2.089420 3.293770 6.339499 7.262252 4.944707 7.718093 5.497398 6.114728 8.701136 4.816601 7.405449 5.194101 6.500562 8.841219 1.092150 4.572039 7.803838 8.152201 6.302094 4.949471 8.845480 8.515784 9.690537 4.132855 5.686539 4.490727 6.926911 9.088409 9.506834 9.210222 0.000000 3.015048 2.891631 4.154118 2.089482 3.946493 4.832366 6.135459 3.864326 6.175619 3.815409 4.861260 7.091288 3.248896 6.545774 4.513703 5.889197 8.038770 1.091078 5.174612 6.210476 6.744007 4.545892 3.275407 7.327629 6.827567 8.067663 2.801572 4.225515 2.869851 6.552796 8.470787 8.572729 8.401052 1.789529 0.000000 4.431921 3.525975 4.465202 2.026569 4.242594 5.361216 6.409433 4.348021 6.611289 4.599508 5.278936 7.794869 3.568998 6.722468 4.830063 6.062747 8.128089 1.088193 5.659427 6.573160 6.950885 5.447554 4.391979 8.062259 7.739255 8.694288 2.775846 4.244161 3.386753 6.645692 8.506207 8.836559 8.310021 1.787065 1.787626 0.000000 3.896126 2.983290 2.860263 4.269658 2.086629 7.313941 6.676702 5.053780 8.656373 7.353380 6.254134 9.150808 7.655351 5.945007 4.089545 4.583342 6.912400 5.395357 1.092551 9.371257 8.813609 8.269620 6.540300 8.643286 9.190273 10.198375 6.897520 8.570880 7.962046 4.197500 6.579266 7.472652 7.715545 5.359225 5.775811 6.209754 0.000000 3.039020 2.888853 3.612057 4.251232 2.091287 7.515735 7.393696 5.429985 8.924233 7.226108 6.699912 9.345549 7.529354 6.932921 4.829668 5.667396 8.082039 4.980059 1.092287 9.530557 9.286596 8.026595 6.270437 8.951629 9.176775 10.432516 6.905434 8.552379 7.602696 5.549429 7.920935 8.540100 8.901798 4.739521 5.167788 5.969302 1.791592 0.000000 4.425988 3.530733 4.041193 4.480249 2.030698 8.421949 8.089985 6.188263 9.837613 8.218173 7.493837 10.448030 8.273237 7.464361 5.399477 6.093789 8.512431 5.286696 1.088322 10.424485 10.056014 9.132395 7.380932 10.059824 10.408188 11.516282 7.471434 9.219624 8.389839 5.770110 8.203266 9.139853 9.233124 4.895588 5.807133 6.107058 1.785962 1.788570 0.000000 C11H20N3O3PS C1 1 C1 1 C1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 285.1747609999998 AuxInfo=1/0/N:9;10;11;12;13;14;15;16;17;18;19;6;7;8;3;4;5;2;1;20;21;22;23;24;25;26;27;28;29;30;31;32;33;34;35;36;37;38;39/rA:39nS0P0O0O0O0N0N0N0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:-2.2158,-.9362,1.7345;-2.375,-.0292,.0323;-1.4317,1.2916,-.2287;-2.1352,-.8581,-1.3127;-3.8005,.647,-.2754;2.5211,-1.0584,.037;2.6445,1.25,-.213;.5398,.1125,-.1142;3.9811,-1.151,.0067;1.745,-2.2835,.2513;1.8937,.1384,-.1003;4.6132,-.9606,1.3872;1.281,-2.9227,-1.0594;1.9944,2.4139,-.3358;-.0595,1.2728,-.2183;.6022,2.4934,-.3358;2.8508,3.6432,-.4666;-2.4216,-2.2674,-1.4157;-4.4256,1.5369,.6716;4.2351,-2.1341,-.4004;4.3616,-.3991,-.6844;2.3817,-2.9743,.8107;.8832,-2.0502,.8776;4.3844,.0374,1.7661;4.2335,-1.6985,2.0996;5.7003,-1.0694,1.3298;.6228,-2.2353,-1.5937;2.1313,-3.164,-1.7036;.7311,-3.8475,-.8597;.0621,3.424,-.4259;2.2505,4.55,-.5554;3.5056,3.7333,.4041;3.4937,3.5545,-1.3464;-3.4999,-2.4384,-1.3884;-1.9345,-2.8146,-.6071;-2.0179,-2.5786,-2.3772;-3.8498,2.4619,.7532;-4.5082,1.0571,1.6493;-5.4154,1.7496,.2723; 0.4638098 0.2175214 0.1712225 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= 570 570 570 570 570 MxSgAt= 39 MxSgA2= 39. 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= 554 RedAO= T EigKep= 1.27D-06 NBF= 554 NBsUse= 554 1.00D-06 EigRej= -1.00D+00 NBFU= 554 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= 570 570 570 570 570 MxSgAt= 39 MxSgA2= 39. 1 1.19281883e-01 -1.07787813e-01 -2.97137106e-01 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 16 15 8 8 8 7 7 7 6 6 6 6 6 6 6 6 6 6 6 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 -0.001593704 -0.007040659 -0.013248477 0.000514246 0.002528907 0.004491104 0.010786181 0.005140419 0.001023713 -0.003284372 0.004712229 0.003850063 0.003081740 -0.002356321 0.006273916 -0.001370565 -0.002722834 -0.000300418 -0.012383388 0.000299732 -0.000641299 0.007539131 -0.008520708 0.000664849 -0.007240031 -0.001967421 0.003065452 0.003352690 -0.006269239 -0.003563646 -0.000848979 -0.001181257 0.000206523 -0.001814925 0.000220763 -0.003863861 0.002027352 -0.001700476 0.003804918 -0.000059252 0.007408181 0.000121822 -0.007717320 0.005517073 0.000196867 0.002688075 0.004650928 0.000401421 -0.003068979 0.003362475 -0.000072043 0.002733463 -0.012254683 0.003153335 0.007492507 0.007552029 -0.007758828 0.000115410 -0.001441284 0.000573142 0.000297273 0.001308368 0.000395440 -0.000875644 -0.000743475 -0.000594087 0.000516650 0.001165080 -0.000095593 0.000919221 0.001966003 -0.000229832 0.001358675 -0.001556549 -0.000688040 -0.002455351 -0.000367434 0.000309700 0.000801611 0.001664097 0.000196978 -0.002079909 -0.000095246 0.000665292 0.001296372 -0.001919138 -0.000385559 0.001073351 -0.000071674 0.000013194 0.000816475 0.001283003 -0.001750211 -0.001549184 -0.001057513 -0.000168412 0.000520082 0.001106779 0.002015042 0.001866032 0.001107513 -0.000308120 -0.001278640 0.000356181 -0.001019853 -0.000986146 0.000537733 0.001430260 -0.002110876 0.001095037 0.000721147 -0.000116466 -0.001537465 -0.000374852 0.001037191 -0.000179153 0.001488953 0.013248477 0.003669993 (Enter /usr/local/gaussian/gaussian16/g16/l716.exe) Closed 1 1 1 -1561.09611610848 -1561.09611665832 -0.000000549836 -1561.09611665780 0.000000000518 -1561.09611666476 -0.000000006959 -1561.09611666500 -0.000000000238 -1561.09611666503 -0.000000000030 -1561.09611666499 0.000000000038 -1561.09611666500 -0.000000000006 -1561.09611666502 -0.000000000020 -1561.09611667 9 1.556619684039e+03 -7.460911979362e+03 2.450773839416e+03 Using DIIS extrapolation, IDIIS= 1040. NGot= 4246732800 LenX= 4246055918 LenY= 4245727016 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) PT279206S Mon Feb 5 13:50:32 2024 Mulliken charges: 1 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 S P O O O N N N C C C C C C C C C C C H H H H H H H H H H H H H H H H H H H H -0.173727 0.114621 -0.087934 -0.092943 -0.003647 0.127258 -0.098884 -0.050991 -0.167608 -0.164160 -0.650714 -0.376152 -0.404475 0.092937 0.229660 -0.287686 -0.398668 -0.361898 -0.381318 0.144177 0.174741 0.144888 0.182889 0.152480 0.131025 0.136023 0.155265 0.132915 0.139088 0.122724 0.161447 0.156986 0.162472 0.169983 0.182405 0.163853 0.165736 0.192396 0.164834 -0.00000 -88.80756 -77.20882 -19.17864 -19.16424 -19.16126 -14.33812 -14.30710 -14.29960 -10.28588 -10.27487 -10.23595 -10.23352 -10.22970 -10.20402 -10.20288 -10.17264 -10.17157 -10.16162 -10.16055 -7.89555 -6.68870 -5.86003 -5.85227 -5.85187 -4.85125 -4.85059 -4.84886 -1.11568 -1.06838 -1.04845 -1.00645 -0.93357 -0.89314 -0.80183 -0.77426 -0.76649 -0.73828 -0.72751 -0.71430 -0.70802 -0.66738 -0.65494 -0.64042 -0.58691 -0.58190 -0.55512 -0.53758 -0.52216 -0.50554 -0.48614 -0.48300 -0.47737 -0.47090 -0.46815 -0.46271 -0.45876 -0.44631 -0.43969 -0.43405 -0.42178 -0.41950 -0.40657 -0.40044 -0.39505 -0.38320 -0.37913 -0.37767 -0.37191 -0.36509 -0.35383 -0.34905 -0.34392 -0.33559 -0.32490 -0.31550 -0.29948 -0.29204 -0.26188 -0.25002 -0.24223 -0.21692 -0.03086 -0.00833 -0.00260 0.00424 0.00894 0.01299 0.01487 0.02014 0.02740 0.03054 0.03486 0.03805 0.03944 0.04185 0.04786 0.05430 0.05603 0.05681 0.06227 0.06535 0.07013 0.07252 0.07404 0.07763 0.07943 0.08601 0.08706 0.09092 0.09509 0.09803 0.10128 0.10378 0.10678 0.11273 0.11755 0.11894 0.11974 0.12397 0.12610 0.12725 0.13295 0.13793 0.14212 0.14826 0.15333 0.15550 0.15851 0.16118 0.16650 0.16803 0.17136 0.17397 0.17750 0.18064 0.18600 0.18838 0.19144 0.19223 0.19382 0.19645 0.19844 0.20659 0.21004 0.21166 0.21535 0.21782 0.22231 0.22603 0.22872 0.23357 0.23687 0.23860 0.24081 0.24667 0.25110 0.25193 0.25444 0.25839 0.26467 0.26791 0.26879 0.27561 0.27847 0.28319 0.28530 0.28946 0.29311 0.29636 0.30274 0.30559 0.30990 0.31484 0.31730 0.32238 0.32373 0.32667 0.33287 0.33887 0.34051 0.34301 0.34645 0.35176 0.35892 0.36085 0.36634 0.37033 0.37547 0.37931 0.38376 0.38690 0.39964 0.40321 0.40545 0.41054 0.41905 0.42696 0.43029 0.43599 0.44192 0.44873 0.45324 0.45725 0.46681 0.47314 0.47867 0.48633 0.49322 0.50082 0.50447 0.52711 0.53044 0.53461 0.53965 0.54345 0.55720 0.56364 0.56953 0.57709 0.58460 0.59655 0.60114 0.60829 0.61084 0.61374 0.62331 0.62750 0.63142 0.63482 0.63935 0.65064 0.65337 0.66418 0.66462 0.67358 0.68134 0.68542 0.68917 0.68997 0.69372 0.69994 0.70334 0.71354 0.72013 0.72676 0.73322 0.73551 0.74311 0.75011 0.75256 0.75480 0.76555 0.77631 0.78472 0.79497 0.80126 0.81843 0.82986 0.84526 0.84848 0.85847 0.86424 0.87502 0.88135 0.90419 0.90525 0.91716 0.92201 0.93215 0.94103 0.94195 0.94734 0.95573 0.96006 0.97888 0.98303 0.98992 0.99978 1.00772 1.01825 1.02336 1.02682 1.03268 1.04139 1.06498 1.07135 1.08264 1.09945 1.10444 1.11313 1.11965 1.14090 1.14474 1.15211 1.17025 1.18792 1.20347 1.21599 1.22279 1.23298 1.25476 1.26787 1.28933 1.30253 1.31018 1.32008 1.33722 1.34882 1.35184 1.36249 1.36782 1.38063 1.39018 1.40295 1.40673 1.42231 1.43687 1.44476 1.45330 1.45850 1.46932 1.47170 1.48653 1.51068 1.51884 1.52304 1.53604 1.53784 1.54835 1.55256 1.56161 1.56483 1.56813 1.57386 1.57862 1.58307 1.59080 1.60106 1.60410 1.61805 1.62154 1.63687 1.64079 1.65140 1.65498 1.67206 1.67455 1.68149 1.68802 1.69592 1.70172 1.71258 1.71883 1.72525 1.72655 1.73516 1.74996 1.75265 1.75821 1.76938 1.77319 1.78548 1.79028 1.80701 1.81056 1.82666 1.83382 1.84030 1.84520 1.85578 1.86987 1.87786 1.88959 1.90414 1.92317 1.94148 1.95218 1.96321 1.96915 1.97468 2.00772 2.01596 2.01981 2.03928 2.05870 2.06901 2.07025 2.10357 2.11437 2.12254 2.13281 2.14889 2.15640 2.16929 2.17278 2.19449 2.20027 2.23236 2.24091 2.26156 2.27551 2.28713 2.29706 2.32860 2.35875 2.36656 2.37910 2.39511 2.41409 2.43001 2.43672 2.44153 2.46439 2.46567 2.48125 2.48742 2.48809 2.49285 2.50224 2.51235 2.51773 2.52227 2.53055 2.54531 2.55240 2.56406 2.57182 2.57680 2.58390 2.59479 2.61333 2.62073 2.62579 2.63473 2.64025 2.64602 2.66700 2.66857 2.67719 2.69695 2.70994 2.72309 2.73183 2.74822 2.76264 2.77038 2.77833 2.78346 2.78851 2.80181 2.80747 2.82603 2.85812 2.87272 2.87965 2.88267 2.89821 2.89921 2.92014 2.93513 2.95343 2.96585 2.98351 2.98864 3.00253 3.01470 3.01752 3.02801 3.03828 3.04096 3.09182 3.10865 3.11756 3.13603 3.14904 3.16342 3.26866 3.28259 3.30352 3.32928 3.40292 3.41566 3.45247 3.49853 3.53053 3.63110 3.66362 3.73382 3.77673 3.78029 3.78394 3.79190 3.79509 3.80336 3.80672 3.81566 3.82979 3.83067 3.83490 3.85014 3.88966 3.92025 3.97202 3.98500 3.99209 4.00521 4.02444 4.02702 4.19305 4.24120 4.25045 4.32956 4.45795 4.58450 4.81580 4.91011 5.02330 5.03809 5.05829 5.08509 5.12006 5.18278 5.24595 5.32625 5.45720 5.51652 5.72556 7.24646 7.99855 13.97069 14.00561 14.03811 17.38861 17.41730 17.50733 23.75689 23.86392 23.90254 23.90502 23.90988 23.91426 23.93527 23.98329 23.99885 24.01154 24.11193 35.57541 35.70552 35.74275 49.89031 49.90299 49.95307 163.36470 189.20014 1-A. Mulliken charges: 1 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 S P O O O N N N C C C C C C C C C C C H H H H H H H H H H H H H H H H H H H H -0.164259 0.062925 -0.081234 -0.101564 -0.001271 0.107128 -0.112437 -0.054158 -0.154226 -0.161918 -0.640812 -0.387473 -0.420065 0.198247 0.051203 -0.228983 -0.323978 -0.343191 -0.378692 0.144955 0.173254 0.146077 0.182984 0.152777 0.131564 0.136397 0.153312 0.133347 0.140055 0.121459 0.141443 0.159423 0.159647 0.173425 0.184879 0.164866 0.171720 0.194238 0.168937 -0.00000 2.01231214e-01 -2.35738142e-02 -4.42575084e-01 ./ancestor::cml:module[@dictRef='cc:finalization']/cml:molecule[@id='mol9999'] 0.5115 -0.0599 -1.1249 1.2372 -119.5011 -114.5959 -134.8666 -5.0382 1.1456 5.0269 3.4868 8.3920 -11.8788 -5.0382 1.1456 5.0269 -55.6336 12.8256 -14.4554 -9.4364 9.7029 1.4819 -2.0890 -3.5260 -12.2595 -21.1122 -5358.8619 -2443.2253 -788.2528 -178.7270 -29.9975 20.8934 10.5384 25.1026 16.1167 -1260.5631 -1100.8307 -555.7627 61.2518 21.2227 4.2294 (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A) (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A) (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A) (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(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 -1561.0961167 1.126E-9 3.083E-6 2.2583,5.9140399,-8.1723399,3.6519208,0.7802901,-4.8134526 C01 [X(C11H20N3O3P1S1)] -0.2015652 0.0013657 0.4430486 -0.000001210 -0.000003789 -0.000000862 0.000002301 -0.000000699 0.000000773 0.000001314 0.000004092 0.000002076 0.000000821 -0.000002671 0.000000077 -0.000002035 0.000001598 -0.000001956 -0.000002443 -0.000005920 -0.000006141 0.000002469 -0.000012168 -0.000000902 0.000009705 -0.000003435 -0.000001079 0.000004169 0.000000325 -0.000000706 -0.000002074 0.000004000 0.000003131 -0.000011511 0.000015469 0.000005646 0.000000492 -0.000000927 0.000002457 0.000000544 0.000000940 0.000000702 0.000007228 0.000008166 0.000000382 -0.000004751 -0.000001588 0.000000989 -0.000002841 -0.000000448 -0.000003369 -0.000001722 -0.000003022 -0.000002962 -0.000000343 0.000000720 0.000001335 -0.000000090 -0.000001216 0.000000712 -0.000001677 0.000000783 0.000002683 -0.000000047 0.000000978 -0.000000848 -0.000000346 -0.000000560 0.000001041 -0.000000374 -0.000001213 -0.000000600 -0.000000021 0.000000448 -0.000000649 -0.000000438 0.000000353 -0.000000082 -0.000000204 0.000000299 0.000000173 -0.000000437 0.000000011 0.000000534 -0.000000781 0.000000523 0.000000814 -0.000000755 0.000000357 0.000000608 0.000001308 -0.000000511 -0.000001789 0.000001331 0.000000531 -0.000000335 0.000001513 0.000000638 -0.000000853 0.000001432 0.000001593 -0.000001036 -0.000000566 0.000000418 0.000000712 -0.000000632 0.000000004 0.000000349 -0.000000421 0.000000744 0.000000242 0.000000846 -0.000000823 0.000001427 -0.000000660 -0.000001231 -0.000001053 0.000000907 -0.000002773 -0.000001640 285.1747609999998 AuxInfo=1/0/N:9;10;11;12;13;14;15;16;17;18;19;6;7;8;3;4;5;2;1;20;21;22;23;24;25;26;27;28;29;30;31;32;33;34;35;36;37;38;39/rA:39nS0P0O0O0O0N0N0N0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:2.2858,-1.0441,-1.6825;2.3982,-.0033,-.0548;1.396,1.29,.1041;2.1908,-.7368,1.3497;3.791,.7576,.2004;-2.4471,-1.2479,.0186;-2.6742,1.065,.091;-.5205,.0186,.08;-3.9015,-1.4032,.0557;-1.6163,-2.4499,-.1012;-1.8741,-.0172,.0639;-4.5365,-1.3474,-1.3355;-1.1289,-2.9656,1.2547;-2.0771,2.2628,.1244;.026,1.2091,.095;-.6898,2.4043,.1186;-2.9879,3.459,.1606;2.5394,-2.1199,1.5604;4.3792,1.5995,-.8117;-4.1129,-2.3627,.5368;-4.3177,-.6184,.6871;-2.2195,-3.2092,-.6061;-.7636,-2.2268,-.7433;-4.3511,-.3721,-1.7897;-4.1217,-2.1199,-1.9892;-5.6179,-1.5001,-1.2701;-.504,-2.2105,1.735;-1.97,-3.1947,1.9153;-.5376,-3.8773,1.1265;-.1921,3.3623,.1373;-2.429,4.3958,.1799;-3.643,3.4528,-.7145;-3.6294,3.4091,1.0445;3.6244,-2.244,1.5464;2.0801,-2.7485,.796;2.1466,-2.3744,2.5428;3.763,2.4888,-.9641;4.4866,1.0505,-1.7499;5.3571,1.8863,-.4298; Gaussian 16 GINC-BELVIS14 APULGAR Optimization Pirimiphos-methyl CONF1 gas EM64L-G16RevC.01 111 C1[X(C11H20N3O3PS)] 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 0 0 0 0 0 0 285.1747609999998 AuxInfo=1/0/N:9;10;11;12;13;14;15;16;17;18;19;6;7;8;3;4;5;2;1;20;21;22;23;24;25;26;27;28;29;30;31;32;33;34;35;36;37;38;39/rA:39nS0P0O0O0O0N0N0N0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:2.2858,-1.0441,-1.6825;2.3982,-.0033,-.0548;1.396,1.29,.1041;2.1908,-.7368,1.3497;3.791,.7576,.2004;-2.4471,-1.2479,.0186;-2.6742,1.065,.091;-.5205,.0186,.08;-3.9015,-1.4032,.0557;-1.6163,-2.4499,-.1012;-1.8741,-.0172,.0639;-4.5365,-1.3474,-1.3355;-1.1289,-2.9656,1.2547;-2.0771,2.2628,.1244;.026,1.2091,.095;-.6898,2.4043,.1186;-2.9879,3.459,.1606;2.5394,-2.1199,1.5604;4.3792,1.5995,-.8117;-4.1129,-2.3627,.5368;-4.3177,-.6184,.6871;-2.2195,-3.2092,-.6061;-.7636,-2.2268,-.7433;-4.3511,-.3721,-1.7897;-4.1217,-2.1199,-1.9892;-5.6179,-1.5001,-1.2701;-.504,-2.2105,1.735;-1.97,-3.1947,1.9153;-.5376,-3.8773,1.1265;-.1921,3.3623,.1373;-2.429,4.3958,.1799;-3.643,3.4528,-.7145;-3.6294,3.4091,1.0445;3.6244,-2.244,1.5464;2.0801,-2.7485,.796;2.1466,-2.3744,2.5428;3.763,2.4888,-.9641;4.4866,1.0505,-1.7499;5.3571,1.8863,-.4298; Optimization Pirimiphos-methyl CONF1 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 34 35 36 37 38 39 32 31 16 16 16 14 14 14 12 12 12 12 12 12 12 12 12 12 12 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 31.9720718 30.9737634 15.9949146 15.9949146 15.9949146 14.0030740 14.0030740 14.0030740 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 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 1 0 0 0 2 2 2 0 0 0 0 0 0 0 0 0 0 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 13.6000000 12.9400000 5.6000000 5.6000000 5.6000000 4.5500000 4.5500000 4.5500000 3.6000000 3.6000000 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/G1_new/Pirimiphos-methyl/gaussian/gas/CONF1/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 R33 R34 R35 R36 R37 R38 R39 1 2 2 2 3 4 5 6 6 6 7 7 8 8 9 9 9 10 10 10 12 12 12 13 13 13 14 14 15 16 17 17 17 18 18 18 19 19 19 2 3 4 5 15 18 19 9 10 11 11 14 11 15 12 20 21 13 22 23 24 25 26 27 28 29 16 17 16 30 31 32 33 34 35 36 37 38 39 1.9353 1.6439 1.598 1.6075 1.3724 1.4418 1.442 1.4632 1.4661 1.3582 1.3462 1.3388 1.3542 1.3101 1.5302 1.094 1.0898 1.5303 1.0934 1.0905 1.0917 1.0937 1.0941 1.0914 1.0937 1.0942 1.3945 1.5039 1.3933 1.0797 1.0911 1.0932 1.0933 1.0922 1.0911 1.0882 1.0926 1.0923 1.0883 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 A1 A2 A3 A4 A5 A6 A7 A8 A9 A10 A11 A12 A13 A14 A15 A16 A17 A18 A19 A20 A21 A22 A23 A24 A25 A26 A27 A28 A29 A30 A31 A32 A33 A34 A35 A36 A37 A38 A39 A40 A41 A42 A43 A44 A45 A46 A47 A48 A49 A50 A51 A52 A53 A54 A55 A56 A57 A58 A59 A60 A61 A62 A63 A64 A65 A66 A67 A68 1 1 1 3 3 4 2 2 2 9 9 10 11 11 6 6 6 12 12 20 6 6 6 13 13 22 6 6 7 9 9 9 24 24 25 10 10 10 27 27 28 7 7 16 3 3 8 14 14 15 14 14 14 31 31 32 4 4 4 34 34 35 5 5 5 37 37 38 2 2 2 2 2 2 3 4 5 6 6 6 7 8 9 9 9 9 9 9 10 10 10 10 10 10 11 11 11 12 12 12 12 12 12 13 13 13 13 13 13 14 14 14 15 15 15 16 16 16 17 17 17 17 17 17 18 18 18 18 18 18 19 19 19 19 19 19 3 4 5 4 5 5 15 18 19 10 11 11 14 15 12 20 21 20 21 21 13 22 23 22 23 23 7 8 8 24 25 26 25 26 26 27 28 29 28 29 29 16 17 17 8 16 16 15 30 30 31 32 33 32 33 33 34 35 36 35 36 36 37 38 39 38 39 39 117.9683 118.9992 116.0021 101.3637 98.0799 100.9657 124.165 122.5043 121.222 118.579 120.9722 120.433 117.046 116.1806 112.6787 107.2365 108.536 110.5814 109.9987 107.6372 112.607 107.1233 108.8717 110.5411 109.9782 107.55 118.5794 116.4894 124.9312 109.8957 111.118 110.5354 108.5364 108.5024 108.1796 109.8186 111.1512 110.4292 108.6281 108.5809 108.1651 122.2995 116.2381 121.4614 118.0422 117.5267 124.4264 115.0978 123.2623 121.6387 111.9108 109.8246 109.7898 109.0232 108.9925 107.1776 110.3284 110.3998 105.6031 110.1038 110.0946 110.2269 110.0639 110.4575 105.9006 110.1718 109.9537 110.2127 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 D1 D2 D3 D4 D5 D6 D7 D8 D9 D10 D11 D12 D13 D14 D15 D16 D17 D18 D19 D20 D21 D22 D23 D24 D25 D26 D27 D28 D29 D30 D31 D32 D33 D34 D35 D36 D37 D38 D39 D40 D41 D42 D43 D44 D45 D46 D47 D48 D49 D50 D51 D52 D53 D54 D55 D56 D57 D58 D59 D60 D61 D62 D63 D64 D65 D66 D67 D68 D69 D70 D71 D72 D73 1 4 5 1 3 5 1 3 4 2 2 2 2 2 2 2 2 10 10 10 11 11 11 9 9 9 11 11 11 9 9 10 10 14 14 11 11 15 15 11 11 6 6 6 20 20 20 21 21 21 6 6 6 22 22 22 23 23 23 7 7 17 17 7 7 7 16 16 16 3 3 8 8 2 2 2 2 2 2 2 2 2 3 3 4 4 4 5 5 5 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 7 7 7 7 8 8 8 8 9 9 9 9 9 9 9 9 9 10 10 10 10 10 10 10 10 10 14 14 14 14 14 14 14 14 14 14 15 15 15 15 3 3 3 4 4 4 5 5 5 15 15 18 18 18 19 19 19 9 9 9 9 9 9 10 10 10 10 10 10 11 11 11 11 11 11 14 14 11 11 15 15 12 12 12 12 12 12 12 12 12 13 13 13 13 13 13 13 13 13 16 16 16 16 17 17 17 17 17 17 16 16 16 16 15 15 15 18 18 18 19 19 19 8 16 34 35 36 37 38 39 12 20 21 12 20 21 13 22 23 13 22 23 7 8 7 8 6 8 16 17 6 7 3 16 24 25 26 24 25 26 24 25 26 27 28 29 27 28 29 27 28 29 15 30 15 30 31 32 33 31 32 33 14 30 14 30 60.6078 -71.1974 -174.1709 29.897 161.0697 -98.2709 51.363 -75.2409 -178.5509 6.4254 -174.3249 69.6729 -52.2552 -171.3886 67.8098 -54.0657 -173.3866 -90.4488 31.4591 147.4749 88.1141 -149.978 -33.9622 -95.2688 26.4669 142.4916 86.1603 -152.104 -36.0793 -2.5715 177.3475 175.9648 -4.1161 -179.4676 0.6208 0.6193 -179.7352 178.6019 -1.4848 -179.6466 1.1601 -62.1459 58.0001 178.1213 177.857 -61.9969 58.1243 59.1012 179.2473 -60.6315 -61.9036 58.3278 178.3822 178.3199 -61.4486 58.6057 59.7097 179.9412 -60.0045 -0.8819 179.4948 179.4908 -0.1325 -179.6193 -58.39 59.2143 0.0294 121.2587 -121.137 -179.2559 0.3741 -0.0588 179.5713 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|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. 0.00039 0.00093 0.00164 0.00236 0.00269 0.00274 0.00297 0.00373 0.00448 0.00539 0.00591 0.01340 0.01604 0.01806 0.02351 0.02409 0.02733 0.02835 0.04265 0.04365 0.04418 0.04433 0.04508 0.04520 0.04571 0.04893 0.05064 0.05377 0.05500 0.05729 0.08286 0.08448 0.08496 0.08500 0.08513 0.08593 0.10502 0.10728 0.11737 0.12063 0.12191 0.12269 0.12360 0.12425 0.12515 0.12847 0.13345 0.13393 0.14099 0.14159 0.14608 0.15217 0.15504 0.16103 0.16365 0.17026 0.18233 0.18475 0.18747 0.18992 0.19345 0.19461 0.20124 0.20919 0.21479 0.21674 0.21981 0.22807 0.23721 0.25697 0.26447 0.27881 0.28404 0.28595 0.29076 0.31026 0.31979 0.32681 0.33064 0.33136 0.33180 0.33204 0.33232 0.33298 0.33363 0.33399 0.33445 0.33589 0.33640 0.33768 0.34144 0.34187 0.34238 0.34302 0.34368 0.34573 0.35351 0.35712 0.35961 0.36534 0.36752 0.38549 0.38726 0.41044 0.42022 0.42518 0.47402 0.49909 0.53554 0.57955 0.62860 Angle between quadratic step and forces= 68.75 degrees. 1 2 0.00051123 0.00000034 0.00000033 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 R33 R34 R35 R36 R37 R38 R39 A1 A2 A3 A4 A5 A6 A7 A8 A9 A10 A11 A12 A13 A14 A15 A16 A17 A18 A19 A20 A21 A22 A23 A24 A25 A26 A27 A28 A29 A30 A31 A32 A33 A34 A35 A36 A37 A38 A39 A40 A41 A42 A43 A44 A45 A46 A47 A48 A49 A50 A51 A52 A53 A54 A55 A56 A57 A58 A59 A60 A61 A62 A63 A64 A65 A66 A67 A68 D1 D2 D3 D4 D5 D6 D7 D8 D9 D10 D11 D12 D13 D14 D15 D16 D17 D18 D19 D20 D21 D22 D23 D24 D25 D26 D27 D28 D29 D30 D31 D32 D33 D34 D35 D36 D37 D38 D39 D40 D41 D42 D43 D44 D45 D46 D47 D48 D49 D50 D51 D52 D53 D54 D55 D56 D57 D58 D59 D60 D61 D62 D63 D64 D65 D66 D67 D68 D69 D70 D71 D72 D73 3.65724 3.10648 3.01977 3.03766 2.59337 2.72462 2.72499 2.76505 2.77047 2.56672 2.54391 2.52993 2.55899 2.47565 2.89172 2.06737 2.05944 2.89188 2.06619 2.06083 2.06305 2.06680 2.06746 2.06254 2.06685 2.06781 2.63526 2.84193 2.63304 2.04040 2.06186 2.06580 2.06601 2.06386 2.06184 2.05639 2.06462 2.06412 2.05663 2.05894 2.07693 2.02462 1.76913 1.71182 1.76218 2.16709 2.13810 2.11572 2.06959 2.11136 2.10195 2.04284 2.02773 1.96661 1.87163 1.89431 1.93001 1.91984 1.87862 1.96536 1.86965 1.90017 1.92931 1.91948 1.87710 2.06960 2.03312 2.18046 1.91804 1.93938 1.92921 1.89432 1.89372 1.88809 1.91670 1.93995 1.92735 1.89592 1.89509 1.88784 2.13453 2.02874 2.11990 2.06023 2.05123 2.17165 2.00884 2.15133 2.12300 1.95321 1.91680 1.91619 1.90281 1.90228 1.87060 1.92559 1.92684 1.84312 1.92167 1.92151 1.92382 1.92098 1.92785 1.84831 1.92286 1.91905 1.92357 1.05781 -1.24263 -3.03986 0.52180 2.81120 -1.71515 0.89645 -1.31320 -3.11630 0.11215 -3.04254 1.21602 -0.91203 -2.99130 1.18351 -0.94362 -3.02617 -1.57863 0.54906 2.57392 1.53788 -2.61761 -0.59275 -1.66275 0.46193 2.48695 1.50378 -2.65472 -0.62970 -0.04488 3.09530 3.07117 -0.07184 -3.13230 0.01084 0.01081 -3.13697 3.11719 -0.02592 -3.13542 0.02025 -1.08465 1.01229 3.10880 3.10419 -1.08205 1.01446 1.03151 3.12846 -1.05822 -1.08042 1.01801 3.11336 3.11227 -1.07248 1.02286 1.04213 3.14057 -1.04728 -0.01539 3.13277 3.13271 -0.00231 -3.13495 -1.01910 1.03348 0.00051 2.11636 -2.11424 -3.12861 0.00653 -0.00103 3.13411 0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00001 0.00001 0.00001 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 -0.00001 0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 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 -0.00001 -0.00001 -0.00002 -0.00001 0.00001 -0.00003 0.00002 0.00003 -0.00001 -0.00000 0.00001 -0.00001 0.00000 0.00000 0.00001 0.00001 -0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00002 -0.00001 0.00000 0.00000 0.00000 0.00000 -0.00001 -0.00000 0.00000 -0.00000 -0.00000 0.00001 -0.00000 0.00000 -0.00002 0.00001 0.00001 0.00001 -0.00000 -0.00004 0.00001 0.00004 -0.00001 0.00001 -0.00000 0.00000 -0.00002 -0.00000 0.00003 -0.00001 0.00001 -0.00001 -0.00001 0.00003 -0.00001 0.00001 -0.00002 0.00000 -0.00001 0.00003 -0.00003 0.00001 0.00000 0.00002 0.00000 -0.00002 -0.00000 -0.00001 0.00001 -0.00000 -0.00002 0.00001 0.00000 -0.00000 -0.00001 -0.00001 0.00001 -0.00001 -0.00000 0.00001 -0.00000 0.00001 -0.00001 -0.00001 -0.00000 0.00001 -0.00002 0.00000 0.00001 -0.00001 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00006 0.00003 0.00002 0.00002 0.00002 -0.00003 -0.00026 -0.00024 -0.00025 0.00015 0.00015 0.00016 0.00030 0.00028 0.00027 0.00032 0.00033 0.00012 0.00012 0.00012 0.00127 0.00127 0.00128 0.00028 0.00031 0.00031 0.00037 0.00041 0.00041 -0.00012 -0.00014 -0.00015 -0.00022 -0.00023 -0.00025 -0.00010 -0.00007 -0.00001 0.00003 0.00009 0.00005 -0.00001 -0.00006 -0.00008 -0.00004 0.00000 -0.00001 -0.00002 -0.00003 -0.00002 -0.00006 -0.00007 -0.00006 -0.00005 -0.00006 -0.00005 -0.00003 -0.00001 -0.00003 -0.00002 -0.00000 -0.00002 0.00001 0.00002 0.00001 -0.00004 -0.00003 0.00002 0.00003 -0.00048 -0.00051 -0.00049 -0.00053 -0.00056 -0.00054 0.00004 0.00003 0.00005 0.00004 0.00001 0.00001 -0.00000 -0.00001 0.00001 -0.00001 -0.00001 -0.00002 -0.00001 0.00001 -0.00003 0.00002 0.00003 -0.00001 -0.00000 0.00001 -0.00001 0.00000 0.00000 0.00001 0.00001 -0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00002 -0.00001 0.00000 0.00000 0.00000 0.00000 -0.00001 -0.00000 0.00000 -0.00000 -0.00000 0.00001 -0.00000 0.00000 -0.00002 0.00001 0.00001 0.00001 -0.00000 -0.00004 0.00001 0.00004 -0.00001 0.00001 -0.00000 0.00000 -0.00002 -0.00000 0.00003 -0.00001 0.00001 -0.00001 -0.00001 0.00003 -0.00001 0.00001 -0.00002 0.00000 -0.00001 0.00003 -0.00003 0.00001 0.00000 0.00002 0.00000 -0.00002 -0.00000 -0.00001 0.00001 -0.00000 -0.00002 0.00001 0.00000 -0.00000 -0.00001 -0.00001 0.00001 -0.00001 -0.00000 0.00001 -0.00000 0.00001 -0.00001 -0.00001 -0.00000 0.00001 -0.00002 0.00000 0.00001 -0.00001 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00006 0.00003 0.00002 0.00002 0.00002 -0.00003 -0.00026 -0.00024 -0.00025 0.00015 0.00015 0.00016 0.00030 0.00028 0.00027 0.00032 0.00033 0.00012 0.00012 0.00012 0.00127 0.00127 0.00128 0.00028 0.00031 0.00031 0.00037 0.00041 0.00041 -0.00012 -0.00014 -0.00015 -0.00022 -0.00023 -0.00025 -0.00010 -0.00007 -0.00001 0.00003 0.00009 0.00005 -0.00001 -0.00006 -0.00008 -0.00004 0.00000 -0.00001 -0.00002 -0.00003 -0.00002 -0.00006 -0.00007 -0.00006 -0.00005 -0.00006 -0.00005 -0.00003 -0.00001 -0.00003 -0.00002 -0.00000 -0.00002 0.00001 0.00002 0.00001 -0.00004 -0.00003 0.00002 0.00003 -0.00048 -0.00051 -0.00049 -0.00053 -0.00056 -0.00054 0.00004 0.00003 0.00005 0.00004 3.65726 3.10649 3.01976 3.03765 2.59338 2.72461 2.72498 2.76504 2.77046 2.56673 2.54388 2.52995 2.55902 2.47564 2.89171 2.06738 2.05944 2.89188 2.06619 2.06084 2.06306 2.06680 2.06746 2.06254 2.06685 2.06781 2.63524 2.84192 2.63304 2.04040 2.06186 2.06580 2.06600 2.06386 2.06184 2.05638 2.06462 2.06413 2.05663 2.05894 2.07691 2.02463 1.76914 1.71182 1.76218 2.16704 2.13811 2.11576 2.06959 2.11138 2.10195 2.04284 2.02772 1.96661 1.87166 1.89430 1.93002 1.91983 1.87862 1.96539 1.86964 1.90018 1.92929 1.91948 1.87709 2.06963 2.03309 2.18047 1.91804 1.93939 1.92921 1.89430 1.89372 1.88808 1.91671 1.93995 1.92734 1.89593 1.89509 1.88784 2.13452 2.02873 2.11991 2.06022 2.05123 2.17166 2.00884 2.15134 2.12299 1.95320 1.91680 1.91621 1.90280 1.90228 1.87061 1.92558 1.92684 1.84312 1.92168 1.92152 1.92382 1.92092 1.92787 1.84834 1.92288 1.91907 1.92354 1.05754 -1.24287 -3.04010 0.52195 2.81134 -1.71500 0.89675 -1.31292 -3.11603 0.11247 -3.04221 1.21614 -0.91190 -2.99117 1.18478 -0.94236 -3.02489 -1.57835 0.54938 2.57424 1.53826 -2.61720 -0.59235 -1.66288 0.46180 2.48679 1.50356 -2.65495 -0.62995 -0.04498 3.09523 3.07116 -0.07181 -3.13221 0.01089 0.01080 -3.13703 3.11711 -0.02596 -3.13542 0.02024 -1.08467 1.01227 3.10878 3.10413 -1.08212 1.01440 1.03146 3.12840 -1.05827 -1.08045 1.01800 3.11333 3.11225 -1.07248 1.02284 1.04214 3.14059 -1.04727 -0.01543 3.13275 3.13272 -0.00229 -3.13543 -1.01960 1.03300 -0.00002 2.11581 -2.11478 -3.12857 0.00656 -0.00098 3.13415 |Maximum Force|RMS Force|Maximum Displacement|RMS Displacement| 0.000009 0.000002 0.003075 0.000511 0.000450 0.000300 0.001800 0.001200 YES YES NO YES -1.127144e-08 6-311+G(d,p) (5D, 7F) 0.10000e-02 0.10000e-05 F 573 A 554 A 554 872 573 81 81 1892.4631338406 39 39 39 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 -0.0407945984 0.000000 1.935329 0.000000 3.071144 1.643878 0.000000 3.049209 1.597991 2.508207 0.000000 3.009507 1.607458 2.455416 2.472800 0.000000 5.033401 5.003124 4.606217 4.852093 6.555060 0.000000 5.674100 5.185752 4.076416 5.338440 6.473469 2.325168 0.000000 3.480075 2.921922 2.300007 3.087714 4.376074 2.306369 2.394482 0.000000 6.436867 6.454362 5.942990 6.263775 7.991575 1.463203 2.756719 3.667868 0.000000 4.438810 4.701511 4.806519 4.419650 6.294254 1.466069 3.675699 2.706816 2.518467 0.000000 4.626991 4.273992 3.521922 4.323700 5.719503 1.358248 1.346179 1.354159 2.455874 2.451834 0.000000 6.837881 7.178979 6.650048 7.269095 8.725724 2.491816 3.364967 4.471890 1.530230 3.356620 3.288780 0.000000 4.896898 4.788593 5.080249 3.999604 6.259326 2.493213 4.470781 3.264271 3.400931 1.530318 3.265901 4.575963 0.000000 5.765032 5.019543 3.606807 5.358526 6.058598 3.531723 1.338779 2.731574 4.095431 4.740545 2.289869 4.605844 5.432553 0.000000 3.652797 2.668239 1.372351 3.169673 3.793434 3.486958 2.704092 1.310060 4.717125 4.015448 2.261728 5.422095 4.484051 2.352535 0.000000 4.897898 3.919456 2.364783 4.436158 4.774528 4.054158 2.394201 2.391984 4.981531 4.946657 2.696153 5.566584 5.506238 1.394517 1.393343 0.000000 7.175420 6.406553 4.891422 6.770322 7.297481 4.739958 2.415415 4.234476 4.948332 6.071616 3.651569 5.266671 6.777001 1.503885 3.761668 2.528933 0.000000 3.426055 2.666185 3.880123 1.441806 3.419883 5.291749 6.283662 4.015945 6.653097 4.487691 5.112700 7.684510 3.776942 6.525494 4.421121 5.742312 7.977098 0.000000 3.482725 2.658261 3.135969 3.862579 1.442003 7.442796 7.131008 5.225109 8.850946 7.269699 6.518016 9.404742 7.446471 6.557463 4.463707 5.216123 7.660112 4.779724 0.000000 6.899833 6.950683 6.624016 6.560592 8.504232 2.070379 3.744046 4.334134 1.094004 2.578356 3.276761 2.171508 3.127843 5.070491 5.484888 5.883586 5.941290 6.735035 9.467540 0.000000 7.028698 6.784737 6.052133 6.543225 8.239061 2.083869 2.427018 3.897845 1.089810 3.357595 2.592505 2.161010 3.999991 3.693020 4.749596 4.756216 4.320957 7.073716 9.099582 1.762672 0.000000 5.113154 5.648511 5.815442 5.421155 7.246567 2.070931 4.354513 3.711607 2.555173 1.093379 3.279768 3.060507 2.170610 5.522404 5.005557 5.863138 6.755950 5.341162 8.167601 2.368067 3.575879 0.000000 3.402842 3.926190 4.213033 3.915223 5.526419 2.091154 3.896503 2.403866 3.341211 1.090547 2.601345 3.919089 2.161378 4.757614 3.623750 4.711157 6.171926 4.028422 6.410415 3.588247 4.155120 1.761779 0.000000 6.671729 6.978531 6.275239 7.265358 8.457643 2.768059 2.900790 4.280409 2.161130 3.827229 3.114058 1.091719 5.135865 3.972152 5.021165 4.975488 4.509923 7.858579 9.003485 3.071054 2.489188 3.740795 4.171968 0.000000 6.504471 7.122662 6.815794 7.273882 8.699803 2.756101 4.070213 4.671569 2.178018 3.154522 3.699778 1.093703 4.493915 5.277916 5.712314 6.057190 6.085342 7.547892 9.353451 2.537613 3.074955 2.591887 3.583442 1.774037 0.000000 7.927583 8.244749 7.672532 8.271745 9.787117 3.431989 4.134952 5.487486 2.170965 4.275720 4.241988 1.094053 5.354787 5.351759 6.407604 6.438847 5.792752 8.656671 10.476639 2.504775 2.509662 3.861481 4.936637 1.773942 1.771944 0.000000 4.563171 4.061754 4.303842 3.095502 5.441652 2.765517 4.259253 2.776344 3.874908 2.160029 3.078957 5.141360 1.091450 5.007874 3.829351 4.893152 6.386789 3.049785 6.696856 3.805679 4.263467 3.069371 2.491897 5.531995 5.192834 5.973873 0.000000 5.973343 5.757365 5.892564 4.865477 7.193754 2.759588 4.687111 3.974230 3.224716 2.178534 3.678734 4.535118 1.093732 5.744807 5.166303 6.017883 6.956013 4.649272 8.410309 2.680485 3.695628 2.533806 3.075829 5.231040 4.585912 5.130919 1.774863 0.000000 4.887703 5.002310 5.611212 4.166192 6.409170 3.433292 5.483076 4.034086 4.310922 2.169844 4.220864 5.334132 1.094238 6.409022 5.220495 6.363765 7.794758 3.570057 7.611078 3.927434 5.010261 2.505422 2.504337 5.944189 5.063788 6.099543 1.774749 1.771956 0.000000 5.372863 4.251311 2.611017 4.893941 4.759621 5.133466 3.382344 3.360264 6.039516 5.988846 3.775655 6.574496 6.493691 2.182241 2.164616 1.079732 2.797560 6.288120 4.990472 6.950375 5.759242 6.917181 5.686787 5.912387 7.072363 7.420397 5.805659 7.022520 7.315060 0.000000 7.435778 6.535253 4.927728 7.003938 7.206006 5.646068 3.341016 4.776271 5.984327 6.899537 4.449350 6.302608 7.552230 2.162583 4.023668 2.644816 1.091087 8.309374 7.426604 6.974298 5.382134 7.648430 6.890956 5.505203 7.072867 6.858082 7.054622 7.799905 8.539270 2.464507 0.000000 7.503940 6.991109 5.544258 7.473032 7.960265 4.905471 2.699757 4.708984 4.923403 6.270962 3.971865 4.921952 7.168923 2.138176 4.376201 3.242657 1.093172 8.628521 8.234038 5.967072 4.358230 6.813199 6.367816 4.035742 5.736618 5.360918 6.922818 7.341887 8.170854 3.555585 1.778497 0.000000 7.890356 7.013234 5.534404 7.152398 7.925054 4.913095 2.704896 4.700166 4.920374 6.300285 3.972768 5.395551 6.850828 2.137821 4.370831 3.241669 1.093285 8.300042 8.417743 5.814268 4.101562 6.965265 6.570636 4.780328 6.325850 5.780309 6.467244 6.864583 7.915729 3.555327 1.778248 1.759611 0.000000 3.695588 3.014653 4.419884 2.089420 3.293770 6.339499 7.262252 4.944707 7.718093 5.497398 6.114728 8.701136 4.816601 7.405449 5.194101 6.500562 8.841219 1.092150 4.572039 7.803838 8.152201 6.302094 4.949471 8.845480 8.515784 9.690537 4.132855 5.686539 4.490727 6.926911 9.088409 9.506834 9.210222 0.000000 3.015048 2.891631 4.154118 2.089482 3.946493 4.832366 6.135459 3.864326 6.175619 3.815409 4.861260 7.091288 3.248896 6.545774 4.513703 5.889197 8.038770 1.091078 5.174612 6.210476 6.744007 4.545892 3.275407 7.327629 6.827567 8.067663 2.801572 4.225515 2.869851 6.552796 8.470787 8.572729 8.401052 1.789529 0.000000 4.431921 3.525975 4.465202 2.026569 4.242594 5.361216 6.409433 4.348021 6.611289 4.599508 5.278936 7.794869 3.568998 6.722468 4.830063 6.062747 8.128089 1.088193 5.659427 6.573160 6.950885 5.447554 4.391979 8.062259 7.739255 8.694288 2.775846 4.244161 3.386753 6.645692 8.506207 8.836559 8.310021 1.787065 1.787626 0.000000 3.896126 2.983290 2.860263 4.269658 2.086629 7.313941 6.676702 5.053780 8.656373 7.353380 6.254134 9.150808 7.655351 5.945007 4.089545 4.583342 6.912400 5.395357 1.092551 9.371257 8.813609 8.269620 6.540300 8.643286 9.190273 10.198375 6.897520 8.570880 7.962046 4.197500 6.579266 7.472652 7.715545 5.359225 5.775811 6.209754 0.000000 3.039020 2.888853 3.612057 4.251232 2.091287 7.515735 7.393696 5.429985 8.924233 7.226108 6.699912 9.345549 7.529354 6.932921 4.829668 5.667396 8.082039 4.980059 1.092287 9.530557 9.286596 8.026595 6.270437 8.951629 9.176775 10.432516 6.905434 8.552379 7.602696 5.549429 7.920935 8.540100 8.901798 4.739521 5.167788 5.969302 1.791592 0.000000 4.425988 3.530733 4.041193 4.480249 2.030698 8.421949 8.089985 6.188263 9.837613 8.218173 7.493837 10.448030 8.273237 7.464361 5.399477 6.093789 8.512431 5.286696 1.088322 10.424485 10.056014 9.132395 7.380932 10.059824 10.408188 11.516282 7.471434 9.219624 8.389839 5.770110 8.203266 9.139853 9.233124 4.895588 5.807133 6.107058 1.785962 1.788570 0.000000 C11H20N3O3PS C1 1 C1 1 C1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 285.1747609999998 AuxInfo=1/0/N:9;10;11;12;13;14;15;16;17;18;19;6;7;8;3;4;5;2;1;20;21;22;23;24;25;26;27;28;29;30;31;32;33;34;35;36;37;38;39/rA:39nS0P0O0O0O0N0N0N0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:-2.2158,-.9362,1.7345;-2.375,-.0292,.0323;-1.4317,1.2916,-.2287;-2.1352,-.8581,-1.3127;-3.8005,.647,-.2754;2.5211,-1.0584,.037;2.6445,1.25,-.213;.5398,.1125,-.1142;3.9811,-1.151,.0067;1.745,-2.2835,.2513;1.8937,.1384,-.1003;4.6132,-.9606,1.3872;1.281,-2.9227,-1.0594;1.9944,2.4139,-.3358;-.0595,1.2728,-.2183;.6022,2.4934,-.3358;2.8508,3.6432,-.4666;-2.4216,-2.2674,-1.4157;-4.4256,1.5369,.6716;4.2351,-2.1341,-.4004;4.3616,-.3991,-.6844;2.3817,-2.9743,.8107;.8832,-2.0502,.8776;4.3844,.0374,1.7661;4.2335,-1.6985,2.0996;5.7003,-1.0694,1.3298;.6228,-2.2353,-1.5937;2.1313,-3.164,-1.7036;.7311,-3.8475,-.8597;.0621,3.424,-.4259;2.2505,4.55,-.5554;3.5056,3.7333,.4041;3.4937,3.5545,-1.3464;-3.4999,-2.4384,-1.3884;-1.9345,-2.8146,-.6071;-2.0179,-2.5786,-2.3772;-3.8498,2.4619,.7532;-4.5082,1.0571,1.6493;-5.4154,1.7496,.2723; 0.4638098 0.2175214 0.1712225 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= 554 RedAO= T EigKep= 1.27D-06 NBF= 554 NBsUse= 554 1.00D-06 EigRej= -1.00D+00 NBFU= 554 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= 570 570 570 570 570 MxSgAt= 39 MxSgA2= 39. 1 Closed 1 1 1 -1561.09611666505 -1561.09611667 1 1.556619683845e+03 -7.460911979412e+03 2.450773839660e+03 Using DIIS extrapolation, IDIIS= 1040. NGot= 4246732800 LenX= 4246055918 LenY= 4245727016 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= 39. Will process 40 centers per pass. Symmetrizing basis deriv contribution to polar: IMax=3 JMax=2 DiffMx= 0.00D+00 Minotr: Closed shell wavefunction. IDoAtm=111111111111111111111111111111111111111 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. 12078 words used for storage of precomputed grid. Two-electron integrals replicated using symmetry. MDV= 4246732800 using IRadAn= 1. Solving linear equations simultaneously, MaxMat= 384. FoF2E skips out because all densities are zero. CalDSu exits because no D1Ps are significant. FoFJK: IHMeth= 1 ICntrl= 0 DoSepK=F KAlg= 0 I1Cent= 0 FoldK=F IRaf= 790000000 NMat= 117 IRICut= 292 DoRegI=T DoRafI=T ISym2E= 2 IDoP0=3 IntGTp=3. FoFCou: FMM=F IPFlag= 0 FMFlag= 100000 FMFlg1= 0 NFxFlg= 0 DoJE=F BraDBF=F KetDBF=F FulRan=T wScrn= 0.000000 ICntrl= 0 IOpCl= 0 I1Cent= 0 NGrid= 0 NMat0= 117 NMatS0= 117 NMatT0= 0 NMatD0= 117 NMtDS0= 0 NMtDT0= 0 Integrals replicated using symmetry in FoFCou. Raff kept on since 78.47% of shell-pairs survive, threshold= 0.20 IRatSp=78. There are 120 degrees of freedom in the 1st order CPHF. IDoFFX=6 NUNeed= 3. 117 vectors produced by pass 0 Test12= 3.83D-14 1.00D-09 XBig12= 2.17D+02 7.36D+00. AX will form 117 AO Fock derivatives at one time. 117 vectors produced by pass 1 Test12= 3.83D-14 1.00D-09 XBig12= 5.18D+01 1.57D+00. 117 vectors produced by pass 2 Test12= 3.83D-14 1.00D-09 XBig12= 3.80D-01 8.19D-02. 117 vectors produced by pass 3 Test12= 3.83D-14 1.00D-09 XBig12= 1.69D-03 4.32D-03. 117 vectors produced by pass 4 Test12= 3.83D-14 1.00D-09 XBig12= 8.41D-06 2.41D-04. 98 vectors produced by pass 5 Test12= 3.83D-14 1.00D-09 XBig12= 1.20D-08 8.71D-06. 34 vectors produced by pass 6 Test12= 3.83D-14 1.00D-09 XBig12= 1.29D-11 4.04D-07. 3 vectors produced by pass 7 Test12= 3.83D-14 1.00D-09 XBig12= 1.54D-14 1.88D-08. InvSVY: IOpt=1 It= 1 EMax= 2.31D-14 Solved reduced A of dimension 720 with 120 vectors. FullF1: Do perturbations 1 to 3. Isotropic polarizability for W= 0.000000 211.53 Bohr**3. End of Minotr F.D. properties file 721 does not exist. 242.073 -3.020 231.092 -0.120 -5.305 161.411 317.689 -13.128 334.604 2.461 -22.364 259.523 (Enter /usr/local/gaussian/gaussian16/g16/l716.exe) PT70778.400S Mon Feb 5 14:39:57 2024 -88.80756 -77.20882 -19.17864 -19.16424 -19.16126 -14.33812 -14.30710 -14.29960 -10.28588 -10.27487 -10.23595 -10.23352 -10.22970 -10.20402 -10.20288 -10.17264 -10.17157 -10.16162 -10.16055 -7.89555 -6.68870 -5.86003 -5.85227 -5.85187 -4.85125 -4.85059 -4.84886 -1.11568 -1.06838 -1.04845 -1.00645 -0.93357 -0.89314 -0.80183 -0.77426 -0.76649 -0.73828 -0.72751 -0.71430 -0.70802 -0.66738 -0.65494 -0.64042 -0.58691 -0.58190 -0.55512 -0.53758 -0.52216 -0.50554 -0.48614 -0.48300 -0.47737 -0.47090 -0.46815 -0.46271 -0.45876 -0.44631 -0.43969 -0.43405 -0.42178 -0.41950 -0.40657 -0.40044 -0.39505 -0.38320 -0.37913 -0.37767 -0.37191 -0.36509 -0.35383 -0.34905 -0.34392 -0.33559 -0.32490 -0.31550 -0.29948 -0.29204 -0.26188 -0.25002 -0.24223 -0.21692 -0.03086 -0.00833 -0.00260 0.00424 0.00894 0.01299 0.01487 0.02014 0.02740 0.03054 0.03486 0.03805 0.03944 0.04185 0.04786 0.05430 0.05603 0.05681 0.06227 0.06535 0.07013 0.07252 0.07404 0.07763 0.07943 0.08601 0.08706 0.09092 0.09509 0.09803 0.10128 0.10378 0.10678 0.11273 0.11755 0.11894 0.11974 0.12397 0.12610 0.12725 0.13295 0.13793 0.14212 0.14826 0.15333 0.15550 0.15851 0.16118 0.16650 0.16803 0.17136 0.17397 0.17750 0.18064 0.18600 0.18838 0.19144 0.19223 0.19382 0.19645 0.19844 0.20659 0.21004 0.21166 0.21535 0.21782 0.22231 0.22603 0.22872 0.23357 0.23687 0.23860 0.24081 0.24667 0.25110 0.25193 0.25444 0.25839 0.26467 0.26791 0.26879 0.27561 0.27847 0.28319 0.28530 0.28946 0.29311 0.29636 0.30274 0.30559 0.30990 0.31484 0.31730 0.32238 0.32373 0.32667 0.33287 0.33887 0.34051 0.34301 0.34645 0.35176 0.35892 0.36085 0.36634 0.37033 0.37547 0.37931 0.38376 0.38690 0.39964 0.40321 0.40545 0.41054 0.41905 0.42696 0.43029 0.43599 0.44192 0.44873 0.45324 0.45725 0.46681 0.47314 0.47867 0.48633 0.49322 0.50082 0.50447 0.52711 0.53044 0.53461 0.53965 0.54345 0.55720 0.56364 0.56953 0.57709 0.58460 0.59655 0.60114 0.60829 0.61084 0.61374 0.62331 0.62750 0.63142 0.63482 0.63935 0.65064 0.65337 0.66418 0.66462 0.67358 0.68134 0.68542 0.68917 0.68997 0.69372 0.69994 0.70334 0.71354 0.72013 0.72676 0.73322 0.73551 0.74311 0.75011 0.75256 0.75480 0.76555 0.77631 0.78472 0.79497 0.80126 0.81843 0.82986 0.84526 0.84848 0.85847 0.86424 0.87502 0.88135 0.90419 0.90525 0.91716 0.92201 0.93215 0.94103 0.94195 0.94734 0.95573 0.96006 0.97888 0.98303 0.98992 0.99978 1.00772 1.01825 1.02336 1.02682 1.03268 1.04139 1.06498 1.07135 1.08264 1.09945 1.10444 1.11313 1.11965 1.14090 1.14474 1.15211 1.17025 1.18792 1.20347 1.21599 1.22279 1.23298 1.25476 1.26787 1.28933 1.30253 1.31018 1.32008 1.33722 1.34882 1.35184 1.36249 1.36782 1.38063 1.39018 1.40295 1.40673 1.42231 1.43687 1.44476 1.45330 1.45850 1.46932 1.47170 1.48653 1.51068 1.51884 1.52304 1.53604 1.53784 1.54835 1.55256 1.56161 1.56483 1.56813 1.57386 1.57862 1.58307 1.59080 1.60106 1.60410 1.61805 1.62154 1.63687 1.64079 1.65140 1.65498 1.67206 1.67455 1.68149 1.68802 1.69592 1.70172 1.71258 1.71883 1.72525 1.72655 1.73516 1.74996 1.75265 1.75821 1.76938 1.77319 1.78548 1.79028 1.80701 1.81056 1.82666 1.83382 1.84030 1.84520 1.85578 1.86987 1.87786 1.88959 1.90414 1.92317 1.94148 1.95218 1.96321 1.96915 1.97468 2.00772 2.01596 2.01981 2.03928 2.05870 2.06901 2.07025 2.10357 2.11437 2.12254 2.13281 2.14889 2.15640 2.16929 2.17278 2.19449 2.20027 2.23236 2.24091 2.26156 2.27551 2.28713 2.29706 2.32860 2.35875 2.36656 2.37910 2.39511 2.41409 2.43001 2.43672 2.44153 2.46439 2.46567 2.48125 2.48742 2.48809 2.49285 2.50224 2.51235 2.51773 2.52227 2.53055 2.54531 2.55240 2.56406 2.57182 2.57680 2.58390 2.59479 2.61333 2.62073 2.62579 2.63473 2.64025 2.64602 2.66700 2.66857 2.67719 2.69695 2.70994 2.72309 2.73183 2.74822 2.76264 2.77038 2.77833 2.78346 2.78851 2.80181 2.80747 2.82603 2.85812 2.87272 2.87965 2.88267 2.89821 2.89921 2.92014 2.93513 2.95343 2.96585 2.98351 2.98864 3.00253 3.01470 3.01752 3.02801 3.03828 3.04096 3.09182 3.10865 3.11756 3.13603 3.14904 3.16342 3.26866 3.28259 3.30352 3.32928 3.40292 3.41566 3.45247 3.49853 3.53053 3.63110 3.66362 3.73382 3.77673 3.78029 3.78394 3.79190 3.79509 3.80336 3.80672 3.81566 3.82979 3.83067 3.83490 3.85014 3.88966 3.92025 3.97202 3.98500 3.99209 4.00521 4.02444 4.02702 4.19305 4.24120 4.25045 4.32956 4.45795 4.58450 4.81580 4.91011 5.02330 5.03809 5.05829 5.08509 5.12006 5.18278 5.24595 5.32625 5.45720 5.51652 5.72556 7.24646 7.99855 13.97069 14.00561 14.03811 17.38861 17.41730 17.50733 23.75689 23.86392 23.90254 23.90502 23.90988 23.91426 23.93527 23.98329 23.99885 24.01154 24.11193 35.57541 35.70552 35.74275 49.89031 49.90299 49.95307 163.36470 189.20014 1-A. Mulliken charges: 1 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 S P O O O N N N C C C C C C C C C C C H H H H H H H H H H H H H H H H H H H H -0.164259 0.062925 -0.081234 -0.101564 -0.001271 0.107128 -0.112437 -0.054158 -0.154226 -0.161918 -0.640812 -0.387473 -0.420065 0.198247 0.051203 -0.228983 -0.323978 -0.343191 -0.378692 0.144955 0.173254 0.146077 0.182984 0.152777 0.131564 0.136397 0.153312 0.133347 0.140055 0.121459 0.141443 0.159423 0.159647 0.173425 0.184879 0.164866 0.171720 0.194238 0.168937 -0.00000 Mulliken charges with hydrogens summed into heavy atoms: 1 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 S P O O O N N N C C C C C C C C C C C -0.164259 0.062925 -0.081234 -0.101564 -0.001271 0.107128 -0.112437 -0.054158 0.163984 0.167142 -0.640812 0.033265 0.006649 0.198247 0.051203 -0.107524 0.136534 0.179979 0.156203 0.00000 2.01231324e-01 -2.35741269e-02 -4.42575031e-01 2.42072988e+02 -3.02048440e+00 2.31092461e+02 -1.19701326e-01 -5.30481555e+00 1.61411091e+02 -4.7757 -1.1246 -0.0024 -0.0014 0.0008 5.0805 21.3165 34.3067 38.0302 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 50 51 52 53 54 55 56 57 58 59 60 61 62 63 64 65 66 67 68 69 70 71 72 73 74 75 76 77 78 79 80 81 82 83 84 85 86 87 88 89 90 91 92 93 94 95 96 97 98 99 100 101 102 103 104 105 106 107 108 109 110 111 A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A 21.0785 34.2897 38.0180 54.1319 62.4854 66.2612 73.1233 77.7360 88.9414 95.2274 109.9308 127.6147 162.3370 164.2030 182.0925 192.6038 209.4884 231.7208 238.4426 243.5109 263.7320 294.3508 312.4995 324.3563 347.1917 386.8468 398.9148 420.2824 442.5121 490.2344 535.4256 564.0843 578.5385 605.2290 619.3932 672.7702 705.1667 788.7630 794.0523 802.1923 803.9241 813.3017 815.9205 827.0516 859.7157 942.5295 974.6852 1003.6354 1022.7086 1027.0739 1050.7573 1056.3713 1079.3643 1092.5389 1097.2972 1110.8552 1117.6836 1168.6908 1172.4292 1173.7527 1193.4466 1195.4397 1232.4327 1238.1972 1289.2149 1341.3535 1348.1871 1369.5043 1383.4705 1399.8274 1409.3643 1412.5033 1416.4242 1457.4929 1471.2914 1474.4833 1476.1596 1481.4103 1485.2507 1486.6674 1489.1405 1491.1888 1492.2409 1495.3189 1498.3076 1500.5843 1503.9593 1509.1802 1568.1280 1586.8716 1635.1634 3022.7568 3024.0254 3031.4623 3033.6338 3036.1382 3037.7219 3047.6459 3080.4218 3082.8302 3092.3082 3100.1778 3102.6063 3106.6073 3114.1383 3115.3463 3116.0062 3116.5024 3141.1971 3145.2784 3223.8919 4.0086 3.1461 4.6827 3.4378 3.4348 2.9291 1.1311 2.9406 3.6807 1.6590 1.4899 1.2519 4.4587 2.9774 3.5186 3.7955 2.0802 1.8092 1.6836 4.7696 1.5706 4.6386 8.8322 3.1368 5.4654 3.4947 2.6488 6.5476 5.0519 5.9176 4.0353 3.9166 4.3301 3.8828 7.2883 6.8358 3.5623 1.6066 1.6375 3.7800 1.8374 2.3865 7.4003 8.7165 2.4534 2.2764 3.1679 5.1144 3.5064 2.0287 10.0077 1.6164 6.0990 1.9721 2.2065 2.0009 1.7105 1.7048 1.2553 1.2636 1.3382 1.3500 2.3291 2.6958 7.8186 1.2868 1.4623 3.7685 1.2433 1.2550 1.3202 1.2606 1.3225 3.2879 1.1315 1.1255 1.0438 1.1213 1.0738 1.1473 1.1884 1.0468 1.0507 1.0665 1.0785 1.0467 1.0628 1.0589 3.1461 5.9090 9.4777 1.0359 1.0356 1.0302 1.0355 1.0671 1.0302 1.0656 1.1021 1.1015 1.1001 1.0979 1.0963 1.1078 1.1038 1.1041 1.1030 1.1053 1.1048 1.1057 1.0936 0.0010 0.0022 0.0040 0.0059 0.0079 0.0076 0.0036 0.0105 0.0172 0.0089 0.0106 0.0120 0.0692 0.0473 0.0687 0.0830 0.0538 0.0572 0.0564 0.1666 0.0644 0.2368 0.5082 0.1944 0.3882 0.3081 0.2483 0.6814 0.5828 0.8379 0.6816 0.7343 0.8539 0.8380 1.6474 1.8229 1.0437 0.5889 0.6083 1.4332 0.6997 0.9301 2.9027 3.5128 1.0684 1.1915 1.7732 3.0353 2.1608 1.2609 6.5101 1.0628 4.1864 1.3870 1.5653 1.4548 1.2589 1.3719 1.0166 1.0256 1.1230 1.1367 2.0843 2.4351 7.6565 1.3641 1.5660 4.1643 1.4020 1.4489 1.5450 1.4819 1.5633 4.1151 1.4431 1.4417 1.3401 1.4499 1.3957 1.4940 1.5528 1.3715 1.3785 1.4050 1.4265 1.3886 1.4164 1.4210 4.5581 8.7670 14.9305 5.5769 5.5796 5.5781 5.6149 5.7954 5.6008 5.8314 6.1615 6.1679 6.1981 6.2171 6.2180 6.2994 6.3069 6.3135 6.3102 6.3253 6.4226 6.4450 6.6968 0.5182 4.0625 1.2063 0.6583 1.0776 1.0706 0.0347 1.0252 1.6309 1.3651 0.9496 0.0508 1.0631 2.6228 0.7947 4.0110 3.0483 1.1203 1.6955 2.5518 2.5836 5.1893 3.8185 1.3427 16.3295 6.5715 9.8936 8.4726 23.2391 17.0787 4.1938 1.7590 10.8712 2.1641 21.4304 18.0622 4.3415 63.0514 30.3427 167.1529 17.2744 5.0812 113.3413 306.3310 33.8044 22.5881 1.0412 10.4141 185.3325 66.2686 405.3846 4.7162 173.7121 20.6292 2.5646 46.6746 15.9488 149.3303 1.1486 2.0132 17.6335 13.9406 9.3943 23.7996 38.1064 11.4173 107.6014 251.3876 2.9559 2.8991 12.6523 31.2804 28.4356 11.4556 3.2911 3.8529 8.7895 43.7519 4.9729 31.6194 91.7867 2.2703 13.4652 6.0492 17.2644 10.9335 12.2435 8.3561 247.0046 506.2185 653.5677 24.6725 29.0873 43.5745 16.7059 24.2512 37.7749 51.0765 22.1318 20.2903 8.5555 15.1038 27.8654 14.3462 21.2268 39.2061 13.6081 6.5810 16.5420 11.1187 0.3128 0.00 0.11 0.07 -0.01 -0.00 0.01 -0.01 -0.02 -0.08 -0.04 -0.09 0.06 -0.01 -0.01 -0.03 -0.00 -0.01 -0.05 -0.01 0.00 0.05 -0.01 -0.02 -0.06 0.00 0.01 -0.00 0.01 -0.03 -0.14 -0.01 -0.01 -0.02 -0.05 -0.05 0.03 0.08 0.03 -0.19 -0.01 0.00 0.06 -0.01 -0.02 -0.04 -0.01 -0.01 0.02 -0.02 0.01 0.14 0.09 -0.13 0.20 0.03 0.09 -0.10 0.03 0.03 -0.04 0.02 0.04 0.04 -0.01 -0.05 -0.15 -0.02 -0.07 -0.17 -0.08 -0.07 0.06 -0.07 -0.08 -0.02 -0.05 -0.03 0.06 0.09 0.04 -0.19 0.11 0.07 -0.17 0.09 0.01 -0.27 -0.02 -0.01 0.04 -0.02 0.01 0.15 -0.05 -0.01 0.17 0.02 0.05 0.17 0.11 -0.23 0.30 0.21 -0.02 0.20 0.04 -0.17 0.19 0.06 0.09 -0.20 0.04 0.19 -0.05 0.03 0.08 -0.10 -0.01 -0.07 -0.05 -0.04 0.01 -0.00 -0.02 0.01 0.03 -0.11 0.06 -0.05 -0.03 0.07 0.07 -0.02 -0.01 0.01 -0.02 -0.02 -0.03 -0.02 -0.02 -0.02 -0.01 0.00 0.04 0.00 -0.02 0.01 -0.02 -0.02 -0.02 -0.04 0.08 0.04 0.13 -0.10 0.00 -0.02 -0.02 -0.02 -0.02 -0.01 -0.00 -0.02 -0.01 -0.00 -0.01 -0.02 -0.04 0.21 -0.00 -0.01 0.09 0.13 0.09 0.00 -0.01 0.09 -0.01 -0.03 0.01 -0.03 0.02 0.10 -0.06 -0.01 -0.07 -0.06 0.09 -0.02 -0.05 0.11 0.07 -0.04 0.09 0.06 0.17 -0.14 -0.10 0.20 -0.12 0.09 0.13 -0.10 -0.00 -0.01 -0.01 0.01 -0.01 -0.02 -0.03 0.01 -0.03 -0.06 -0.04 -0.03 -0.06 0.25 -0.26 0.17 0.48 0.10 -0.11 0.11 0.11 -0.09 0.16 0.09 0.04 0.12 0.15 0.11 0.08 0.19 0.15 0.17 -0.00 -0.02 0.03 -0.01 -0.02 -0.00 0.00 -0.10 -0.05 -0.01 -0.03 0.00 -0.03 0.10 -0.02 0.01 -0.01 0.00 0.01 -0.01 -0.00 0.01 -0.10 -0.02 0.01 0.16 -0.05 0.02 -0.04 -0.00 0.01 -0.04 -0.19 -0.02 0.24 -0.04 0.04 -0.05 0.00 0.01 -0.03 0.00 0.01 -0.10 0.00 0.01 -0.07 0.01 0.01 -0.00 -0.13 0.01 -0.03 0.04 -0.07 0.16 0.03 0.01 0.17 0.07 0.02 0.22 -0.07 -0.00 -0.04 -0.05 0.02 -0.05 -0.24 -0.03 0.23 -0.27 -0.04 0.18 -0.18 -0.02 0.37 -0.03 0.05 -0.05 -0.04 0.04 -0.05 -0.05 0.04 -0.07 0.01 0.02 -0.08 0.01 0.01 -0.02 -0.01 0.01 0.01 0.03 0.01 0.01 -0.14 0.07 0.02 -0.13 -0.02 -0.05 -0.19 -0.01 -0.05 0.03 -0.06 0.15 0.12 -0.10 0.16 0.01 -0.08 0.24 -0.02 0.01 0.03 0.02 0.02 0.03 -0.01 0.05 0.08 0.10 0.05 0.03 0.01 -0.02 -0.02 -0.04 0.00 0.02 -0.00 -0.00 -0.04 -0.02 0.03 0.04 -0.04 -0.03 0.04 -0.06 0.00 -0.05 -0.02 0.01 0.01 -0.07 -0.14 0.07 0.00 0.06 -0.10 0.01 0.00 -0.06 -0.01 0.04 0.03 0.01 0.03 -0.02 0.03 -0.02 -0.16 0.22 0.03 0.01 -0.13 -0.14 0.00 -0.05 -0.01 -0.03 -0.01 0.01 0.10 -0.09 -0.02 -0.05 -0.08 -0.01 -0.08 -0.06 -0.17 0.14 -0.11 -0.19 0.01 -0.07 -0.17 0.09 0.05 0.09 -0.11 0.03 0.06 -0.06 -0.03 0.06 -0.17 0.02 0.03 -0.04 0.04 -0.00 -0.08 0.14 -0.04 -0.24 -0.09 -0.03 -0.24 0.24 -0.07 -0.02 0.24 0.07 0.03 0.28 0.06 0.03 -0.20 -0.11 0.12 -0.17 -0.22 -0.04 -0.11 -0.18 -0.06 0.11 0.06 -0.02 0.02 0.02 -0.03 -0.02 0.05 -0.08 0.00 0.01 -0.03 -0.01 -0.03 0.00 -0.07 -0.00 -0.00 -0.02 -0.00 0.03 -0.04 0.03 -0.06 -0.07 -0.05 -0.08 -0.08 0.02 0.09 -0.04 0.01 -0.01 0.02 -0.04 -0.12 -0.05 -0.10 0.14 0.00 0.01 0.05 -0.02 0.04 -0.04 0.00 0.04 0.01 0.03 0.01 0.15 0.14 -0.02 0.03 -0.06 -0.11 0.04 -0.12 -0.06 -0.07 -0.08 -0.07 -0.11 -0.11 0.07 0.18 -0.10 0.10 0.04 0.07 -0.03 -0.12 0.03 -0.02 -0.08 0.01 -0.09 -0.18 -0.01 -0.14 0.04 -0.03 -0.19 0.19 -0.08 -0.07 0.21 0.02 0.05 0.02 0.04 0.00 -0.02 -0.16 0.06 0.29 0.21 -0.04 0.29 0.16 -0.14 0.13 0.27 0.05 -0.00 0.09 0.00 -0.00 -0.12 -0.08 0.08 -0.03 -0.16 0.02 -0.08 -0.15 0.05 -0.03 0.05 0.02 0.00 0.03 0.01 0.02 0.02 0.02 0.03 0.03 0.02 0.00 0.02 -0.02 -0.01 -0.05 -0.04 0.02 -0.06 -0.02 -0.00 -0.03 -0.02 -0.00 -0.02 0.02 -0.00 -0.05 -0.06 -0.00 -0.05 -0.03 -0.05 0.27 0.00 0.06 -0.08 -0.07 0.04 -0.04 0.02 0.02 -0.01 0.00 0.04 -0.02 0.03 0.06 -0.06 0.04 -0.04 0.04 0.00 -0.12 -0.12 0.03 0.03 -0.09 0.22 0.01 -0.15 -0.12 -0.02 -0.04 -0.02 -0.03 -0.05 -0.10 -0.09 0.33 -0.20 -0.05 0.39 0.13 -0.04 0.29 0.05 0.08 -0.09 -0.11 0.09 -0.08 -0.03 0.06 -0.08 -0.08 0.06 -0.01 0.06 0.08 -0.04 0.07 0.07 -0.10 0.04 0.06 -0.05 0.03 -0.04 0.09 -0.03 -0.09 0.02 0.02 -0.02 0.02 0.02 -0.18 -0.09 0.18 -0.18 -0.23 -0.03 -0.10 -0.12 -0.03 0.02 0.01 -0.00 0.01 -0.00 -0.01 -0.00 0.00 -0.01 0.00 -0.01 -0.00 0.00 -0.01 -0.01 -0.01 -0.00 -0.02 -0.00 0.00 0.01 -0.00 0.00 -0.02 -0.01 -0.00 -0.01 -0.01 0.01 0.01 -0.00 0.00 -0.01 -0.02 0.01 -0.01 -0.03 -0.02 0.03 -0.00 0.01 0.04 -0.00 0.01 0.00 -0.00 0.01 0.05 0.00 0.00 0.00 0.01 -0.01 0.00 0.01 0.01 -0.02 -0.01 -0.01 0.00 -0.00 -0.01 -0.02 -0.01 0.01 0.02 -0.00 0.02 0.02 -0.02 0.02 -0.02 -0.02 0.02 -0.00 -0.01 0.01 -0.00 -0.03 -0.03 0.02 -0.04 -0.04 0.03 -0.04 -0.01 0.06 0.00 0.01 0.08 0.01 0.06 0.53 0.42 -0.29 -0.28 -0.42 0.23 -0.33 0.01 -0.01 0.01 0.01 -0.00 0.01 0.01 -0.01 0.00 0.01 0.01 -0.05 0.03 0.03 -0.01 0.01 -0.01 -0.01 -0.03 0.05 -0.01 -0.03 0.03 -0.02 0.00 -0.01 -0.06 -0.08 0.01 -0.02 -0.03 0.06 0.00 0.04 0.02 0.05 0.00 0.02 0.04 0.01 -0.01 -0.01 0.04 0.02 -0.00 0.07 -0.01 0.02 0.02 0.01 0.03 0.08 -0.14 -0.00 0.22 -0.07 0.00 -0.00 0.01 0.00 0.01 -0.01 -0.03 -0.00 -0.01 -0.03 -0.02 0.01 -0.01 -0.11 0.02 0.01 -0.11 -0.08 0.08 0.02 0.07 -0.12 0.01 0.10 0.07 0.05 0.04 0.11 0.01 -0.02 -0.06 0.10 -0.18 0.12 0.11 -0.22 -0.07 0.08 -0.14 -0.06 0.22 -0.14 -0.07 0.29 -0.03 0.08 0.28 -0.11 -0.02 -0.01 -0.02 -0.05 -0.02 0.02 0.15 0.12 -0.07 -0.11 -0.15 0.09 -0.12 -0.11 0.03 0.15 -0.02 0.01 -0.05 -0.24 0.02 -0.04 -0.13 -0.09 0.26 -0.17 -0.23 0.01 -0.08 -0.04 0.04 0.06 0.01 -0.03 0.00 -0.01 -0.03 -0.02 0.01 -0.07 -0.03 -0.01 -0.03 -0.01 -0.02 0.02 -0.06 -0.01 0.21 -0.02 -0.03 0.13 -0.03 0.01 0.09 -0.06 -0.05 0.03 -0.09 -0.02 -0.00 -0.04 -0.01 0.14 0.14 0.09 -0.09 0.01 0.15 -0.13 0.00 -0.03 0.01 -0.02 0.01 -0.01 0.00 -0.01 -0.07 0.03 -0.05 -0.06 -0.01 -0.02 0.00 0.03 0.00 0.03 -0.15 -0.11 0.11 -0.13 -0.15 -0.11 -0.15 -0.10 -0.03 -0.14 -0.08 -0.05 0.22 0.14 -0.17 0.22 0.18 0.05 0.13 0.05 -0.23 0.06 0.23 -0.09 0.07 0.23 -0.09 -0.01 0.13 -0.30 0.02 -0.01 -0.16 0.05 -0.03 -0.00 0.12 -0.08 -0.13 -0.07 -0.07 -0.13 -0.01 -0.04 0.08 0.05 -0.01 -0.03 -0.07 -0.02 -0.03 0.03 0.01 -0.03 0.09 0.03 0.05 0.01 -0.02 0.08 -0.04 -0.01 -0.03 -0.01 0.01 -0.02 0.02 -0.02 -0.01 -0.04 -0.01 -0.02 0.01 0.04 -0.02 0.04 -0.00 -0.01 0.02 -0.00 -0.00 0.03 -0.01 -0.00 0.04 0.01 0.01 0.03 0.00 0.00 0.03 -0.00 -0.00 0.02 0.02 0.02 -0.12 0.08 0.02 0.02 -0.00 0.00 0.02 -0.02 -0.01 0.02 -0.01 -0.01 0.01 0.00 0.01 0.03 -0.03 0.07 -0.03 -0.04 0.04 0.05 0.01 0.01 0.04 0.01 0.01 0.07 -0.04 -0.10 0.10 -0.01 0.11 -0.00 0.02 0.01 0.02 0.02 0.01 0.02 0.04 0.03 -0.16 0.12 0.12 -0.20 0.09 -0.08 -0.13 0.09 0.04 0.01 -0.02 -0.01 0.01 0.00 0.03 0.02 -0.01 -0.00 0.00 0.02 -0.00 0.05 -0.13 0.54 0.43 -0.00 -0.16 -0.37 0.04 -0.12 -0.02 -0.07 0.19 -0.12 -0.16 -0.02 0.00 0.03 -0.01 -0.02 0.03 -0.00 -0.02 0.00 -0.01 0.01 -0.02 -0.04 -0.05 -0.01 -0.01 -0.01 0.05 0.01 0.02 -0.00 0.00 0.01 -0.00 0.02 0.01 -0.02 -0.02 0.03 0.01 0.00 0.03 -0.01 0.01 0.01 -0.01 0.00 0.03 0.01 0.00 -0.06 0.04 0.01 -0.00 -0.01 0.00 0.00 -0.03 -0.03 -0.00 -0.02 -0.03 -0.01 0.00 0.02 0.08 -0.03 -0.01 0.01 -0.02 0.09 0.04 0.02 -0.00 0.02 0.02 0.01 0.05 -0.03 -0.06 0.06 -0.02 0.06 0.02 -0.00 0.02 0.04 -0.01 -0.00 0.03 0.02 -0.00 -0.07 0.08 0.07 -0.10 0.04 -0.04 -0.07 0.05 0.02 -0.01 -0.03 -0.05 -0.02 -0.00 0.07 0.01 -0.03 0.01 -0.04 0.04 0.00 0.07 -0.07 -0.47 -0.25 0.05 0.24 0.51 -0.10 0.19 0.13 -0.11 0.32 -0.18 -0.17 -0.01 0.09 0.20 -0.01 0.00 -0.01 0.00 0.02 -0.02 0.00 -0.01 0.01 0.01 0.04 -0.02 0.01 0.02 -0.01 -0.02 -0.03 0.01 0.00 -0.01 0.01 -0.01 -0.01 0.02 0.01 -0.03 -0.01 -0.01 -0.04 0.01 -0.00 -0.02 0.01 0.00 -0.02 -0.00 -0.01 0.03 -0.02 -0.01 -0.01 0.01 0.00 -0.01 0.02 0.01 -0.01 0.02 0.02 -0.00 0.01 -0.01 -0.03 -0.01 0.01 0.07 0.01 -0.01 -0.05 -0.02 0.01 -0.02 -0.03 -0.02 -0.07 0.03 0.05 -0.07 0.03 -0.05 -0.00 0.01 -0.03 -0.04 0.02 0.00 -0.03 -0.02 -0.01 0.05 -0.04 -0.06 0.06 -0.03 0.04 0.02 -0.02 -0.01 -0.00 0.02 0.02 -0.00 0.01 -0.03 -0.01 0.02 -0.01 0.00 -0.01 -0.01 -0.04 0.04 0.11 0.02 -0.04 -0.04 -0.13 -0.01 -0.03 0.37 -0.22 0.39 -0.40 -0.19 -0.14 0.27 0.46 -0.26 0.11 0.05 -0.04 -0.03 0.01 -0.04 -0.00 -0.01 -0.01 -0.11 -0.01 -0.05 -0.03 0.01 -0.03 0.02 -0.01 0.04 -0.00 -0.02 -0.12 0.00 -0.03 -0.04 0.02 -0.01 0.03 0.02 -0.01 0.02 0.01 -0.02 -0.02 0.04 -0.01 0.02 0.00 0.04 -0.00 -0.01 -0.01 0.07 -0.00 -0.01 0.15 -0.01 0.01 0.38 -0.02 -0.03 -0.16 -0.02 -0.04 0.02 -0.06 0.00 -0.04 0.02 -0.01 0.03 0.01 -0.01 0.02 0.02 -0.03 -0.02 0.03 -0.03 0.03 0.05 -0.01 0.03 0.05 -0.01 0.03 0.04 -0.01 0.00 -0.01 0.06 0.03 -0.01 0.07 -0.02 0.00 0.03 -0.03 -0.01 0.02 0.55 -0.03 -0.06 -0.42 -0.08 0.22 -0.14 0.03 -0.24 -0.10 -0.01 -0.09 -0.06 -0.05 0.04 0.09 0.08 -0.08 0.07 -0.03 -0.02 0.02 -0.13 -0.02 -0.06 -0.03 0.04 -0.10 -0.09 -0.09 -0.06 0.02 -0.00 -0.02 0.03 0.01 -0.01 -0.01 -0.07 0.01 0.04 0.06 -0.02 -0.02 0.03 0.03 0.04 0.03 -0.07 0.03 0.05 -0.05 -0.03 -0.07 0.02 -0.10 0.07 0.01 0.03 0.04 -0.04 0.00 -0.01 -0.01 0.03 0.03 -0.01 0.04 0.04 -0.01 0.03 0.05 -0.00 0.03 0.06 0.06 0.05 0.04 0.01 -0.05 -0.08 0.16 0.03 -0.04 0.07 -0.10 -0.11 0.09 0.02 -0.15 -0.05 -0.19 0.08 0.13 -0.16 0.15 -0.10 0.14 0.06 -0.11 -0.09 0.11 0.07 -0.01 -0.16 -0.00 0.16 0.04 -0.14 0.10 -0.08 0.12 -0.06 0.08 -0.03 0.04 0.07 0.11 0.05 0.04 0.00 0.04 0.04 0.01 0.06 0.04 0.01 -0.06 -0.02 -0.01 -0.22 0.01 0.33 0.11 -0.24 0.28 -0.10 0.05 -0.02 0.25 -0.05 0.09 -0.06 -0.20 0.22 0.02 -0.02 -0.07 0.01 0.02 -0.04 -0.00 0.03 -0.02 -0.00 -0.03 -0.02 0.02 0.03 -0.03 -0.02 -0.01 -0.12 -0.02 0.01 0.19 -0.02 0.04 0.16 -0.01 0.09 -0.08 0.06 -0.04 -0.05 -0.03 0.01 0.11 -0.11 0.02 -0.03 -0.02 -0.11 0.01 0.01 0.01 0.07 -0.00 0.04 0.07 0.01 0.03 -0.01 0.06 -0.04 -0.11 -0.03 -0.04 0.12 0.03 -0.02 0.04 0.07 0.14 -0.15 -0.04 0.18 0.01 0.13 -0.00 -0.09 0.09 -0.08 0.01 -0.31 -0.06 0.08 -0.02 -0.13 -0.14 -0.09 0.22 0.02 -0.14 -0.18 0.06 -0.07 -0.05 -0.08 0.08 -0.15 0.09 0.02 0.02 -0.15 0.09 -0.03 -0.24 0.07 0.07 -0.13 0.04 -0.20 -0.10 -0.03 -0.00 0.03 -0.13 0.05 0.24 0.07 -0.17 0.20 -0.01 0.00 0.02 0.13 -0.06 0.03 -0.01 -0.07 0.11 -0.12 0.14 0.05 0.03 -0.03 -0.05 0.00 -0.03 -0.07 0.11 -0.04 -0.02 0.02 -0.02 -0.02 -0.01 -0.00 -0.00 -0.02 0.00 0.00 -0.01 -0.01 0.00 -0.01 -0.00 -0.01 -0.01 -0.01 -0.01 -0.01 -0.00 0.01 -0.02 0.00 -0.01 -0.01 -0.01 -0.00 -0.02 0.00 0.04 -0.01 -0.01 0.03 -0.02 0.00 0.10 -0.05 0.01 -0.05 0.03 -0.02 -0.13 0.20 -0.08 0.17 -0.01 -0.00 -0.01 -0.01 -0.00 -0.01 -0.01 -0.00 -0.00 -0.01 -0.01 -0.01 -0.02 0.00 -0.01 -0.02 0.00 -0.01 -0.02 0.00 -0.00 -0.01 -0.02 -0.01 -0.01 -0.01 -0.00 0.00 -0.02 0.00 -0.03 -0.00 0.12 -0.07 -0.01 -0.13 -0.05 0.10 -0.06 -0.05 -0.05 -0.05 0.03 0.01 0.02 0.14 -0.12 -0.26 -0.13 0.07 -0.23 0.15 -0.04 0.02 0.52 -0.10 0.19 0.07 -0.16 0.46 0.02 0.02 0.02 -0.01 -0.01 0.01 0.03 -0.04 0.00 -0.05 -0.00 -0.01 0.00 0.02 0.00 0.03 -0.01 -0.08 0.04 0.05 0.12 0.06 -0.00 0.05 0.03 -0.10 -0.01 -0.03 0.03 -0.04 0.06 0.02 0.05 -0.02 -0.01 -0.00 -0.02 -0.04 -0.01 -0.00 0.02 0.04 0.03 -0.03 0.02 -0.00 -0.02 -0.02 -0.09 0.08 -0.06 0.01 -0.01 -0.05 -0.04 0.01 -0.02 -0.03 -0.15 0.09 0.11 -0.19 -0.08 -0.08 0.03 0.03 -0.04 0.10 -0.08 0.26 0.14 -0.23 -0.33 0.26 0.11 -0.05 -0.37 0.12 0.13 0.00 -0.14 -0.01 -0.26 0.09 -0.19 0.07 0.06 -0.02 -0.04 -0.10 -0.17 0.02 -0.11 -0.08 0.21 -0.08 -0.11 0.07 -0.07 0.01 -0.05 -0.04 0.04 -0.01 -0.07 0.00 0.04 -0.06 -0.06 0.02 -0.00 -0.06 0.01 -0.02 -0.03 -0.00 -0.05 0.03 0.01 -0.04 0.01 0.02 -0.02 -0.01 0.02 0.02 0.05 0.02 -0.01 0.01 0.03 -0.03 -0.00 -0.01 0.01 -0.02 -0.02 -0.10 -0.02 -0.01 0.11 -0.01 -0.03 0.00 0.04 -0.04 0.01 -0.01 -0.02 0.00 -0.01 -0.01 0.00 0.02 -0.00 -0.00 -0.03 -0.01 -0.05 -0.01 -0.01 0.04 -0.03 -0.02 -0.02 -0.08 0.03 0.05 -0.00 0.02 0.06 0.03 -0.01 0.02 -0.03 -0.05 0.03 0.02 -0.06 -0.02 0.09 -0.04 -0.05 0.06 -0.10 0.06 0.26 0.11 -0.15 -0.28 0.21 0.09 -0.04 -0.35 0.08 -0.26 -0.12 0.19 -0.01 0.34 -0.16 0.32 -0.20 -0.04 -0.04 -0.03 -0.02 -0.13 0.01 0.14 -0.10 -0.02 0.07 -0.07 0.15 0.05 -0.01 0.06 0.05 -0.03 0.05 0.10 0.00 -0.05 0.08 0.01 -0.00 0.02 0.08 -0.04 0.01 0.01 -0.02 0.07 -0.03 -0.01 0.02 -0.01 -0.02 0.02 -0.01 0.01 -0.02 -0.03 -0.01 0.01 -0.03 -0.05 0.03 -0.00 0.03 -0.01 0.00 0.01 0.07 -0.01 0.02 -0.10 -0.00 0.02 -0.01 0.03 0.01 0.01 -0.01 0.02 -0.01 -0.01 -0.01 -0.00 0.01 0.01 0.02 0.03 0.02 0.04 -0.01 0.03 -0.04 0.02 0.04 0.02 0.11 -0.05 -0.04 0.01 -0.01 -0.04 -0.01 0.00 -0.01 -0.02 0.02 -0.02 0.01 0.02 -0.00 0.08 0.03 -0.03 0.05 -0.03 0.04 0.30 0.11 -0.13 -0.29 0.20 0.06 -0.04 -0.38 0.07 -0.28 -0.13 0.19 -0.02 0.34 -0.14 0.33 -0.18 0.00 0.04 0.05 0.03 0.19 -0.00 -0.10 0.12 -0.04 -0.04 0.10 -0.17 -0.03 0.01 -0.04 -0.05 0.02 -0.03 -0.06 0.02 0.03 -0.05 0.02 -0.02 -0.02 -0.06 0.04 0.01 0.01 0.03 -0.04 -0.00 0.05 0.03 -0.04 -0.05 -0.02 -0.01 -0.03 -0.01 -0.16 -0.06 -0.05 -0.06 -0.08 0.01 0.01 0.03 -0.05 0.03 -0.01 -0.18 0.01 0.08 0.29 0.01 0.03 -0.04 0.01 0.06 0.01 0.02 0.04 0.03 -0.06 -0.00 -0.01 0.04 0.05 0.01 0.05 0.01 -0.08 0.00 0.05 0.10 0.04 0.04 -0.03 0.19 -0.06 0.09 -0.02 -0.09 -0.10 0.00 -0.02 -0.00 0.01 0.03 -0.05 0.03 0.04 -0.02 -0.00 0.06 0.04 0.01 0.09 -0.01 -0.00 0.02 -0.04 -0.20 0.05 -0.02 -0.07 -0.11 0.09 0.23 0.14 -0.11 0.07 -0.15 0.12 -0.15 0.17 -0.00 0.07 0.06 -0.08 0.32 0.04 0.22 0.17 -0.29 0.13 0.21 -0.01 0.10 0.00 -0.20 -0.10 0.05 -0.07 -0.13 0.01 0.00 -0.12 0.06 -0.05 -0.03 -0.01 0.01 0.01 0.01 0.03 0.01 -0.00 -0.00 0.03 0.01 -0.02 0.01 0.03 -0.03 -0.01 -0.07 -0.03 0.00 0.04 0.04 0.00 -0.02 -0.01 0.01 0.04 0.02 -0.01 0.04 0.02 0.02 -0.03 -0.07 -0.00 -0.06 0.02 0.01 0.03 0.02 0.01 -0.04 0.01 -0.02 0.00 -0.01 -0.00 0.03 0.02 -0.01 0.03 0.01 0.01 0.02 0.01 -0.00 -0.02 0.06 -0.00 0.01 -0.04 -0.06 -0.03 0.00 -0.02 -0.06 -0.11 0.06 -0.01 -0.13 -0.05 -0.09 0.03 0.05 -0.09 0.04 -0.04 -0.32 -0.09 0.05 0.21 -0.16 -0.05 -0.00 0.34 -0.06 -0.31 -0.20 0.14 0.02 0.38 -0.13 0.38 -0.24 -0.04 0.02 0.01 -0.01 -0.07 0.03 0.01 -0.03 0.09 -0.00 -0.02 0.11 -0.01 0.02 -0.10 -0.07 0.03 -0.05 -0.08 0.03 0.03 -0.07 -0.07 0.03 0.01 -0.04 -0.00 -0.02 -0.02 -0.04 -0.05 0.05 -0.03 0.05 0.05 -0.02 0.04 0.03 -0.03 -0.01 -0.03 -0.09 0.07 0.23 0.29 -0.09 -0.04 0.02 0.04 -0.08 -0.02 -0.00 -0.06 -0.03 -0.02 -0.05 0.12 -0.05 0.02 -0.01 0.04 -0.07 -0.02 0.00 -0.07 0.01 -0.03 0.02 0.05 0.01 -0.05 -0.01 -0.00 -0.02 -0.01 -0.01 -0.04 -0.00 0.01 0.01 -0.06 0.01 -0.00 -0.08 -0.11 -0.04 0.02 -0.02 0.00 0.18 -0.16 -0.13 0.22 0.03 0.05 -0.00 0.00 0.02 -0.05 0.06 0.12 0.06 -0.05 -0.27 0.10 -0.05 -0.09 -0.24 0.03 0.16 0.14 -0.03 0.04 -0.07 0.08 -0.12 0.12 -0.03 -0.06 -0.01 0.02 0.07 -0.02 0.01 0.01 -0.11 0.01 0.01 -0.10 0.01 0.00 -0.12 -0.12 0.03 -0.19 -0.21 -0.02 0.07 -0.17 -0.27 0.15 0.12 0.03 -0.11 -0.08 -0.07 -0.19 -0.05 0.05 0.10 0.02 -0.02 -0.06 -0.05 -0.01 0.03 0.52 -0.20 0.03 -0.14 0.04 -0.01 -0.21 -0.00 0.02 -0.00 -0.02 0.02 0.12 -0.01 -0.01 -0.16 0.00 0.01 0.04 -0.04 0.04 -0.00 -0.01 0.01 -0.06 0.06 0.00 0.02 -0.01 0.00 0.00 -0.01 0.00 -0.04 -0.01 0.00 0.04 -0.02 -0.01 -0.14 0.04 -0.03 0.01 -0.06 -0.04 0.03 0.16 -0.14 -0.03 -0.00 0.01 0.04 0.01 0.00 0.04 -0.08 0.04 0.04 -0.06 0.08 -0.05 0.09 -0.00 0.04 0.11 -0.01 0.04 0.06 -0.00 -0.06 -0.07 -0.05 0.01 0.00 0.08 -0.01 0.08 -0.05 0.01 -0.02 -0.01 -0.13 0.09 0.01 0.04 0.03 -0.11 0.03 0.05 -0.03 0.02 -0.04 -0.12 0.03 -0.03 0.13 0.13 0.00 -0.13 0.09 0.16 -0.13 -0.02 0.34 -0.24 -0.07 0.09 -0.11 0.17 0.01 0.01 -0.01 -0.02 0.01 -0.01 0.01 -0.03 0.03 0.04 0.03 -0.01 -0.04 -0.02 -0.00 0.02 0.01 -0.02 0.03 -0.02 0.05 0.02 -0.06 -0.04 -0.02 -0.05 -0.13 0.02 0.07 0.14 0.02 -0.02 -0.00 -0.20 -0.00 -0.08 0.12 0.20 0.07 0.01 -0.04 0.02 0.01 -0.07 -0.01 0.01 -0.07 0.00 -0.02 -0.04 -0.00 -0.00 0.04 0.04 0.00 0.00 0.01 -0.05 -0.08 -0.10 -0.00 -0.07 -0.15 0.01 0.07 0.15 0.02 0.11 0.11 -0.38 -0.02 -0.14 -0.27 -0.03 -0.15 -0.18 0.10 0.13 0.20 0.31 0.10 0.20 0.30 0.13 0.08 0.18 -0.15 -0.00 -0.08 -0.00 -0.03 -0.05 -0.03 -0.01 -0.00 -0.01 -0.02 -0.05 -0.01 -0.01 0.07 0.05 -0.01 0.05 0.05 -0.01 -0.01 0.05 0.04 -0.02 -0.01 0.01 0.01 0.01 0.00 0.03 0.03 -0.08 -0.01 0.06 0.17 -0.01 0.01 0.07 0.04 -0.06 -0.23 0.13 -0.16 0.13 -0.12 0.09 -0.05 -0.03 0.09 0.00 -0.04 -0.02 -0.02 0.00 -0.01 -0.06 0.06 -0.04 0.06 -0.11 0.03 -0.03 -0.03 0.02 -0.08 0.01 -0.04 0.01 -0.00 -0.00 0.04 -0.02 -0.00 0.04 0.04 -0.02 0.05 0.01 0.02 -0.09 0.08 -0.00 -0.02 0.08 0.05 0.04 -0.08 -0.08 -0.01 0.11 -0.13 -0.15 0.15 0.01 0.16 -0.11 -0.09 0.09 -0.25 0.14 -0.02 0.03 -0.05 -0.19 0.04 -0.06 -0.09 -0.09 0.02 0.12 0.11 0.01 -0.01 -0.10 0.01 -0.14 0.07 -0.06 0.06 0.02 0.04 -0.24 -0.02 0.01 -0.10 0.19 -0.01 -0.09 0.20 -0.02 0.00 -0.05 0.02 -0.01 0.27 0.18 0.08 -0.05 0.14 0.01 -0.05 -0.10 -0.07 0.02 -0.04 0.08 -0.12 -0.21 -0.01 -0.00 0.04 0.05 -0.02 0.00 0.02 -0.08 -0.09 -0.02 0.11 -0.09 0.08 0.01 0.02 0.04 0.03 -0.12 -0.08 0.01 -0.00 -0.01 -0.06 0.07 0.06 0.02 0.02 -0.12 0.16 -0.03 -0.00 0.00 -0.01 0.07 0.00 0.04 -0.01 0.03 0.01 -0.11 -0.01 0.02 -0.02 -0.08 0.01 -0.10 -0.05 0.01 0.02 -0.13 0.01 0.01 0.11 0.07 0.01 -0.02 -0.03 0.06 0.01 0.04 0.10 0.01 0.04 -0.29 0.16 0.18 -0.17 0.37 -0.19 0.10 -0.00 0.07 0.11 -0.02 0.04 0.07 -0.00 -0.02 -0.13 -0.13 -0.04 0.04 0.16 0.03 0.17 -0.07 0.04 -0.16 -0.09 -0.02 0.18 -0.03 -0.02 0.03 -0.23 0.01 0.01 -0.28 0.02 0.01 0.10 0.08 0.00 0.21 0.14 0.02 -0.03 0.12 -0.04 0.02 -0.01 -0.02 0.00 -0.02 0.02 -0.06 -0.08 0.00 0.02 -0.02 -0.02 -0.01 -0.02 0.05 -0.05 0.04 0.04 -0.01 -0.01 -0.04 -0.02 0.04 -0.03 0.01 0.06 0.09 -0.04 -0.01 0.04 -0.05 0.00 -0.04 0.21 -0.03 -0.14 0.05 -0.02 0.03 -0.01 0.01 -0.02 0.03 -0.02 -0.04 -0.04 -0.02 0.08 -0.05 -0.01 0.05 -0.06 0.01 0.08 -0.08 0.01 -0.03 0.02 0.00 0.00 -0.01 0.00 -0.03 0.03 0.02 0.12 0.34 -0.26 -0.21 0.44 0.13 -0.27 0.04 0.11 -0.21 0.16 -0.15 0.16 0.04 0.06 -0.16 0.04 -0.08 -0.03 -0.17 -0.01 -0.12 -0.15 -0.08 -0.00 0.03 0.01 0.07 -0.10 0.02 0.09 -0.08 0.02 -0.14 -0.05 0.02 -0.04 0.09 0.00 -0.02 0.13 -0.00 0.00 0.01 0.01 -0.00 -0.02 -0.00 -0.01 -0.03 -0.00 -0.01 0.02 -0.00 -0.05 0.05 0.03 -0.02 0.04 -0.00 -0.04 0.10 -0.08 0.10 -0.07 -0.11 0.02 0.02 0.17 0.12 -0.10 -0.15 0.07 0.02 0.33 0.00 -0.00 -0.02 -0.07 0.02 0.02 -0.02 -0.00 -0.02 0.00 -0.05 0.01 0.03 -0.01 0.01 -0.02 -0.00 -0.02 0.01 -0.01 0.01 0.01 0.01 0.01 -0.06 0.02 -0.01 -0.00 0.02 0.03 -0.05 0.03 -0.03 -0.00 -0.03 0.00 -0.02 -0.15 -0.03 -0.19 0.16 0.06 -0.04 -0.09 0.07 0.05 -0.11 -0.03 0.07 -0.00 -0.02 0.05 -0.04 0.04 -0.02 -0.01 -0.01 0.06 -0.01 0.03 0.02 0.03 -0.02 0.04 0.05 0.02 0.01 0.00 0.00 -0.02 0.03 -0.01 -0.08 0.01 -0.03 0.06 0.02 0.01 -0.01 -0.09 0.01 0.01 -0.06 0.01 -0.03 -0.03 0.03 -0.03 -0.11 0.01 -0.07 -0.25 -0.02 -0.28 0.21 0.04 -0.42 0.31 0.12 -0.09 0.01 -0.26 -0.03 -0.00 -0.06 0.08 0.09 0.02 -0.04 0.21 0.00 -0.10 -0.09 0.12 0.01 -0.06 0.02 0.02 -0.04 -0.21 0.01 -0.12 0.04 -0.09 0.01 0.03 0.06 0.03 0.03 -0.05 0.08 0.05 -0.06 -0.07 -0.05 0.09 0.00 0.05 0.04 0.10 0.04 0.05 -0.13 0.04 -0.02 0.06 0.02 0.07 -0.03 -0.01 -0.13 -0.05 0.00 -0.02 -0.10 -0.07 0.03 -0.04 -0.02 0.13 0.03 0.04 0.10 0.04 0.07 -0.15 0.10 0.18 -0.07 0.27 -0.05 0.17 0.00 0.10 0.15 -0.01 0.07 0.09 -0.03 -0.05 0.05 0.11 0.05 0.12 0.23 0.09 0.09 0.04 -0.10 0.16 0.02 -0.06 -0.31 -0.17 -0.01 -0.12 0.11 -0.02 -0.15 0.05 -0.02 -0.01 -0.16 -0.13 0.00 -0.20 -0.15 0.03 0.09 -0.12 0.04 -0.04 -0.03 0.01 -0.01 -0.01 0.04 -0.02 -0.03 0.03 -0.05 0.15 -0.09 -0.14 -0.05 -0.10 -0.00 -0.05 0.11 0.05 -0.20 -0.00 0.12 -0.03 -0.06 -0.04 -0.18 0.10 -0.10 0.02 -0.06 0.10 0.02 -0.04 0.02 0.06 0.01 -0.03 0.05 -0.06 -0.02 -0.05 0.07 0.00 0.04 0.04 0.06 0.03 0.14 -0.08 0.05 -0.08 0.11 -0.02 0.12 0.02 -0.01 -0.03 0.05 -0.01 -0.00 0.03 0.04 -0.05 0.06 0.03 0.02 0.03 0.07 -0.00 0.02 0.08 0.08 0.02 0.03 0.04 -0.02 0.10 0.20 0.01 0.10 0.19 -0.01 0.10 0.05 -0.04 -0.17 0.12 0.16 0.07 0.09 0.14 0.07 -0.00 0.05 -0.15 0.29 0.12 -0.05 -0.25 -0.10 -0.03 -0.02 0.26 -0.04 -0.06 0.18 -0.04 -0.01 0.12 0.12 -0.01 0.15 0.13 -0.06 -0.20 0.09 -0.08 0.08 0.06 -0.02 0.01 0.01 -0.06 0.02 0.04 0.00 -0.02 0.05 -0.00 -0.02 -0.02 -0.09 0.10 -0.01 0.01 -0.00 -0.05 0.01 0.03 -0.01 0.11 0.06 0.19 0.08 -0.05 -0.00 0.03 0.12 -0.04 0.15 -0.02 -0.09 0.03 0.10 -0.09 0.05 0.01 0.07 -0.04 -0.00 -0.02 -0.03 -0.04 -0.02 -0.03 -0.14 -0.02 -0.06 0.09 -0.02 -0.01 0.03 0.01 -0.13 -0.18 0.02 -0.00 -0.03 -0.00 -0.01 0.01 0.01 0.04 -0.06 -0.06 0.13 -0.05 -0.13 -0.11 0.02 -0.00 -0.02 0.15 -0.18 -0.24 -0.02 -0.10 -0.24 -0.01 -0.13 -0.02 0.07 0.32 -0.16 -0.19 -0.06 -0.13 -0.16 -0.10 0.03 -0.02 0.26 0.15 0.12 0.04 -0.17 -0.20 0.05 -0.16 -0.19 0.04 -0.11 -0.11 0.03 -0.01 -0.01 0.01 -0.01 0.00 0.01 -0.02 -0.07 0.00 -0.02 0.02 0.02 -0.01 0.00 0.00 -0.01 -0.00 0.00 -0.00 -0.01 0.02 0.01 0.00 -0.01 -0.04 0.08 -0.01 0.00 -0.01 -0.02 0.02 0.01 0.01 -0.02 0.17 0.05 0.01 -0.03 0.00 -0.14 -0.16 0.02 -0.07 -0.03 0.03 0.11 0.18 -0.13 -0.10 0.05 0.02 -0.02 -0.02 -0.01 0.01 0.00 0.00 0.11 -0.00 -0.01 -0.04 -0.11 0.01 0.10 -0.17 0.02 0.07 0.09 -0.01 -0.00 -0.02 -0.01 0.00 0.00 -0.00 -0.30 -0.16 0.21 0.11 -0.25 -0.11 0.18 0.20 -0.19 0.12 0.03 -0.06 -0.03 -0.03 0.02 0.06 -0.05 0.00 -0.02 0.03 -0.09 -0.11 -0.17 -0.08 -0.11 -0.21 -0.07 0.05 0.06 0.38 0.05 -0.19 0.03 -0.02 0.03 0.01 0.06 0.14 -0.00 0.08 0.17 -0.01 -0.01 -0.01 -0.00 -0.00 -0.01 -0.00 -0.01 -0.03 -0.00 -0.01 0.01 0.00 -0.01 0.00 -0.00 0.00 -0.01 -0.02 0.01 -0.05 0.10 0.01 0.03 -0.04 -0.02 0.13 -0.01 0.02 -0.02 -0.08 -0.05 0.01 -0.03 0.10 -0.10 0.05 -0.15 -0.00 0.01 -0.08 -0.12 0.00 0.21 -0.02 -0.09 -0.08 -0.05 0.04 -0.03 -0.10 0.03 0.01 0.00 0.01 -0.03 -0.01 -0.01 0.01 0.11 -0.03 0.02 -0.03 0.01 0.01 0.02 0.00 0.11 0.18 -0.02 -0.01 -0.06 -0.02 -0.02 0.03 0.02 0.28 0.03 -0.16 0.08 0.09 -0.03 -0.30 -0.12 0.21 -0.15 0.17 -0.13 -0.16 0.00 -0.09 -0.19 0.02 -0.08 0.03 0.04 0.34 -0.02 0.01 0.01 0.02 0.09 0.01 0.00 -0.05 -0.13 -0.11 -0.05 0.02 0.11 0.19 -0.00 0.09 0.17 -0.00 0.13 0.22 -0.01 -0.01 -0.03 0.01 -0.01 -0.03 0.00 -0.03 -0.11 -0.01 -0.00 0.01 0.02 0.00 0.00 0.01 -0.03 0.05 0.05 0.00 0.01 -0.01 -0.00 -0.00 0.01 -0.01 0.02 0.06 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.01 0.01 0.07 0.00 -0.01 -0.15 -0.00 0.00 0.10 0.02 -0.00 -0.01 -0.00 0.00 -0.00 0.00 -0.01 -0.11 -0.00 -0.00 -0.01 -0.01 -0.01 -0.01 0.00 0.04 0.38 -0.00 -0.02 -0.18 -0.00 -0.01 -0.11 0.00 0.01 0.03 -0.00 -0.01 -0.00 0.00 -0.00 -0.00 0.01 0.00 -0.03 0.00 0.00 -0.02 -0.02 -0.01 -0.00 -0.01 -0.00 -0.01 -0.04 -0.00 -0.02 -0.05 0.00 -0.03 -0.00 0.01 0.06 -0.02 -0.03 -0.02 -0.02 -0.03 -0.01 0.00 -0.01 0.03 -0.00 -0.02 -0.15 0.00 -0.02 -0.29 0.28 0.43 -0.23 -0.28 -0.46 -0.14 -0.00 -0.01 -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 -0.11 0.19 0.07 0.17 -0.10 0.14 0.11 0.01 0.03 -0.05 -0.13 -0.19 -0.02 -0.09 -0.07 0.04 -0.04 0.02 0.08 -0.02 0.11 -0.03 0.01 -0.18 0.02 0.07 0.02 0.00 -0.01 0.08 0.05 -0.03 -0.03 0.00 -0.01 0.01 0.00 0.00 -0.10 0.01 0.03 0.14 -0.07 0.02 -0.05 -0.03 -0.01 -0.09 -0.14 0.02 -0.02 -0.15 -0.05 -0.06 0.06 0.05 -0.17 0.03 0.07 -0.13 -0.00 0.07 0.18 0.05 -0.13 0.07 -0.14 0.12 0.14 0.01 0.06 0.14 -0.00 0.07 -0.04 -0.05 -0.31 0.03 0.00 -0.02 0.02 -0.03 0.03 -0.00 0.02 0.02 -0.17 -0.11 -0.03 0.06 -0.05 -0.01 -0.06 -0.24 0.00 -0.10 -0.30 0.03 -0.02 -0.11 -0.01 -0.01 -0.08 -0.02 -0.04 -0.19 -0.05 0.04 -0.00 0.03 0.02 0.01 0.03 -0.08 0.17 0.16 0.01 -0.01 0.01 0.01 0.02 -0.01 0.28 -0.25 0.03 0.01 -0.00 0.02 -0.12 -0.02 -0.06 0.02 0.04 0.03 -0.24 -0.15 0.01 -0.09 0.03 -0.01 0.03 -0.01 -0.01 0.07 0.13 -0.08 -0.18 -0.11 0.00 0.00 -0.01 0.00 0.02 0.03 0.01 0.04 -0.05 0.02 0.17 0.16 0.01 0.08 0.23 -0.03 -0.06 -0.02 0.00 0.01 0.02 0.00 -0.04 0.04 0.03 -0.09 -0.09 0.11 0.09 -0.13 -0.10 -0.02 0.10 0.00 0.03 0.15 -0.14 -0.04 -0.02 0.01 -0.02 -0.03 -0.04 0.01 0.01 0.06 -0.09 -0.08 -0.01 -0.08 -0.09 -0.07 0.05 0.07 0.28 0.16 0.27 -0.09 -0.28 -0.17 0.02 -0.07 0.17 -0.01 -0.08 0.15 -0.03 0.01 0.00 -0.00 0.01 0.01 -0.00 0.01 0.03 0.00 0.03 -0.01 0.01 0.01 0.02 0.03 -0.05 0.11 0.11 -0.00 -0.00 0.00 0.00 0.00 -0.01 -0.02 -0.01 -0.08 -0.00 -0.00 0.01 0.01 0.00 0.01 0.00 0.01 0.09 0.01 0.01 0.03 0.00 -0.00 -0.06 0.01 -0.00 -0.00 -0.00 -0.00 0.00 0.01 -0.02 -0.25 -0.00 -0.00 -0.00 -0.00 -0.00 -0.01 0.00 0.01 0.07 -0.01 0.03 0.37 -0.01 -0.02 -0.07 0.00 0.00 0.01 0.00 0.01 0.00 0.00 -0.00 -0.00 0.01 0.01 -0.03 -0.02 0.02 0.01 0.01 -0.01 -0.02 -0.01 -0.03 0.01 -0.03 0.00 -0.03 -0.02 0.01 -0.00 0.00 0.01 0.03 -0.01 -0.02 -0.01 -0.01 -0.02 -0.01 -0.00 0.00 0.02 -0.01 -0.09 -0.87 0.01 0.01 0.00 0.03 0.04 -0.02 -0.02 -0.04 -0.01 0.00 0.01 -0.00 0.00 0.01 -0.00 0.00 0.02 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 0.05 0.02 -0.00 -0.02 -0.06 0.01 -0.01 -0.00 0.01 -0.04 0.00 -0.03 -0.02 0.04 -0.02 0.04 0.01 -0.02 -0.03 0.01 -0.03 0.06 0.08 -0.04 -0.05 -0.05 0.04 -0.02 0.04 0.05 0.03 0.03 0.01 -0.03 -0.03 -0.01 0.01 -0.01 0.01 -0.03 -0.00 0.02 -0.00 -0.03 -0.00 0.01 -0.00 0.00 0.00 0.01 0.00 -0.02 0.02 0.02 -0.09 -0.14 0.41 0.15 -0.29 -0.39 0.03 -0.05 -0.05 0.01 -0.08 0.13 0.07 -0.10 0.38 -0.16 -0.21 -0.34 0.02 -0.14 0.15 0.05 0.01 -0.06 0.08 0.06 0.09 -0.02 -0.07 -0.18 0.02 -0.03 -0.10 0.00 -0.00 0.00 0.01 0.01 -0.00 -0.00 -0.01 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.01 0.01 -0.00 -0.01 0.01 0.02 0.00 0.01 0.01 -0.03 0.05 0.05 0.00 -0.00 0.01 -0.04 0.01 -0.01 0.00 0.02 0.00 0.01 0.00 -0.01 0.03 -0.00 0.03 0.01 -0.02 -0.03 -0.01 -0.01 -0.07 0.02 -0.01 -0.07 -0.05 0.03 0.02 0.07 -0.03 -0.01 0.01 -0.00 0.14 -0.03 0.01 -0.02 0.03 -0.01 0.00 -0.01 0.01 0.03 0.01 0.00 0.03 -0.01 0.01 0.00 0.00 0.01 0.01 -0.00 -0.01 -0.00 0.02 -0.02 -0.02 -0.05 -0.03 0.16 -0.00 -0.08 -0.08 -0.18 0.06 0.40 -0.14 0.18 -0.38 0.08 -0.02 0.13 0.01 -0.07 -0.08 -0.04 -0.07 -0.14 -0.03 0.19 0.33 -0.22 -0.03 -0.31 -0.13 0.09 0.03 -0.02 -0.04 -0.35 0.01 0.01 0.00 0.02 0.02 -0.01 -0.01 -0.02 -0.00 -0.00 -0.01 0.00 -0.00 -0.00 0.00 -0.00 -0.01 -0.00 0.00 -0.01 -0.02 0.00 -0.01 -0.01 0.03 -0.04 -0.05 -0.01 0.01 -0.02 0.19 -0.06 0.01 -0.09 -0.07 0.02 -0.04 -0.01 0.04 -0.15 0.02 -0.13 0.00 -0.02 -0.02 0.05 -0.01 -0.06 -0.02 0.02 -0.05 -0.01 -0.06 0.01 0.04 0.01 -0.02 0.00 0.01 0.12 -0.01 -0.03 0.01 0.02 0.01 0.01 0.01 -0.01 0.03 -0.08 -0.00 0.01 -0.04 -0.04 0.02 0.03 0.03 0.00 0.01 0.05 0.01 -0.09 0.10 0.08 0.07 0.10 -0.34 -0.06 0.22 0.29 -0.04 0.04 0.11 -0.03 0.07 -0.14 -0.07 0.08 -0.30 0.12 0.17 0.28 0.01 0.13 -0.05 -0.02 0.05 0.11 -0.08 -0.03 -0.11 -0.02 0.05 0.07 -0.01 -0.05 -0.30 0.03 0.03 0.00 0.04 0.05 -0.01 0.02 0.03 -0.01 0.01 0.03 -0.00 0.01 0.03 -0.00 0.03 0.08 0.01 -0.03 0.06 0.10 -0.00 0.04 0.05 -0.14 0.20 0.23 0.00 -0.00 0.00 -0.04 -0.01 -0.01 0.04 0.04 0.01 0.00 0.00 0.01 0.03 -0.00 0.02 -0.01 0.00 -0.04 -0.02 -0.01 -0.09 -0.00 -0.02 -0.07 0.02 -0.03 -0.01 -0.06 0.03 0.00 -0.00 0.03 0.18 0.01 -0.01 0.01 -0.02 0.01 0.01 -0.00 0.01 0.03 0.03 0.00 0.01 0.02 0.02 0.04 -0.02 -0.02 0.01 0.00 0.01 0.00 0.01 -0.01 -0.01 0.04 0.03 -0.13 0.00 0.07 0.08 0.15 -0.06 -0.34 0.13 -0.12 0.32 -0.04 0.03 -0.11 0.02 0.06 0.09 0.02 0.06 0.05 0.04 -0.16 -0.28 0.20 0.04 0.28 0.12 -0.08 -0.02 0.01 -0.05 -0.58 -0.02 -0.02 0.02 -0.01 -0.01 0.00 -0.02 -0.02 0.00 -0.00 0.01 -0.00 -0.00 0.00 -0.00 0.00 0.02 0.00 0.00 -0.01 -0.02 -0.00 -0.00 -0.01 0.02 -0.04 -0.04 0.00 -0.01 0.02 -0.00 0.00 -0.06 -0.00 -0.01 -0.02 -0.01 -0.01 0.05 0.02 -0.00 0.02 -0.00 -0.00 -0.02 0.00 -0.01 -0.05 -0.00 -0.00 -0.08 0.00 -0.01 -0.00 -0.01 0.01 -0.00 -0.00 0.01 0.12 0.00 -0.00 0.01 -0.00 0.00 0.00 0.00 0.00 0.05 -0.00 0.02 0.18 -0.00 -0.02 -0.21 0.00 0.00 0.03 0.01 0.04 0.01 0.00 -0.01 -0.00 0.01 0.01 -0.05 0.00 0.03 0.04 0.02 -0.01 -0.05 0.02 -0.01 0.04 -0.01 0.01 -0.05 0.02 0.03 0.05 0.01 0.02 0.00 0.01 -0.02 -0.04 0.03 0.01 0.04 0.02 -0.01 0.00 0.01 0.09 0.88 -0.00 -0.01 -0.09 0.10 0.13 -0.06 -0.10 -0.12 -0.04 0.01 0.03 -0.01 0.01 0.01 -0.01 0.01 0.09 -0.00 -0.01 0.00 -0.01 -0.01 0.00 -0.00 0.01 -0.02 -0.03 0.00 -0.02 0.01 -0.01 0.28 0.08 -0.14 -0.31 0.04 0.07 0.01 -0.18 0.07 -0.01 0.07 -0.02 0.01 -0.01 0.06 -0.04 -0.02 -0.04 0.09 -0.04 0.04 -0.06 -0.02 0.00 0.01 -0.01 -0.05 0.01 0.06 0.03 -0.02 0.03 0.01 0.01 0.01 0.05 -0.06 0.02 -0.13 0.01 0.02 -0.07 -0.04 -0.01 0.07 0.06 -0.00 -0.02 -0.18 -0.06 0.08 -0.08 -0.07 0.05 0.07 -0.31 0.01 0.16 0.20 0.04 0.02 -0.05 0.01 -0.03 0.02 -0.11 0.06 -0.27 0.06 0.15 0.22 0.05 0.14 0.12 -0.01 -0.02 -0.02 0.01 -0.02 0.03 0.02 0.02 0.05 0.05 0.03 -0.05 -0.01 0.01 -0.00 0.07 0.16 -0.01 0.05 0.13 -0.02 -0.03 -0.16 0.01 -0.02 -0.09 0.01 -0.06 -0.33 -0.03 0.03 -0.05 -0.05 0.03 -0.05 -0.05 0.09 -0.10 -0.11 -0.01 0.06 -0.12 -0.00 -0.08 0.35 0.07 0.14 -0.10 0.08 0.05 -0.27 -0.08 0.02 -0.11 0.01 -0.01 -0.02 -0.05 0.01 -0.04 0.03 -0.05 -0.07 -0.02 0.02 0.01 -0.01 0.01 -0.00 0.02 0.00 0.09 -0.01 0.01 -0.01 -0.01 0.01 0.00 -0.02 0.03 0.03 0.07 0.01 0.13 0.04 0.01 -0.12 -0.03 -0.03 0.02 -0.03 -0.19 -0.05 -0.03 0.03 0.03 -0.00 -0.02 0.12 -0.01 -0.05 -0.07 0.01 -0.03 -0.08 0.04 -0.00 0.07 0.05 -0.02 0.11 -0.01 -0.06 -0.08 -0.02 -0.06 -0.06 0.01 -0.04 -0.08 0.07 0.02 0.10 0.04 -0.03 -0.01 -0.02 0.03 0.40 -0.00 -0.01 -0.05 0.03 0.01 -0.03 -0.09 -0.14 -0.01 -0.04 -0.14 0.04 -0.03 -0.06 0.05 -0.08 -0.48 0.02 0.02 -0.00 0.04 0.04 -0.01 0.02 -0.08 0.11 0.19 0.00 0.00 -0.00 -0.02 -0.01 0.01 0.09 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.01 0.00 -0.06 0.12 -0.02 0.03 0.08 -0.01 -0.09 -0.03 0.00 0.06 -0.04 -0.06 -0.01 -0.07 0.08 -0.07 0.13 -0.01 0.07 -0.03 0.06 -0.02 -0.08 -0.04 0.03 0.03 -0.00 0.01 0.00 0.00 0.08 -0.04 0.00 -0.06 -0.07 0.01 -0.00 -0.01 -0.00 -0.00 -0.00 0.00 -0.09 0.01 -0.27 0.12 0.06 0.08 0.02 0.12 0.28 -0.12 -0.06 -0.08 -0.16 0.04 -0.25 0.00 0.14 0.20 0.10 0.17 0.31 0.06 0.21 0.23 -0.11 0.05 -0.22 -0.19 -0.04 -0.35 0.10 -0.03 0.01 -0.02 -0.05 0.00 -0.05 -0.13 0.01 -0.06 -0.14 0.02 -0.00 -0.00 0.00 0.00 -0.00 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 0.00 -0.00 -0.01 -0.01 0.00 0.03 0.02 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.10 -0.06 -0.02 0.04 -0.00 0.00 0.01 0.02 -0.00 -0.04 -0.02 -0.12 -0.03 -0.04 -0.12 -0.01 -0.00 -0.00 0.13 0.03 0.11 0.09 0.10 0.10 -0.02 0.01 -0.00 0.00 -0.01 0.00 -0.02 -0.02 0.00 -0.01 0.02 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.06 -0.02 -0.13 -0.22 -0.01 -0.21 -0.05 -0.06 -0.12 -0.12 -0.19 -0.18 -0.07 -0.03 0.15 -0.13 -0.00 -0.04 0.14 0.03 0.51 -0.07 -0.01 0.14 -0.07 -0.10 -0.02 0.09 0.18 0.48 -0.07 -0.04 0.01 0.09 0.08 -0.01 0.01 -0.06 -0.00 0.01 -0.05 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 -0.01 0.00 -0.02 0.04 -0.01 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.02 0.03 -0.00 -0.17 -0.07 0.01 0.19 0.12 -0.01 -0.10 -0.00 -0.09 0.05 0.08 0.07 0.01 -0.01 -0.00 0.08 0.00 0.10 -0.04 -0.08 -0.08 0.00 -0.06 0.01 0.02 -0.03 0.00 -0.04 -0.10 0.01 0.10 0.01 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.24 -0.02 -0.14 -0.12 -0.04 -0.15 0.15 0.20 0.10 0.08 0.08 0.12 -0.06 -0.00 0.04 -0.04 0.05 0.09 0.10 0.07 0.33 0.04 0.05 -0.03 -0.02 0.04 -0.10 -0.10 -0.09 -0.30 -0.17 -0.18 0.01 -0.23 -0.20 0.02 0.05 0.31 0.00 0.05 0.30 -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 -0.01 -0.01 0.00 0.06 0.03 -0.00 0.00 0.01 0.00 0.00 -0.01 -0.00 0.00 -0.02 0.01 0.29 -0.10 0.01 -0.11 -0.15 0.01 -0.10 -0.00 -0.09 0.09 0.14 0.11 0.02 -0.10 0.01 0.05 0.01 0.09 -0.06 -0.07 -0.12 -0.07 -0.06 0.01 -0.00 0.02 -0.00 -0.22 0.23 -0.02 0.03 0.07 -0.01 -0.00 -0.01 0.00 -0.00 0.00 0.00 -0.17 -0.01 -0.12 -0.19 -0.00 -0.13 0.13 0.20 0.14 0.16 0.25 0.16 0.01 0.00 0.10 0.01 0.02 0.07 0.05 0.02 0.18 0.01 -0.03 -0.16 -0.00 0.01 -0.08 -0.05 -0.11 -0.28 -0.31 0.20 -0.01 0.15 0.16 -0.02 0.05 0.03 -0.02 0.05 0.04 0.01 -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 -0.03 -0.01 -0.01 0.19 0.03 -0.01 0.00 0.05 0.02 0.02 -0.04 -0.02 -0.02 -0.01 0.01 0.04 -0.10 0.01 -0.00 0.19 -0.02 0.07 0.00 0.05 0.03 0.04 0.01 -0.09 -0.01 0.00 -0.03 -0.01 -0.05 -0.01 -0.01 -0.01 -0.07 -0.08 0.01 -0.09 0.03 -0.00 -0.05 -0.19 0.02 -0.03 0.17 -0.02 -0.01 -0.05 0.00 -0.02 0.02 0.03 0.10 0.00 0.07 0.11 0.01 0.08 0.01 0.02 0.01 0.04 0.04 0.03 -0.02 -0.00 -0.08 -0.01 -0.01 -0.04 -0.03 -0.01 -0.08 0.01 -0.00 -0.04 0.01 0.02 0.01 -0.00 -0.03 -0.05 -0.08 -0.22 0.02 0.51 0.52 -0.06 0.07 -0.26 -0.04 0.06 -0.25 0.09 -0.01 -0.02 -0.01 0.00 -0.03 -0.00 0.01 0.02 -0.01 0.01 0.00 -0.01 -0.01 0.02 0.02 -0.00 0.00 -0.01 -0.00 -0.00 0.00 0.01 0.01 -0.00 -0.08 -0.04 0.01 -0.00 -0.01 -0.00 -0.01 0.02 0.01 0.03 -0.05 0.01 -0.06 -0.00 0.00 0.00 -0.01 -0.00 -0.08 -0.02 -0.05 0.06 0.06 0.04 0.04 -0.03 0.00 0.03 0.02 0.05 -0.03 -0.02 -0.05 0.00 0.05 -0.01 0.02 -0.00 0.00 0.15 -0.01 0.00 -0.12 0.05 -0.00 0.00 0.01 -0.00 0.01 -0.01 -0.02 -0.02 -0.00 -0.06 -0.21 0.01 -0.09 0.01 0.03 0.06 0.10 0.15 0.06 0.04 -0.01 0.14 -0.00 -0.02 -0.00 0.02 -0.03 0.08 -0.01 -0.05 -0.11 0.01 -0.01 -0.01 0.01 -0.04 -0.07 0.42 0.14 -0.02 0.36 0.36 -0.04 -0.03 -0.38 -0.02 -0.04 -0.39 0.10 0.00 0.00 0.00 -0.00 0.01 0.00 -0.00 -0.01 0.00 -0.00 -0.00 0.00 0.01 -0.01 -0.01 0.00 -0.00 0.01 0.00 0.00 0.00 0.08 -0.09 -0.05 0.03 0.00 -0.01 0.05 0.32 0.12 -0.31 0.30 0.23 -0.01 -0.00 0.00 0.01 -0.00 -0.00 -0.00 0.00 0.00 0.02 0.00 0.01 -0.01 -0.00 -0.01 -0.01 0.01 -0.00 -0.00 -0.00 -0.01 0.00 -0.00 0.01 -0.00 -0.00 0.01 -0.00 0.01 0.00 -0.01 -0.01 -0.00 0.01 -0.00 -0.01 -0.06 -0.30 0.01 0.15 -0.26 -0.32 0.03 0.00 0.01 0.01 0.00 0.02 -0.00 -0.00 -0.01 -0.01 -0.02 -0.01 -0.01 -0.00 -0.02 -0.01 -0.00 -0.02 -0.00 -0.00 0.01 0.02 0.02 0.02 -0.01 0.00 -0.01 0.00 -0.00 0.01 -0.07 -0.04 0.01 -0.02 -0.01 0.03 -0.03 -0.01 0.02 0.04 0.06 0.00 -0.07 -0.07 -0.05 -0.00 -0.21 0.01 0.04 0.16 -0.07 0.10 -0.21 -0.08 0.18 -0.15 -0.23 -0.01 0.11 0.21 -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 -0.02 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 0.02 0.16 0.00 0.00 -0.00 0.00 -0.00 -0.04 -0.00 -0.01 -0.16 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 0.00 0.00 -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 -0.01 0.01 0.01 0.10 0.01 0.05 0.35 -0.42 -0.43 0.22 0.42 0.45 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 -0.02 -0.01 -0.05 0.01 -0.04 -0.01 0.02 0.33 0.11 0.15 -0.15 -0.12 0.05 -0.06 0.01 -0.02 0.09 -0.01 -0.04 -0.02 0.00 -0.06 -0.05 -0.05 0.05 0.00 0.03 0.02 0.04 -0.01 -0.01 0.04 0.04 -0.02 0.02 -0.03 0.02 0.06 -0.00 -0.09 0.00 -0.00 0.04 -0.01 0.00 0.02 -0.08 0.00 -0.07 -0.30 0.01 -0.08 0.13 0.16 0.15 0.00 -0.06 -0.21 0.04 -0.04 -0.10 -0.13 0.04 0.06 0.15 -0.01 0.11 -0.00 0.22 0.04 -0.06 -0.03 -0.02 -0.09 -0.05 -0.04 -0.09 -0.15 0.02 -0.05 0.05 0.08 -0.02 0.07 0.17 0.07 -0.01 -0.22 -0.23 0.03 -0.04 0.11 0.03 -0.02 0.12 -0.04 -0.08 -0.17 -0.08 0.01 -0.23 -0.01 0.06 0.19 -0.07 -0.05 0.10 0.04 -0.09 0.09 0.12 -0.00 -0.03 -0.10 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 -0.07 -0.06 -0.03 0.00 0.03 -0.01 -0.01 0.01 -0.00 0.05 -0.06 0.11 -0.00 0.09 0.12 -0.00 0.01 0.01 0.04 0.04 -0.10 0.05 0.01 -0.12 0.01 0.03 -0.00 0.00 -0.00 0.00 0.01 -0.01 0.00 0.01 -0.03 0.00 0.00 0.01 -0.00 0.00 -0.00 -0.00 0.30 0.04 0.03 -0.27 0.09 0.12 0.16 0.16 0.03 -0.05 -0.17 0.17 -0.12 -0.07 0.07 -0.23 -0.09 -0.36 0.04 -0.09 0.23 -0.16 -0.11 -0.01 -0.19 -0.23 -0.33 -0.02 0.12 0.26 -0.06 -0.05 0.00 -0.08 -0.08 0.01 -0.02 0.03 0.01 -0.01 0.03 -0.01 0.00 0.01 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 -0.00 0.00 -0.00 0.00 -0.00 -0.01 -0.07 -0.00 -0.00 0.00 0.06 0.02 0.03 -0.03 -0.02 -0.03 0.04 -0.02 -0.02 -0.07 0.00 0.06 -0.05 0.01 -0.01 0.05 0.14 -0.04 0.03 -0.09 0.04 -0.02 0.00 0.07 -0.04 -0.11 0.01 -0.05 0.08 -0.02 -0.03 0.00 0.04 -0.03 0.01 0.00 0.08 -0.01 -0.02 0.04 -0.00 -0.01 -0.05 0.00 -0.01 0.03 0.03 -0.18 0.03 0.08 -0.00 -0.02 0.07 0.13 0.19 -0.10 -0.02 -0.10 -0.01 -0.30 -0.06 -0.27 -0.27 0.06 -0.19 0.10 0.10 0.37 0.14 0.21 0.24 0.03 0.17 0.01 -0.13 -0.03 -0.25 0.16 0.17 -0.02 0.13 0.14 -0.02 0.02 -0.06 -0.02 0.01 -0.07 0.03 -0.01 -0.03 -0.01 0.00 -0.04 -0.00 0.01 0.04 -0.01 -0.02 0.03 0.02 -0.02 0.02 0.02 0.00 -0.01 -0.02 -0.00 0.00 -0.00 -0.00 -0.01 -0.00 -0.05 0.01 -0.00 0.00 0.04 0.01 0.02 -0.01 -0.01 -0.03 0.07 -0.02 -0.02 -0.07 0.01 0.06 -0.03 0.00 0.07 0.06 -0.06 -0.10 -0.03 0.11 0.02 -0.02 0.00 -0.05 -0.04 0.04 0.07 0.03 -0.08 -0.02 -0.05 0.01 0.05 -0.03 0.00 -0.01 0.05 -0.00 -0.02 0.05 -0.01 -0.01 -0.03 0.00 -0.01 0.01 0.02 -0.14 -0.03 0.03 0.34 -0.06 -0.05 0.10 0.04 -0.03 -0.17 -0.32 0.12 0.10 0.05 -0.10 0.19 0.05 0.25 -0.04 0.07 -0.22 -0.17 -0.10 0.05 -0.18 -0.26 -0.29 0.00 0.15 0.34 0.11 0.12 -0.01 0.13 0.14 -0.01 0.02 -0.06 -0.02 0.02 -0.05 0.03 -0.01 -0.02 -0.01 -0.00 -0.03 -0.00 0.01 0.03 -0.01 -0.01 0.02 0.01 -0.01 0.01 0.01 0.00 -0.01 -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 0.00 -0.00 -0.00 -0.06 -0.01 0.04 -0.01 -0.02 0.00 0.00 -0.01 -0.00 0.08 -0.09 -0.07 -0.05 0.10 -0.08 0.01 0.00 0.01 -0.06 0.06 0.05 0.03 -0.07 0.06 -0.01 -0.00 -0.00 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 0.34 -0.01 -0.09 -0.09 0.09 0.03 0.23 0.30 -0.14 -0.02 -0.20 0.07 0.25 0.03 0.30 0.15 -0.11 -0.03 -0.09 -0.16 -0.27 0.14 0.23 0.31 -0.04 0.15 -0.11 -0.18 -0.00 -0.25 0.02 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 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.08 0.02 -0.00 -0.01 -0.03 -0.01 -0.01 0.01 0.01 0.04 0.02 -0.01 -0.03 0.02 -0.00 -0.00 -0.03 0.00 -0.03 -0.02 0.00 -0.02 -0.02 0.01 0.05 0.05 -0.00 0.01 0.02 -0.00 0.01 0.00 -0.00 -0.10 -0.08 0.01 -0.12 -0.04 0.00 -0.03 -0.01 0.00 0.06 0.02 -0.00 0.02 0.02 -0.00 -0.01 -0.01 -0.01 0.03 0.01 -0.05 -0.07 0.02 0.03 -0.01 -0.04 -0.03 -0.02 -0.04 0.01 0.00 -0.01 0.07 -0.03 -0.02 -0.06 0.00 -0.03 0.03 -0.01 -0.00 0.02 -0.02 -0.03 -0.03 -0.00 0.02 0.03 0.78 0.45 -0.05 -0.01 -0.01 0.00 0.03 0.19 0.00 0.03 0.18 -0.04 0.01 0.13 0.01 -0.05 -0.04 0.00 -0.05 -0.05 -0.01 0.05 -0.05 -0.04 0.03 0.00 -0.00 -0.02 0.06 0.04 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.04 0.01 -0.01 -0.01 -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 -0.00 0.00 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 0.10 -0.03 0.03 0.03 0.06 -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 -0.01 -0.05 -0.03 0.00 0.00 0.00 -0.00 -0.00 -0.01 -0.00 -0.00 -0.01 0.00 0.01 0.60 -0.02 -0.26 -0.42 -0.01 -0.25 -0.05 -0.11 -0.18 0.16 0.30 0.06 -0.27 -0.19 -0.05 -0.16 0.05 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.01 0.00 0.00 0.03 -0.01 0.01 -0.02 -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 0.00 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 0.00 -0.00 -0.00 0.00 0.01 0.00 -0.00 -0.07 0.02 -0.02 0.05 0.09 -0.05 0.00 0.00 -0.00 -0.01 0.00 0.00 -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 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.01 0.07 0.04 -0.00 -0.00 -0.00 0.00 0.00 0.02 0.00 0.00 0.02 -0.00 -0.00 -0.38 0.02 0.17 0.28 0.01 0.16 0.02 0.07 -0.26 0.24 0.46 0.11 -0.42 -0.30 -0.08 -0.23 0.10 -0.00 0.00 0.00 -0.00 0.00 0.01 -0.00 0.00 0.00 0.02 -0.02 -0.08 0.02 -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 -0.03 0.02 0.13 -0.03 0.01 -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 0.01 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.01 -0.19 -0.33 0.07 -0.44 -0.24 0.12 0.68 -0.02 0.10 -0.08 0.02 0.13 -0.07 -0.05 -0.09 0.13 0.17 -0.00 0.00 -0.00 -0.01 0.00 -0.01 -0.01 -0.00 -0.00 -0.01 0.01 0.03 0.07 -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 0.01 0.01 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.01 -0.01 -0.04 -0.11 0.02 -0.07 -0.01 -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 0.00 0.00 0.01 0.00 0.01 -0.00 0.00 0.00 0.01 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.05 -0.03 0.00 -0.00 -0.00 -0.00 -0.00 -0.01 -0.00 -0.00 -0.01 0.00 0.00 0.06 0.11 -0.02 0.14 0.08 -0.04 -0.22 0.01 0.31 -0.25 0.03 0.40 -0.19 -0.13 -0.26 0.42 0.51 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.04 0.01 -0.00 -0.00 0.01 0.00 0.01 -0.00 -0.00 -0.01 0.15 -0.02 -0.01 -0.08 0.01 0.05 -0.02 0.00 0.00 -0.14 0.02 0.05 -0.11 0.01 -0.04 0.08 -0.01 0.01 0.12 -0.02 -0.06 0.05 0.00 0.01 -0.08 0.01 0.07 -0.02 0.00 -0.02 0.05 -0.00 -0.01 0.04 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.04 0.02 -0.36 0.05 0.13 0.34 -0.08 -0.06 0.22 -0.11 -0.05 -0.23 0.06 -0.03 0.37 -0.05 -0.15 -0.31 -0.02 -0.22 0.04 -0.02 -0.10 -0.23 0.08 -0.03 0.21 0.14 -0.07 0.02 -0.12 -0.00 -0.00 0.10 0.11 -0.01 0.04 -0.03 -0.03 0.04 -0.03 0.04 -0.00 -0.01 0.00 -0.00 0.00 0.01 -0.00 -0.01 -0.00 0.01 -0.00 0.00 0.01 0.00 0.00 -0.01 0.01 0.01 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.02 -0.01 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.24 0.08 -0.03 -0.01 -0.04 0.00 -0.08 0.03 -0.00 -0.13 -0.04 0.02 -0.15 -0.02 0.02 0.04 -0.01 0.00 0.02 0.05 0.00 0.09 -0.05 0.00 0.03 -0.01 0.00 -0.03 0.06 -0.00 0.01 -0.02 0.00 -0.01 0.01 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.20 0.04 -0.23 -0.10 0.02 0.09 -0.04 -0.23 -0.37 0.03 -0.04 0.27 -0.02 -0.02 0.16 -0.08 -0.04 -0.14 0.00 -0.07 0.04 -0.02 0.09 0.32 -0.13 -0.05 -0.29 -0.16 0.10 0.01 -0.34 -0.22 0.02 0.02 0.03 -0.00 0.01 -0.05 -0.01 0.01 -0.05 0.02 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 -0.01 -0.01 -0.00 0.00 -0.00 -0.01 -0.01 0.00 -0.04 0.01 -0.00 -0.00 0.01 0.00 0.01 -0.00 -0.00 0.03 -0.00 -0.00 0.02 0.36 -0.04 0.22 -0.16 0.02 -0.00 -0.03 0.01 -0.04 0.03 -0.00 -0.34 -0.20 0.02 0.00 0.03 0.00 0.04 -0.03 0.00 0.18 -0.21 0.02 0.09 0.26 -0.03 -0.19 -0.11 0.01 -0.03 0.03 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.10 -0.00 -0.12 0.02 0.00 0.06 -0.04 -0.11 -0.17 0.08 0.14 0.12 0.00 0.00 0.07 -0.01 -0.04 -0.08 -0.01 -0.06 -0.01 0.00 0.04 0.13 -0.05 0.01 -0.12 -0.08 0.04 -0.03 0.37 0.19 -0.02 0.13 0.12 -0.01 0.05 -0.12 -0.05 0.05 -0.11 0.07 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 0.07 0.05 -0.01 -0.02 -0.01 0.00 0.01 -0.02 0.00 -0.04 0.00 -0.01 -0.01 -0.03 0.00 -0.01 0.05 -0.00 -0.00 -0.06 0.01 -0.02 0.01 0.00 0.03 -0.06 0.01 0.00 0.03 -0.00 -0.02 0.01 -0.00 -0.01 0.01 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.56 0.01 0.33 -0.48 0.00 -0.26 0.12 0.17 0.10 -0.17 -0.25 -0.13 -0.03 -0.01 -0.12 0.01 0.08 0.16 0.01 0.09 0.01 -0.02 -0.02 -0.06 0.03 -0.00 0.08 0.03 -0.02 -0.00 -0.09 -0.03 0.00 0.05 0.05 -0.01 0.04 -0.02 -0.04 0.04 -0.01 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 0.00 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 0.05 -0.01 -0.00 0.00 0.05 -0.01 -0.05 0.02 -0.00 0.01 0.01 0.02 -0.03 -0.03 -0.02 0.07 -0.11 0.01 -0.00 0.02 0.00 -0.04 0.03 -0.01 -0.03 0.00 -0.00 0.00 0.06 -0.01 0.02 -0.05 0.00 0.01 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.34 0.01 -0.19 0.03 -0.03 -0.01 0.37 0.60 0.29 -0.18 -0.32 -0.12 -0.01 0.01 0.04 0.00 -0.04 -0.05 -0.02 -0.05 -0.02 -0.02 -0.01 -0.09 0.07 -0.01 0.17 0.09 -0.03 0.05 0.00 -0.06 0.00 -0.01 -0.02 0.00 -0.02 0.02 0.02 -0.02 0.02 -0.03 0.00 -0.01 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 -0.01 -0.01 0.00 -0.09 -0.02 -0.00 0.00 0.02 0.01 0.01 -0.00 -0.00 -0.03 0.02 -0.00 0.03 0.07 -0.01 -0.15 0.06 -0.01 0.02 -0.01 0.01 0.00 -0.02 -0.01 0.05 0.02 -0.00 -0.00 -0.01 0.01 0.02 -0.01 -0.01 -0.24 -0.15 0.02 0.31 0.06 -0.01 0.07 -0.08 0.01 0.04 -0.02 0.00 0.00 -0.01 0.00 -0.00 0.01 0.00 0.08 -0.01 0.05 -0.25 0.02 -0.11 -0.10 -0.17 -0.08 0.18 0.31 0.12 0.00 0.01 -0.06 -0.00 -0.01 0.01 -0.00 0.03 -0.03 -0.01 0.01 0.07 -0.00 -0.00 -0.04 -0.04 0.03 0.01 0.09 -0.11 0.01 0.29 0.17 -0.02 0.05 0.41 -0.04 0.05 0.41 -0.04 0.00 -0.03 0.00 -0.03 -0.02 0.01 -0.02 -0.00 -0.01 0.01 -0.00 0.01 -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 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.01 -0.01 0.03 -0.01 0.00 -0.00 -0.01 -0.01 0.00 -0.07 -0.01 -0.05 -0.04 -0.05 -0.03 0.01 0.00 0.00 0.01 -0.00 -0.06 0.00 -0.01 -0.06 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 -0.00 0.32 -0.01 0.22 0.41 0.05 0.28 0.14 0.26 0.14 0.22 0.29 0.20 0.05 -0.09 0.21 0.06 0.14 0.13 0.03 0.04 0.26 -0.04 0.12 0.17 0.13 0.01 0.13 0.03 0.05 0.24 -0.02 -0.01 0.00 0.01 0.01 -0.00 0.01 -0.00 -0.01 0.01 0.00 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 -0.00 -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 0.02 -0.00 -0.01 -0.01 0.00 0.01 -0.00 0.00 0.04 -0.01 0.02 -0.02 -0.04 -0.01 -0.00 0.01 -0.00 0.02 0.01 0.07 -0.02 -0.03 -0.09 0.02 -0.00 -0.00 -0.02 -0.02 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 -0.07 0.00 -0.09 -0.26 -0.02 -0.16 0.02 0.06 0.07 0.17 0.25 0.14 -0.14 0.09 -0.27 -0.13 -0.16 -0.19 -0.02 -0.08 -0.32 0.00 0.27 0.30 0.25 0.08 0.24 0.06 0.04 0.40 -0.02 0.01 -0.00 -0.02 -0.00 0.00 0.01 -0.03 -0.01 0.02 -0.03 0.02 -0.00 0.00 0.01 -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 0.01 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.02 0.00 -0.02 0.01 -0.00 0.01 -0.01 0.00 0.00 0.01 0.00 0.01 0.01 0.00 0.01 0.01 -0.00 -0.00 0.00 -0.00 -0.01 -0.00 -0.00 0.04 0.01 -0.00 -0.05 -0.00 0.00 0.01 0.02 -0.00 -0.10 -0.10 0.01 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.08 0.01 -0.05 0.07 -0.02 0.01 -0.00 -0.00 -0.01 -0.04 -0.07 -0.03 0.02 -0.00 0.02 0.01 0.00 0.00 -0.00 0.00 0.01 0.02 0.03 0.01 0.02 0.02 0.02 0.01 -0.01 0.03 -0.09 -0.04 0.00 0.38 0.22 -0.03 0.35 0.34 -0.36 0.36 0.41 0.28 -0.00 0.01 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 -0.00 0.00 -0.00 0.00 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 0.06 0.00 0.05 0.01 0.01 0.01 0.00 0.01 -0.00 -0.07 -0.02 -0.09 -0.02 -0.03 -0.04 0.01 -0.01 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.01 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.24 0.02 -0.18 -0.31 -0.05 -0.21 -0.07 -0.13 -0.07 -0.04 -0.03 -0.04 0.33 -0.07 0.31 0.30 0.13 0.28 -0.02 0.11 0.39 0.05 0.18 0.15 0.14 0.09 0.13 0.03 0.00 0.21 -0.01 0.00 -0.00 -0.03 -0.02 -0.00 -0.01 -0.04 0.02 -0.01 -0.04 -0.01 -0.00 0.01 0.01 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 0.01 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.02 0.02 0.00 -0.01 -0.01 0.00 0.01 -0.00 0.00 0.05 -0.00 0.04 -0.05 -0.08 -0.05 0.00 0.01 -0.00 -0.03 -0.00 -0.01 0.05 0.06 0.05 0.03 0.00 -0.00 -0.03 -0.02 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 -0.10 0.01 -0.10 -0.30 -0.03 -0.19 0.11 0.25 0.19 0.33 0.43 0.28 0.08 0.01 0.02 0.11 -0.01 0.06 -0.02 -0.00 0.06 -0.12 -0.25 -0.15 -0.20 -0.23 -0.19 -0.01 0.01 -0.27 -0.02 0.01 -0.00 0.00 0.01 -0.00 0.05 -0.01 -0.04 0.05 -0.00 0.04 0.00 -0.01 -0.02 -0.00 0.02 0.01 -0.02 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 -0.02 0.01 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.10 0.06 -0.01 0.11 -0.08 0.01 0.04 0.09 -0.01 -0.01 -0.02 -0.02 -0.03 -0.02 -0.02 -0.21 -0.10 0.01 -0.01 0.00 -0.01 0.00 -0.01 -0.01 -0.03 0.24 -0.02 0.09 -0.12 0.01 -0.06 -0.04 0.00 -0.01 -0.10 0.01 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.01 -0.10 0.20 -0.22 0.18 0.09 -0.08 0.10 0.19 0.05 -0.19 0.16 -0.02 -0.01 0.00 0.10 -0.01 0.04 -0.01 -0.08 0.09 -0.05 -0.02 0.02 0.06 0.08 0.04 -0.08 0.07 0.07 0.41 0.22 -0.03 0.23 0.07 -0.01 -0.17 0.26 0.09 -0.17 0.23 -0.13 0.00 -0.02 0.01 -0.02 0.01 0.02 -0.02 0.02 -0.01 -0.01 0.00 0.02 -0.03 0.03 0.01 -0.01 0.00 0.04 0.00 -0.00 0.00 -0.01 0.00 -0.00 0.00 0.00 0.00 0.00 -0.01 -0.00 0.03 -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 -0.01 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.02 -0.00 0.05 -0.05 -0.06 0.00 0.01 -0.02 0.01 -0.02 -0.01 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -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 -0.01 -0.00 0.00 -0.01 -0.00 -0.00 0.01 -0.01 -0.00 0.01 -0.01 0.00 -0.02 0.11 0.00 0.01 0.17 0.12 -0.02 0.18 -0.07 -0.33 0.16 0.32 -0.34 0.46 0.17 -0.12 0.25 0.49 -0.00 0.00 -0.00 0.00 0.00 0.01 -0.00 -0.00 -0.00 -0.00 -0.04 -0.02 -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 -0.08 -0.01 -0.01 0.02 0.02 -0.01 -0.00 0.00 0.00 0.00 0.00 -0.02 0.00 0.02 0.00 -0.02 0.01 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.01 -0.00 0.00 0.01 0.00 -0.01 0.01 0.01 -0.01 -0.01 0.00 0.02 0.01 -0.00 -0.02 0.01 0.01 -0.02 0.01 -0.01 -0.07 0.39 0.05 0.07 0.52 0.34 0.02 0.56 -0.20 0.10 -0.05 -0.11 0.10 -0.15 -0.06 0.03 -0.08 -0.15 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.02 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.05 0.00 -0.00 0.00 0.00 -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 0.01 0.00 -0.01 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 0.01 0.00 0.07 0.71 -0.11 0.48 -0.00 0.12 -0.47 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 -0.00 -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 0.03 -0.01 -0.01 0.02 -0.00 -0.01 -0.00 0.00 0.03 -0.01 -0.06 0.01 0.00 -0.01 0.04 -0.03 0.00 -0.01 0.01 0.00 -0.01 -0.00 0.00 0.00 -0.02 0.00 -0.02 0.01 -0.00 0.01 0.00 -0.00 -0.00 0.02 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.28 -0.29 0.47 -0.23 0.46 0.33 -0.14 -0.06 0.09 0.06 -0.10 0.10 0.05 0.07 -0.14 0.16 -0.14 -0.06 -0.00 -0.07 0.13 0.07 0.04 -0.04 -0.03 0.02 -0.04 0.04 -0.03 0.02 -0.04 -0.02 -0.00 -0.10 -0.05 -0.01 0.11 -0.08 -0.07 0.11 -0.04 0.08 -0.00 0.02 -0.01 0.02 0.00 -0.01 0.01 -0.01 0.01 -0.01 0.01 0.01 -0.00 0.01 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 -0.01 -0.01 -0.00 0.00 -0.00 -0.00 -0.01 0.02 -0.00 -0.00 -0.00 -0.00 0.01 -0.01 0.00 0.00 -0.00 -0.01 -0.01 -0.00 0.01 0.00 -0.02 0.00 -0.00 -0.00 -0.00 -0.02 0.02 0.00 0.00 0.00 -0.00 -0.02 0.01 -0.00 0.02 0.01 -0.00 0.01 -0.03 0.00 -0.04 -0.01 -0.00 0.00 -0.01 -0.00 0.01 -0.03 0.06 -0.03 0.05 0.03 0.10 -0.02 -0.14 -0.04 0.13 -0.08 0.00 0.01 -0.01 0.01 -0.01 -0.01 0.00 -0.00 0.01 0.10 0.20 0.11 -0.10 -0.33 0.01 0.34 -0.22 -0.09 -0.05 -0.03 0.00 0.19 0.11 -0.01 -0.19 0.11 0.13 -0.19 0.08 -0.14 -0.07 0.33 0.08 0.29 -0.04 -0.21 0.34 -0.08 0.17 -0.04 0.02 0.01 0.02 0.01 0.01 0.01 0.05 -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 0.02 -0.04 0.00 -0.00 0.00 0.00 0.01 -0.01 0.00 -0.01 0.01 0.01 0.00 0.02 -0.05 -0.02 0.06 -0.01 0.00 -0.01 0.00 -0.00 -0.01 0.01 -0.00 -0.04 0.00 0.00 0.01 0.00 0.01 0.01 -0.00 0.01 0.01 -0.00 -0.03 -0.01 0.00 -0.00 -0.00 0.00 -0.04 0.04 -0.10 0.05 -0.06 -0.04 -0.32 0.06 0.40 0.19 -0.34 0.37 0.08 -0.00 0.05 -0.12 0.04 -0.02 0.01 0.14 -0.06 0.15 -0.00 -0.17 -0.05 0.22 -0.14 -0.04 0.05 0.15 -0.05 -0.02 0.00 0.04 0.03 -0.00 -0.05 0.01 0.04 -0.05 0.01 -0.04 -0.05 0.21 0.01 0.21 -0.04 -0.16 0.21 -0.09 0.12 -0.04 0.02 0.01 0.03 0.01 0.01 0.02 0.04 -0.02 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 0.01 -0.00 0.03 -0.04 0.00 0.01 0.00 -0.01 0.01 -0.00 -0.00 0.02 0.01 -0.00 -0.01 0.00 0.00 0.01 -0.01 -0.00 0.02 -0.04 0.00 -0.07 0.03 -0.00 0.04 0.03 -0.00 0.01 -0.04 0.00 0.02 0.01 0.01 -0.00 -0.01 0.00 -0.05 -0.04 0.06 -0.03 0.06 0.04 -0.03 -0.01 0.03 0.02 -0.01 0.01 0.05 0.05 -0.09 0.09 -0.09 -0.05 -0.00 -0.02 0.07 -0.06 -0.10 -0.03 0.05 0.13 0.01 -0.15 0.09 0.02 -0.17 -0.09 0.01 0.37 0.22 -0.02 -0.36 0.19 0.25 -0.36 0.14 -0.28 0.04 -0.22 -0.10 -0.16 0.02 0.12 -0.24 0.01 -0.11 -0.08 0.04 -0.01 0.06 -0.01 0.00 0.04 0.10 -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 -0.00 0.01 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.02 -0.02 -0.01 -0.00 0.01 -0.01 -0.00 -0.01 0.00 0.01 -0.04 0.00 -0.01 0.01 -0.01 0.01 0.01 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.02 0.00 0.01 0.00 0.01 -0.00 -0.10 -0.08 0.05 -0.07 0.11 0.10 -0.04 -0.01 0.02 0.02 -0.03 0.04 0.28 -0.05 0.22 -0.49 0.18 -0.05 0.05 0.55 -0.23 -0.02 0.07 0.11 -0.01 -0.20 0.06 0.13 -0.09 -0.08 0.00 0.00 -0.00 0.02 0.01 0.00 -0.02 0.02 0.01 -0.02 0.01 -0.01 0.02 -0.12 -0.10 -0.07 0.04 0.08 -0.18 0.01 -0.08 0.05 -0.03 -0.01 -0.05 -0.00 -0.01 -0.03 -0.06 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 -0.01 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 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.01 -0.00 0.01 -0.01 0.00 -0.01 -0.01 0.00 -0.00 0.01 -0.00 0.00 -0.00 0.00 -0.02 -0.05 0.02 -0.00 -0.00 -0.00 -0.01 0.01 0.00 0.02 -0.00 -0.02 -0.01 0.01 -0.02 0.02 -0.01 0.04 -0.06 0.03 0.00 0.01 0.05 -0.03 -0.02 0.00 0.02 0.00 -0.03 0.02 0.01 -0.01 -0.02 0.03 0.02 -0.00 -0.06 -0.04 0.00 0.06 -0.03 -0.04 0.06 -0.02 0.05 0.00 -0.02 -0.01 -0.02 0.01 0.02 -0.02 0.01 -0.02 -0.44 0.24 0.05 0.47 -0.03 0.05 0.25 0.56 -0.32 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 -0.01 0.02 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.01 -0.01 -0.01 0.00 -0.03 0.02 0.01 -0.02 0.00 0.00 -0.01 0.00 0.02 -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 -0.01 0.00 -0.04 0.00 -0.00 -0.00 -0.05 -0.05 0.05 -0.06 0.08 0.06 0.15 0.02 -0.10 -0.05 0.16 -0.13 0.11 -0.01 0.07 -0.16 0.05 -0.03 0.02 0.20 -0.07 -0.07 -0.18 -0.12 0.07 0.28 -0.03 -0.27 0.17 0.07 -0.01 -0.01 0.00 0.03 0.02 0.00 -0.02 0.02 0.02 -0.02 0.01 -0.02 -0.00 0.07 0.52 -0.19 -0.19 -0.04 0.42 0.14 0.11 -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 -0.01 -0.00 0.00 -0.00 0.01 -0.02 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.01 0.01 0.00 0.00 0.03 -0.03 -0.01 0.03 -0.00 -0.00 0.01 0.00 -0.01 0.02 -0.01 -0.00 -0.01 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.02 0.01 -0.04 -0.00 -0.00 -0.00 0.02 0.03 -0.04 0.06 -0.05 -0.03 -0.20 -0.02 0.15 0.07 -0.21 0.17 -0.03 0.03 -0.07 0.10 -0.06 -0.01 -0.01 -0.09 0.06 -0.06 0.11 0.18 -0.02 -0.33 0.11 0.20 -0.14 -0.15 -0.01 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.01 -0.01 -0.00 -0.01 0.05 -0.21 0.47 -0.43 -0.16 0.14 0.15 0.20 -0.03 0.00 -0.00 0.02 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 -0.01 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 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.04 -0.00 -0.04 0.00 -0.00 0.00 0.00 0.00 0.00 0.01 0.00 -0.01 -0.00 0.01 -0.01 0.01 0.00 -0.01 0.00 -0.01 -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 0.01 0.01 0.00 -0.01 0.01 0.01 -0.01 0.00 -0.01 -0.00 0.00 -0.02 0.01 0.01 0.00 -0.02 -0.00 -0.01 0.22 -0.20 0.60 0.40 0.44 0.23 0.01 -0.27 -0.26 -0.00 0.00 -0.00 -0.00 -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 -0.04 -0.00 0.01 -0.00 0.00 0.00 -0.01 0.01 -0.00 -0.04 -0.01 0.03 0.00 0.00 -0.00 -0.00 0.01 -0.00 0.01 -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 0.12 0.07 -0.06 0.12 -0.09 0.01 0.05 0.03 -0.02 -0.03 0.00 -0.04 0.52 0.26 -0.35 0.11 -0.40 -0.33 0.02 0.31 0.27 -0.08 -0.04 0.04 0.03 -0.03 0.05 -0.04 0.02 -0.04 0.03 0.02 -0.00 -0.04 -0.02 -0.01 0.04 -0.02 -0.03 0.03 -0.01 0.03 -0.01 0.04 -0.04 0.06 0.01 -0.03 0.01 -0.02 0.02 -0.01 0.00 -0.01 -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 -0.00 -0.00 0.00 -0.00 -0.00 0.01 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.01 -0.00 0.01 -0.02 -0.02 0.01 -0.00 -0.01 0.00 -0.00 -0.00 0.00 -0.04 -0.02 0.03 0.00 0.01 -0.00 0.00 -0.00 0.00 -0.01 -0.00 0.00 -0.00 -0.00 0.00 0.02 0.01 -0.01 -0.00 -0.00 0.00 0.07 0.03 -0.03 0.02 -0.04 -0.03 0.10 0.03 -0.06 0.00 0.13 -0.01 0.07 0.03 -0.05 0.00 -0.05 -0.04 0.00 0.05 0.03 0.52 0.25 -0.32 -0.24 0.18 -0.35 0.30 -0.15 0.27 0.02 0.01 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.03 -0.16 0.08 -0.20 -0.01 0.11 -0.09 0.08 -0.07 -0.00 0.00 -0.00 0.01 -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 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.12 -0.22 0.03 -0.01 -0.01 0.00 -0.02 0.02 -0.00 0.02 0.03 -0.02 -0.04 0.00 0.02 -0.13 0.26 -0.03 -0.01 0.01 -0.00 -0.00 0.01 -0.00 0.04 -0.08 0.01 0.08 -0.09 0.01 -0.05 0.04 -0.00 0.00 0.01 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.51 -0.17 0.13 -0.01 0.21 0.16 0.46 0.30 -0.18 -0.16 0.14 -0.20 -0.01 0.01 -0.00 0.03 -0.01 0.00 -0.01 -0.04 -0.03 0.01 0.02 -0.01 -0.02 -0.03 -0.00 0.05 -0.01 0.03 0.02 0.08 -0.01 0.05 0.04 -0.00 -0.05 -0.01 0.04 -0.05 -0.02 -0.04 0.00 -0.01 -0.00 -0.01 0.00 0.01 -0.01 0.01 -0.01 0.00 -0.00 -0.00 0.01 -0.01 -0.00 0.00 0.00 -0.01 -0.00 -0.00 0.00 0.01 0.01 -0.00 -0.01 -0.01 0.00 -0.00 -0.01 -0.00 -0.01 0.00 0.00 0.06 -0.00 0.00 0.11 0.07 -0.01 0.17 -0.03 0.00 -0.00 -0.01 0.00 -0.03 -0.01 0.01 -0.26 -0.07 0.01 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.33 -0.07 0.01 -0.17 -0.08 0.01 0.37 0.16 -0.02 0.04 0.04 -0.00 0.00 0.01 -0.00 0.00 -0.00 -0.00 -0.02 -0.01 -0.00 -0.02 0.01 0.01 0.14 0.10 -0.06 -0.05 0.06 -0.05 0.02 -0.01 0.03 -0.01 0.01 0.00 -0.00 0.02 -0.00 0.01 0.02 0.01 -0.00 -0.02 0.00 0.02 -0.01 0.03 -0.43 -0.30 0.03 -0.28 -0.16 0.02 0.23 -0.02 -0.14 0.23 0.00 0.13 0.01 -0.04 0.00 -0.03 -0.01 0.01 -0.02 -0.01 -0.00 0.02 -0.01 0.00 -0.00 0.01 0.00 -0.00 -0.02 0.00 0.00 -0.00 0.00 -0.00 0.01 -0.00 -0.03 -0.04 0.01 0.00 -0.01 -0.00 -0.00 -0.00 0.00 -0.00 -0.05 0.01 0.05 -0.29 0.03 0.16 -0.29 0.03 0.04 0.01 -0.00 -0.01 -0.02 0.00 -0.01 0.23 -0.03 -0.01 0.00 0.00 0.00 0.01 -0.00 -0.22 0.27 -0.03 -0.01 0.54 -0.05 -0.01 -0.23 0.02 0.02 -0.02 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.20 -0.07 0.04 -0.08 0.10 0.03 0.12 0.08 -0.02 -0.01 0.11 -0.03 -0.01 0.01 -0.00 0.01 0.00 0.01 -0.01 -0.02 -0.05 -0.00 -0.01 -0.02 -0.01 0.00 -0.02 0.00 0.01 0.04 0.19 -0.16 0.01 -0.18 -0.15 0.02 0.11 0.05 -0.08 0.12 0.06 0.06 0.00 -0.02 0.01 -0.03 -0.00 0.01 -0.02 0.00 -0.01 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 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 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 -0.04 -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 0.00 0.00 0.00 0.01 -0.04 -0.01 0.00 0.01 -0.01 0.02 -0.03 0.02 0.01 -0.00 -0.01 0.00 -0.01 -0.00 0.01 0.01 -0.01 -0.02 0.00 0.00 0.26 -0.28 0.20 -0.49 0.13 0.36 0.33 0.54 -0.13 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.03 -0.00 0.00 0.02 -0.02 0.02 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 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.03 0.01 -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 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.02 0.05 0.02 0.00 0.00 -0.01 -0.02 0.02 -0.01 0.01 -0.00 -0.01 -0.10 0.42 0.15 -0.22 -0.42 0.39 0.63 -0.06 -0.04 0.01 -0.01 0.01 -0.01 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 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.03 -0.04 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 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -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 0.00 0.01 0.04 0.01 -0.00 -0.02 0.02 -0.03 -0.01 0.01 0.03 0.35 0.55 0.04 -0.05 -0.29 0.56 -0.37 0.07 -0.15 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -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 -0.00 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 -0.00 0.00 0.00 -0.00 -0.00 0.00 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 0.28 -0.41 0.04 -0.35 -0.04 -0.49 -0.35 0.06 0.50 -0.01 -0.00 0.00 0.00 -0.00 0.01 0.00 -0.00 -0.01 -0.01 -0.01 -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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.02 -0.04 -0.04 -0.01 0.02 -0.03 -0.00 0.00 -0.00 -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 -0.18 0.73 0.29 -0.09 -0.20 0.17 0.28 -0.29 0.23 -0.16 0.05 0.11 0.02 -0.09 -0.03 0.01 0.02 -0.02 0.05 -0.00 -0.01 -0.02 0.02 -0.02 0.01 -0.00 -0.00 0.03 0.05 -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 -0.02 -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 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.02 -0.04 0.01 -0.00 0.00 0.00 -0.00 0.01 0.01 -0.00 -0.00 0.00 0.02 -0.02 0.02 -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 -0.01 0.00 -0.03 0.01 0.02 0.01 0.02 -0.01 -0.00 0.00 -0.00 0.00 -0.01 0.00 -0.01 -0.00 -0.01 -0.01 0.00 0.01 0.68 0.09 -0.02 -0.27 0.28 -0.43 -0.16 0.12 0.37 -0.02 -0.04 -0.00 0.00 0.02 -0.04 0.02 -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 0.01 -0.02 -0.02 0.01 -0.03 0.05 -0.00 0.00 -0.00 -0.00 0.01 0.00 0.00 0.01 -0.01 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.10 0.42 0.17 -0.06 -0.13 0.11 -0.45 0.48 -0.38 0.30 -0.09 -0.21 0.02 -0.09 -0.03 0.01 0.02 -0.02 0.01 -0.00 -0.00 0.07 -0.08 0.06 -0.05 0.02 0.03 -0.03 -0.05 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 0.00 -0.00 -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 0.03 -0.02 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.07 -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 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.01 0.01 -0.00 -0.01 0.01 -0.14 0.15 -0.12 -0.25 0.07 0.18 0.00 -0.01 -0.00 -0.00 -0.01 0.01 -0.01 0.00 0.00 0.04 -0.07 0.06 0.53 -0.16 -0.39 0.29 0.52 -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 0.02 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 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 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 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.07 -0.04 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 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.04 -0.14 -0.06 -0.11 -0.22 0.20 -0.00 0.00 -0.00 -0.01 0.00 0.01 -0.04 0.08 0.04 0.23 0.47 -0.44 0.61 -0.07 -0.03 -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 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.01 -0.09 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 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 -0.02 0.43 0.05 0.55 -0.42 0.06 0.56 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.06 0.02 0.03 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.05 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 -0.01 -0.00 0.00 0.00 -0.00 0.13 -0.14 0.12 0.58 -0.16 -0.42 -0.00 0.01 0.01 0.00 0.01 -0.01 -0.00 0.00 0.00 -0.29 0.29 -0.22 0.10 -0.04 -0.08 0.20 0.33 -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 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.02 0.04 -0.03 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.05 -0.05 -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 0.02 -0.07 -0.03 -0.21 -0.42 0.38 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.13 0.60 0.22 0.01 -0.00 -0.01 -0.43 0.03 0.02 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 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.04 0.07 -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 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.38 -0.58 -0.05 -0.04 -0.31 0.63 -0.03 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 0.01 0.03 -0.01 0.03 -0.02 -0.01 0.00 0.00 0.00 -0.00 0.03 -0.00 0.04 -0.04 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 -0.01 0.01 0.00 0.00 0.00 0.03 -0.13 -0.05 -0.12 -0.25 0.23 -0.12 0.12 -0.10 -0.24 0.07 0.18 0.07 -0.28 -0.11 -0.07 -0.13 0.13 0.04 0.00 -0.00 -0.34 0.35 -0.27 -0.20 0.05 0.16 0.08 0.12 -0.03 -0.00 0.00 0.00 0.02 -0.03 0.00 0.01 0.00 0.01 0.01 -0.00 -0.01 -0.29 -0.04 0.01 -0.13 0.14 -0.22 -0.02 0.02 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 -0.01 -0.05 0.02 0.01 -0.01 -0.00 -0.00 -0.00 -0.00 0.01 -0.05 0.00 0.01 -0.02 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.01 -0.01 0.00 0.04 -0.01 0.02 -0.00 -0.00 0.00 -0.05 0.22 0.09 0.18 0.36 -0.33 -0.07 0.07 -0.06 -0.10 0.03 0.08 -0.10 0.42 0.16 0.11 0.19 -0.19 -0.07 -0.00 0.01 -0.13 0.14 -0.11 -0.08 0.02 0.06 0.03 0.05 -0.01 0.00 -0.00 -0.00 -0.06 0.09 -0.01 -0.03 -0.01 -0.04 -0.02 0.00 0.04 -0.34 -0.05 0.01 -0.16 0.17 -0.27 -0.02 0.02 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 -0.00 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 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.07 -0.06 0.01 -0.01 0.00 -0.00 -0.00 -0.00 0.00 0.01 -0.03 -0.01 -0.02 -0.05 0.04 -0.01 0.01 -0.01 -0.02 0.00 0.01 0.01 -0.06 -0.02 -0.01 -0.03 0.03 0.01 0.00 -0.00 -0.02 0.03 -0.02 -0.02 0.00 0.01 0.00 0.00 -0.00 0.01 -0.02 0.00 -0.47 0.71 -0.07 -0.20 -0.04 -0.29 -0.18 0.02 0.28 0.08 0.01 -0.00 0.04 -0.04 0.06 0.00 -0.00 -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 -0.02 0.01 0.03 -0.01 -0.00 0.00 0.00 0.00 0.00 -0.02 0.00 0.03 -0.03 0.01 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.01 0.01 -0.00 -0.06 0.02 -0.02 0.00 -0.00 0.00 -0.02 0.08 0.03 0.06 0.11 -0.10 -0.11 0.11 -0.09 -0.20 0.06 0.14 -0.03 0.14 0.05 0.03 0.06 -0.06 -0.02 -0.00 0.00 -0.28 0.29 -0.23 -0.17 0.04 0.13 0.06 0.08 -0.02 -0.00 0.00 -0.00 0.05 -0.07 0.01 0.02 0.00 0.03 0.02 -0.00 -0.03 0.50 0.07 -0.02 0.24 -0.26 0.41 0.03 -0.03 -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 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.08 0.01 -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 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -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 0.13 0.22 0.00 -0.04 -0.14 0.26 0.83 -0.17 0.35 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.03 -0.00 -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 0.00 -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 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.21 -0.03 -0.01 0.19 -0.19 0.28 -0.34 0.24 0.79 0.00 0.00 -0.00 -0.00 -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 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.04 -0.08 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 -0.49 0.86 -0.08 -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 16 15 8 8 8 7 7 7 6 6 6 6 6 6 6 6 6 6 6 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 298.150 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 34 35 36 37 38 39 16 15 8 8 8 7 7 7 6 6 6 6 6 6 6 6 6 6 6 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 31.97207 30.97376 15.99491 15.99491 15.99491 14.00307 14.00307 14.00307 12.00000 12.00000 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 305.09630 0.99993 -0.01046 0.00589 0.01034 0.99976 0.0193 -0.00609 -0.01923 0.9998 asymmetric 1 0.02226 0.01044 0.00822 0.46381 0.21752 0.17122 832199.9 30.33 49.34 54.70 77.88 89.90 95.34 105.21 111.84 127.97 137.01 158.17 183.61 233.57 236.25 261.99 277.11 301.41 333.39 343.07 350.36 379.45 423.51 449.62 466.68 499.53 556.59 573.95 604.69 636.68 705.34 770.36 811.59 832.39 870.79 891.17 967.97 1014.58 1134.85 1142.46 1154.18 1156.67 1170.16 1173.93 1189.94 1236.94 1356.09 1402.35 1444.01 1471.45 1477.73 1511.81 1519.88 1552.96 1571.92 1578.77 1598.27 1608.10 1681.49 1686.86 1688.77 1717.10 1719.97 1773.20 1781.49 1854.89 1929.91 1939.74 1970.41 1990.51 2014.04 2027.76 2032.28 2037.92 2097.01 2116.86 2121.45 2123.86 2131.42 2136.94 2138.98 2142.54 2145.49 2147.00 2151.43 2155.73 2159.01 2163.86 2171.37 2256.19 2283.15 2352.64 4349.07 4350.90 4361.60 4364.72 4368.33 4370.60 4384.88 4432.04 4435.51 4449.14 4460.46 4463.96 4469.71 4480.55 4482.29 4483.24 4483.95 4519.48 4525.35 4638.46 0.316968 0.339616 0.340561 0.262599 -1560.779148 -1560.756500 -1560.755556 -1560.833518 213.113 79.452 164.085 0.000 0.000 0.000 0.889 2.981 43.043 0.889 2.981 34.186 211.335 73.491 86.856 1 0.593 1.985 6.530 2 0.594 1.983 5.564 3 0.594 1.982 5.360 4 0.596 1.976 4.660 5 0.597 1.972 4.377 6 0.598 1.970 4.261 7 0.599 1.967 4.067 8 0.599 1.964 3.947 9 0.602 1.957 3.683 10 0.603 1.953 3.550 11 0.606 1.941 3.270 12 0.611 1.926 2.982 13 0.622 1.889 2.522 14 0.623 1.886 2.501 15 0.630 1.864 2.307 16 0.635 1.850 2.203 17 0.642 1.826 2.048 18 0.653 1.792 1.866 19 0.656 1.782 1.814 20 0.659 1.773 1.777 21 0.670 1.739 1.637 22 0.689 1.684 1.449 23 0.701 1.650 1.349 24 0.709 1.627 1.288 25 0.725 1.581 1.179 26 0.755 1.498 1.012 27 0.765 1.472 0.967 28 0.783 1.426 0.891 29 0.802 1.377 0.819 30 0.846 1.272 0.683 31 0.890 1.172 0.575 32 0.920 1.109 0.516 33 0.935 1.078 0.488 34 0.964 1.021 0.441 35 0.979 0.991 0.417 0.101928e+26 25.008292 57.583720 0.736913e+10 9.867416 22.720565 0.100000e+01 0.000000 0.000000 0.209464e+09 8.321109 19.160062 0.660339e+07 6.819767 15.703093 ./ancestor::cml:module[@dictRef='cc:finalization']/cml:molecule[@id='mol9999'] 0.5115 -0.0599 -1.1249 1.2372 -119.5011 -114.5959 -134.8666 -5.0382 1.1456 5.0269 3.4868 8.3920 -11.8788 -5.0382 1.1456 5.0269 -55.6336 12.8256 -14.4554 -9.4364 9.7029 1.4819 -2.0890 -3.5260 -12.2595 -21.1122 -5358.8619 -2443.2254 -788.2528 -178.7270 -29.9975 20.8934 10.5384 25.1026 16.1167 -1260.5631 -1100.8307 -555.7627 61.2518 21.2227 4.2294 (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A) (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(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 -1561.0961167 3.379E-9 3.082E-6 0.3169682 0.3396164 -1560.7565003 -1560.7555561 -1560.8335181 2.2583002,5.914039,-8.1723392,3.6519206,0.7802895,-4.8134524 C01 [X(C11H20N3O3P1S1)] -0.2015653 0.0013653 0.4430486 -0.5162822 -0.040665 0.0102287 0.1076389 -0.5618032 -0.2393025 0.0920652 -0.2413893 -0.7804539 2.8783904 0.3047623 -0.2325273 -0.6222207 2.1014346 0.356419 0.0022906 0.1802645 2.3217066 -2.5453322 0.4343704 0.2201819 0.757483 -0.8605648 -0.1789762 0.1609761 -0.145316 -0.4654878 -0.6338097 0.0476485 -0.0003595 0.3025559 -1.1670085 0.4505556 -0.1192518 0.5167929 -1.2599461 -1.441341 -0.6666624 0.1245056 -0.6544796 -0.9985822 0.0835143 0.0976254 0.0958108 -0.7485945 -0.8698571 -0.4415934 -0.1452333 -0.5188787 -1.5126839 0.038818 -0.0961684 0.0125657 -0.3452412 -0.6298026 0.2629557 0.0236438 -0.4847 -1.5211053 -0.0230431 -0.0462581 -0.0743832 -0.2579688 -1.2974734 -0.5996594 0.0380685 -0.3143305 -0.9804082 0.016249 0.0292732 0.0113216 -0.190924 0.7750749 0.2685045 0.1435677 0.0970178 0.1683137 -0.013673 0.0853563 -0.075564 0.2818885 0.2291334 -0.2964022 0.1196095 -0.1530857 0.6330757 -0.0805728 0.1020322 -0.0096095 0.248695 0.9348327 0.7046869 0.004035 0.9605455 2.0786244 0.0244735 0.0667656 0.0604031 0.2196504 0.0275461 -0.0571007 -0.0512935 0.0021732 0.0701406 0.0276579 -0.0801678 0.0505719 -0.0548542 0.0773223 0.0367685 -0.0732219 -0.006 0.0120032 0.0069949 -0.0930428 0.0269149 -0.0466169 1.1359681 -0.189703 -0.0443843 0.2476194 0.9573991 0.0178978 -0.0009681 0.0413014 0.0348282 2.3533509 -0.3140965 -0.1740677 -0.2216283 1.1932635 0.0227839 0.0444295 -0.0165127 0.1818017 -1.0873196 0.3246199 0.0636429 0.3751866 -0.5442288 -0.0235512 0.0023614 0.0003235 -0.1801147 -0.0713164 0.2569554 0.0110442 0.0938424 -0.0130385 -0.0020289 0.0054859 -0.0056654 0.0675132 0.3215381 -0.1636636 0.1049225 -0.1959685 0.782925 -0.4201156 0.0435644 -0.1104077 0.3074884 0.518551 0.2084146 -0.0918207 0.3100648 0.5292345 -0.1488377 -0.4099656 -0.3463535 0.4061916 -0.0095147 -0.0511074 -0.0269501 -0.0927727 -0.115428 0.1052336 -0.0097339 0.0829397 -0.0151229 -0.0250549 0.0026795 -0.0094161 0.1007656 0.0350801 -0.076053 0.0071897 -0.0472135 -0.0267251 -0.0161483 -0.0781727 -0.0923132 -0.0619878 -0.102738 -0.0481387 -0.0731389 -0.0512857 -0.0078515 0.0057957 0.087514 0.035734 0.0095108 0.026366 0.0524429 0.0397724 0.0320287 -0.0198545 0.0695539 -0.0294919 0.0229799 -0.0013287 -0.0596987 0.0867783 0.0141448 0.0466336 0.0180741 0.037308 0.084687 0.0609394 0.0395388 -0.0482509 -0.0981344 0.0145141 -0.0652813 -0.0233873 -0.2160096 -0.0690176 -0.0273708 -0.0385992 0.0694729 -0.0033373 0.0040802 -0.0172705 0.0428921 0.0205065 -0.036735 -0.0590876 -0.0765214 -0.0045793 -0.0636275 -0.0524146 -0.0421456 0.0165696 -0.088353 -0.0712672 0.1205414 -0.0182709 0.056957 0.0286767 0.0661266 0.0449103 -0.0223246 0.004908 0.1537541 -0.010249 0.1146086 -0.1176249 0.0132698 0.0242882 -0.0054283 0.0347632 0.0670047 -0.0559247 -0.0044366 -0.0522768 -0.0208628 -0.0019861 0.0004815 -0.0050634 0.1563859 0.0030221 -0.1292204 -0.0034815 -0.0229721 -0.0969005 -0.0054511 -0.0000709 -0.0030135 0.0794194 0.0086187 0.0334808 -0.0651738 0.0179903 0.023345 -0.0346229 -0.096801 0.0189392 -0.0267636 0.0100535 0.031223 0.0702305 0.0138621 0.0206488 0.0347243 0.0979493 -0.016759 -0.0289654 -0.1315515 0.0762862 -0.0395587 0.0026096 -0.0014865 0.0456007 0.0210852 0.0038384 0.0848168 0.0436055 -0.031386 -0.0586349 -0.0055081 -0.0223597 0.0143726 -0.06574 -0.0909811 0.0201251 0.0722916 -0.0096634 0.0780367 0.0230436 0.018807 0.0429108 0.050331 0.0805373 -0.0657603 0.0067363 0.1013806 -0.0131343 0.0139473 -0.0737155 0.0470225 0.0505353 0.0519558 0.0433274 0.0803375 -0.0013629 -0.004251 0.0202198 0.0050229 -0.0765101 0.0867263 0.0139122 -0.0490455 -0.1022835 -0.0877963 -0.0249463 -0.068694 0.0409538 0.021566 -0.0657286 -0.0023219 0.0498659 241.7834292|3.4634273|231.783584|-0.333889|-0.0920836|161.009527 -0.000001209 -0.000003788 -0.000000862 0.000002301 -0.000000706 0.000000770 0.000001323 0.000004104 0.000002078 0.000000821 -0.000002672 0.000000078 -0.000002032 0.000001601 -0.000001955 -0.000002438 -0.000005912 -0.000006142 0.000002473 -0.000012168 -0.000000903 0.000009699 -0.000003431 -0.000001079 0.000004175 0.000000324 -0.000000704 -0.000002075 0.000004003 0.000003131 -0.000011510 0.000015461 0.000005645 0.000000491 -0.000000927 0.000002455 0.000000544 0.000000939 0.000000703 0.000007220 0.000008163 0.000000382 -0.000004763 -0.000001608 0.000000989 -0.000002842 -0.000000444 -0.000003368 -0.000001721 -0.000003023 -0.000002962 -0.000000345 0.000000721 0.000001334 -0.000000088 -0.000001217 0.000000710 -0.000001678 0.000000785 0.000002682 -0.000000047 0.000000977 -0.000000849 -0.000000345 -0.000000558 0.000001042 -0.000000377 -0.000001214 -0.000000597 -0.000000022 0.000000448 -0.000000649 -0.000000438 0.000000354 -0.000000082 -0.000000205 0.000000299 0.000000173 -0.000000439 0.000000009 0.000000533 -0.000000778 0.000000524 0.000000813 -0.000000755 0.000000357 0.000000608 0.000001310 -0.000000507 -0.000001788 0.000001332 0.000000533 -0.000000335 0.000001512 0.000000638 -0.000000853 0.000001432 0.000001593 -0.000001036 -0.000000566 0.000000418 0.000000712 -0.000000632 0.000000005 0.000000350 -0.000000420 0.000000744 0.000000241 0.000000845 -0.000000822 0.000001427 -0.000000660 -0.000001230 -0.000001053 0.000000907 -0.000002773 -0.000001639 285.1747609999998 AuxInfo=1/0/N:9;10;11;12;13;14;15;16;17;18;19;6;7;8;3;4;5;2;1;20;21;22;23;24;25;26;27;28;29;30;31;32;33;34;35;36;37;38;39/rA:39nS0P0O0O0O0N0N0N0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:2.2858,-1.0441,-1.6825;2.3982,-.0033,-.0548;1.396,1.29,.1041;2.1908,-.7368,1.3497;3.791,.7576,.2004;-2.4471,-1.2479,.0186;-2.6742,1.065,.091;-.5205,.0186,.08;-3.9015,-1.4032,.0557;-1.6163,-2.4499,-.1012;-1.8741,-.0172,.0639;-4.5365,-1.3474,-1.3355;-1.1289,-2.9656,1.2547;-2.0771,2.2628,.1244;.026,1.2091,.095;-.6898,2.4043,.1186;-2.9879,3.459,.1606;2.5394,-2.1199,1.5604;4.3792,1.5995,-.8117;-4.1129,-2.3627,.5368;-4.3177,-.6184,.6871;-2.2195,-3.2092,-.6061;-.7636,-2.2268,-.7433;-4.3511,-.3721,-1.7897;-4.1217,-2.1199,-1.9892;-5.6179,-1.5001,-1.2701;-.504,-2.2105,1.735;-1.97,-3.1947,1.9153;-.5376,-3.8773,1.1265;-.1921,3.3623,.1373;-2.429,4.3958,.1799;-3.643,3.4528,-.7145;-3.6294,3.4091,1.0445;3.6244,-2.244,1.5464;2.0801,-2.7485,.796;2.1466,-2.3744,2.5428;3.763,2.4888,-.9641;4.4866,1.0505,-1.7499;5.3571,1.8863,-.4298; Gaussian 16 5-Feb-2024 Gaussian 16 3-Jul-2019 EM64L-G16RevC.01 111 C1[X(C11H20N3O3PS)] 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 0 0 0 0 0 0 285.1747609999998 AuxInfo=1/0/N:9;10;11;12;13;14;15;16;17;18;19;6;7;8;3;4;5;2;1;20;21;22;23;24;25;26;27;28;29;30;31;32;33;34;35;36;37;38;39/rA:39nS0P0O0O0O0N0N0N0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:2.2858,-1.0441,-1.6825;2.3982,-.0033,-.0548;1.396,1.29,.1041;2.1908,-.7368,1.3497;3.791,.7576,.2004;-2.4471,-1.2479,.0186;-2.6742,1.065,.091;-.5205,.0186,.08;-3.9015,-1.4032,.0557;-1.6163,-2.4499,-.1012;-1.8741,-.0172,.0639;-4.5365,-1.3474,-1.3355;-1.1289,-2.9656,1.2547;-2.0771,2.2628,.1244;.026,1.2091,.095;-.6898,2.4043,.1186;-2.9879,3.459,.1606;2.5394,-2.1199,1.5604;4.3792,1.5995,-.8117;-4.1129,-2.3627,.5368;-4.3177,-.6184,.6871;-2.2195,-3.2092,-.6061;-.7636,-2.2268,-.7433;-4.3511,-.3721,-1.7897;-4.1217,-2.1199,-1.9892;-5.6179,-1.5001,-1.2701;-.504,-2.2105,1.735;-1.97,-3.1947,1.9153;-.5376,-3.8773,1.1265;-.1921,3.3623,.1373;-2.429,4.3958,.1799;-3.643,3.4528,-.7145;-3.6294,3.4091,1.0445;3.6244,-2.244,1.5464;2.0801,-2.7485,.796;2.1466,-2.3744,2.5428;3.763,2.4888,-.9641;4.4866,1.0505,-1.7499;5.3571,1.8863,-.4298; oldchk=/home/apulgar/almacen/pesticidas/G1_new/Pirimiphos-methyl/gaussian/gas/C #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 Pirimiphos-methyl CONF1 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 34 35 36 37 38 39 32 31 16 16 16 14 14 14 12 12 12 12 12 12 12 12 12 12 12 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 31.9720718 30.9737634 15.9949146 15.9949146 15.9949146 14.0030740 14.0030740 14.0030740 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 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 1 0 0 0 2 2 2 0 0 0 0 0 0 0 0 0 0 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 13.6000000 12.9400000 5.6000000 5.6000000 5.6000000 4.5500000 4.5500000 4.5500000 3.6000000 3.6000000 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 573 A 554 A 554 872 573 81 81 1892.4631338406 39 39 39 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 -0.0407945984 0.000000 1.935329 0.000000 3.071144 1.643878 0.000000 3.049209 1.597991 2.508207 0.000000 3.009507 1.607458 2.455416 2.472800 0.000000 5.033401 5.003124 4.606217 4.852093 6.555060 0.000000 5.674100 5.185752 4.076416 5.338440 6.473469 2.325168 0.000000 3.480075 2.921922 2.300007 3.087714 4.376074 2.306369 2.394482 0.000000 6.436867 6.454362 5.942990 6.263775 7.991575 1.463203 2.756719 3.667868 0.000000 4.438810 4.701511 4.806519 4.419650 6.294254 1.466069 3.675699 2.706816 2.518467 0.000000 4.626991 4.273992 3.521922 4.323700 5.719503 1.358248 1.346179 1.354159 2.455874 2.451834 0.000000 6.837881 7.178979 6.650048 7.269095 8.725724 2.491816 3.364967 4.471890 1.530230 3.356620 3.288780 0.000000 4.896898 4.788593 5.080249 3.999604 6.259326 2.493213 4.470781 3.264271 3.400931 1.530318 3.265901 4.575963 0.000000 5.765032 5.019543 3.606807 5.358526 6.058598 3.531723 1.338779 2.731574 4.095431 4.740545 2.289869 4.605844 5.432553 0.000000 3.652797 2.668239 1.372351 3.169673 3.793434 3.486958 2.704092 1.310060 4.717125 4.015448 2.261728 5.422095 4.484051 2.352535 0.000000 4.897898 3.919456 2.364783 4.436158 4.774528 4.054158 2.394201 2.391984 4.981531 4.946657 2.696153 5.566584 5.506238 1.394517 1.393343 0.000000 7.175420 6.406553 4.891422 6.770322 7.297481 4.739958 2.415415 4.234476 4.948332 6.071616 3.651569 5.266671 6.777001 1.503885 3.761668 2.528933 0.000000 3.426055 2.666185 3.880123 1.441806 3.419883 5.291749 6.283662 4.015945 6.653097 4.487691 5.112700 7.684510 3.776942 6.525494 4.421121 5.742312 7.977098 0.000000 3.482725 2.658261 3.135969 3.862579 1.442003 7.442796 7.131008 5.225109 8.850946 7.269699 6.518016 9.404742 7.446471 6.557463 4.463707 5.216123 7.660112 4.779724 0.000000 6.899833 6.950683 6.624016 6.560592 8.504232 2.070379 3.744046 4.334134 1.094004 2.578356 3.276761 2.171508 3.127843 5.070491 5.484888 5.883586 5.941290 6.735035 9.467540 0.000000 7.028698 6.784737 6.052133 6.543225 8.239061 2.083869 2.427018 3.897845 1.089810 3.357595 2.592505 2.161010 3.999991 3.693020 4.749596 4.756216 4.320957 7.073716 9.099582 1.762672 0.000000 5.113154 5.648511 5.815442 5.421155 7.246567 2.070931 4.354513 3.711607 2.555173 1.093379 3.279768 3.060507 2.170610 5.522404 5.005557 5.863138 6.755950 5.341162 8.167601 2.368067 3.575879 0.000000 3.402842 3.926190 4.213033 3.915223 5.526419 2.091154 3.896503 2.403866 3.341211 1.090547 2.601345 3.919089 2.161378 4.757614 3.623750 4.711157 6.171926 4.028422 6.410415 3.588247 4.155120 1.761779 0.000000 6.671729 6.978531 6.275239 7.265358 8.457643 2.768059 2.900790 4.280409 2.161130 3.827229 3.114058 1.091719 5.135865 3.972152 5.021165 4.975488 4.509923 7.858579 9.003485 3.071054 2.489188 3.740795 4.171968 0.000000 6.504471 7.122662 6.815794 7.273882 8.699803 2.756101 4.070213 4.671569 2.178018 3.154522 3.699778 1.093703 4.493915 5.277916 5.712314 6.057190 6.085342 7.547892 9.353451 2.537613 3.074955 2.591887 3.583442 1.774037 0.000000 7.927583 8.244749 7.672532 8.271745 9.787117 3.431989 4.134952 5.487486 2.170965 4.275720 4.241988 1.094053 5.354787 5.351759 6.407604 6.438847 5.792752 8.656671 10.476639 2.504775 2.509662 3.861481 4.936637 1.773942 1.771944 0.000000 4.563171 4.061754 4.303842 3.095502 5.441652 2.765517 4.259253 2.776344 3.874908 2.160029 3.078957 5.141360 1.091450 5.007874 3.829351 4.893152 6.386789 3.049785 6.696856 3.805679 4.263467 3.069371 2.491897 5.531995 5.192834 5.973873 0.000000 5.973343 5.757365 5.892564 4.865477 7.193754 2.759588 4.687111 3.974230 3.224716 2.178534 3.678734 4.535118 1.093732 5.744807 5.166303 6.017883 6.956013 4.649272 8.410309 2.680485 3.695628 2.533806 3.075829 5.231040 4.585912 5.130919 1.774863 0.000000 4.887703 5.002310 5.611212 4.166192 6.409170 3.433292 5.483076 4.034086 4.310922 2.169844 4.220864 5.334132 1.094238 6.409022 5.220495 6.363765 7.794758 3.570057 7.611078 3.927434 5.010261 2.505422 2.504337 5.944189 5.063788 6.099543 1.774749 1.771956 0.000000 5.372863 4.251311 2.611017 4.893941 4.759621 5.133466 3.382344 3.360264 6.039516 5.988846 3.775655 6.574496 6.493691 2.182241 2.164616 1.079732 2.797560 6.288120 4.990472 6.950375 5.759242 6.917181 5.686787 5.912387 7.072363 7.420397 5.805659 7.022520 7.315060 0.000000 7.435778 6.535253 4.927728 7.003938 7.206006 5.646068 3.341016 4.776271 5.984327 6.899537 4.449350 6.302608 7.552230 2.162583 4.023668 2.644816 1.091087 8.309374 7.426604 6.974298 5.382134 7.648430 6.890956 5.505203 7.072867 6.858082 7.054622 7.799905 8.539270 2.464507 0.000000 7.503940 6.991109 5.544258 7.473032 7.960265 4.905471 2.699757 4.708984 4.923403 6.270962 3.971865 4.921952 7.168923 2.138176 4.376201 3.242657 1.093172 8.628521 8.234038 5.967072 4.358230 6.813199 6.367816 4.035742 5.736618 5.360918 6.922818 7.341887 8.170854 3.555585 1.778497 0.000000 7.890356 7.013234 5.534404 7.152398 7.925054 4.913095 2.704896 4.700166 4.920374 6.300285 3.972768 5.395551 6.850828 2.137821 4.370831 3.241669 1.093285 8.300042 8.417743 5.814268 4.101562 6.965265 6.570636 4.780328 6.325850 5.780309 6.467244 6.864583 7.915729 3.555327 1.778248 1.759611 0.000000 3.695588 3.014653 4.419884 2.089420 3.293770 6.339499 7.262252 4.944707 7.718093 5.497398 6.114728 8.701136 4.816601 7.405449 5.194101 6.500562 8.841219 1.092150 4.572039 7.803838 8.152201 6.302094 4.949471 8.845480 8.515784 9.690537 4.132855 5.686539 4.490727 6.926911 9.088409 9.506834 9.210222 0.000000 3.015048 2.891631 4.154118 2.089482 3.946493 4.832366 6.135459 3.864326 6.175619 3.815409 4.861260 7.091288 3.248896 6.545774 4.513703 5.889197 8.038770 1.091078 5.174612 6.210476 6.744007 4.545892 3.275407 7.327629 6.827567 8.067663 2.801572 4.225515 2.869851 6.552796 8.470787 8.572729 8.401052 1.789529 0.000000 4.431921 3.525975 4.465202 2.026569 4.242594 5.361216 6.409433 4.348021 6.611289 4.599508 5.278936 7.794869 3.568998 6.722468 4.830063 6.062747 8.128089 1.088193 5.659427 6.573160 6.950885 5.447554 4.391979 8.062259 7.739255 8.694288 2.775846 4.244161 3.386753 6.645692 8.506207 8.836559 8.310021 1.787065 1.787626 0.000000 3.896126 2.983290 2.860263 4.269658 2.086629 7.313941 6.676702 5.053780 8.656373 7.353380 6.254134 9.150808 7.655351 5.945007 4.089545 4.583342 6.912400 5.395357 1.092551 9.371257 8.813609 8.269620 6.540300 8.643286 9.190273 10.198375 6.897520 8.570880 7.962046 4.197500 6.579266 7.472652 7.715545 5.359225 5.775811 6.209754 0.000000 3.039020 2.888853 3.612057 4.251232 2.091287 7.515735 7.393696 5.429985 8.924233 7.226108 6.699912 9.345549 7.529354 6.932921 4.829668 5.667396 8.082039 4.980059 1.092287 9.530557 9.286596 8.026595 6.270437 8.951629 9.176775 10.432516 6.905434 8.552379 7.602696 5.549429 7.920935 8.540100 8.901798 4.739521 5.167788 5.969302 1.791592 0.000000 4.425988 3.530733 4.041193 4.480249 2.030698 8.421949 8.089985 6.188263 9.837613 8.218173 7.493837 10.448030 8.273237 7.464361 5.399477 6.093789 8.512431 5.286696 1.088322 10.424485 10.056014 9.132395 7.380932 10.059824 10.408188 11.516282 7.471434 9.219624 8.389839 5.770110 8.203266 9.139853 9.233124 4.895588 5.807133 6.107058 1.785962 1.788570 0.000000 C11H20N3O3PS C1 1 C1 1 C1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 285.1747609999998 AuxInfo=1/0/N:9;10;11;12;13;14;15;16;17;18;19;6;7;8;3;4;5;2;1;20;21;22;23;24;25;26;27;28;29;30;31;32;33;34;35;36;37;38;39/rA:39nS0P0O0O0O0N0N0N0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:-2.2158,-.9362,1.7345;-2.375,-.0292,.0323;-1.4317,1.2916,-.2287;-2.1352,-.8581,-1.3127;-3.8005,.647,-.2754;2.5211,-1.0584,.037;2.6445,1.25,-.213;.5398,.1125,-.1142;3.9811,-1.151,.0067;1.745,-2.2835,.2513;1.8937,.1384,-.1003;4.6132,-.9606,1.3872;1.281,-2.9227,-1.0594;1.9944,2.4139,-.3358;-.0595,1.2728,-.2183;.6022,2.4934,-.3358;2.8508,3.6432,-.4666;-2.4216,-2.2674,-1.4157;-4.4256,1.5369,.6716;4.2351,-2.1341,-.4004;4.3616,-.3991,-.6844;2.3817,-2.9743,.8107;.8832,-2.0502,.8776;4.3844,.0374,1.7661;4.2335,-1.6985,2.0996;5.7003,-1.0694,1.3298;.6228,-2.2353,-1.5937;2.1313,-3.164,-1.7036;.7311,-3.8475,-.8597;.0621,3.424,-.4259;2.2505,4.55,-.5554;3.5056,3.7333,.4041;3.4937,3.5545,-1.3464;-3.4999,-2.4384,-1.3884;-1.9345,-2.8146,-.6071;-2.0179,-2.5786,-2.3772;-3.8498,2.4619,.7532;-4.5082,1.0571,1.6493;-5.4154,1.7496,.2723; 0.4638098 0.2175214 0.1712225 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= 554 RedAO= T EigKep= 1.27D-06 NBF= 554 NBsUse= 554 1.00D-06 EigRej= -1.00D+00 NBFU= 554 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= 570 570 570 570 570 MxSgAt= 39 MxSgA2= 39. 1 Closed 1 1 1 -1561.09611666505 -1561.09611667 1 1.556619684067e+03 -7.460911979223e+03 2.450773839249e+03 Using DIIS extrapolation, IDIIS= 1040. NGot= 4246732800 LenX= 4246055918 LenY= 4245727016 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. PT563S Mon Feb 5 14:40:21 2024 -88.80756 -77.20882 -19.17864 -19.16424 -19.16126 -14.33812 -14.30710 -14.29960 -10.28588 -10.27487 -10.23595 -10.23352 -10.22970 -10.20402 -10.20288 -10.17264 -10.17157 -10.16162 -10.16055 -7.89555 -6.68870 -5.86003 -5.85227 -5.85187 -4.85125 -4.85059 -4.84886 -1.11568 -1.06838 -1.04845 -1.00645 -0.93357 -0.89314 -0.80183 -0.77426 -0.76649 -0.73828 -0.72751 -0.71430 -0.70802 -0.66738 -0.65494 -0.64042 -0.58691 -0.58190 -0.55512 -0.53758 -0.52216 -0.50554 -0.48614 -0.48300 -0.47737 -0.47090 -0.46815 -0.46271 -0.45876 -0.44631 -0.43969 -0.43405 -0.42178 -0.41950 -0.40657 -0.40044 -0.39505 -0.38320 -0.37913 -0.37767 -0.37191 -0.36509 -0.35383 -0.34905 -0.34392 -0.33559 -0.32490 -0.31550 -0.29948 -0.29204 -0.26188 -0.25002 -0.24223 -0.21692 -0.03086 -0.00833 -0.00260 0.00424 0.00894 0.01299 0.01487 0.02014 0.02740 0.03054 0.03486 0.03805 0.03944 0.04185 0.04786 0.05430 0.05603 0.05681 0.06227 0.06535 0.07013 0.07252 0.07404 0.07763 0.07943 0.08601 0.08706 0.09092 0.09509 0.09803 0.10128 0.10378 0.10678 0.11273 0.11755 0.11894 0.11974 0.12397 0.12610 0.12725 0.13295 0.13793 0.14212 0.14826 0.15333 0.15550 0.15851 0.16118 0.16650 0.16803 0.17136 0.17397 0.17750 0.18064 0.18600 0.18838 0.19144 0.19223 0.19382 0.19645 0.19844 0.20659 0.21004 0.21166 0.21535 0.21782 0.22231 0.22603 0.22872 0.23357 0.23687 0.23860 0.24081 0.24667 0.25110 0.25193 0.25444 0.25839 0.26467 0.26791 0.26879 0.27561 0.27847 0.28319 0.28530 0.28946 0.29311 0.29636 0.30274 0.30559 0.30990 0.31484 0.31730 0.32238 0.32373 0.32667 0.33287 0.33887 0.34051 0.34301 0.34645 0.35176 0.35892 0.36085 0.36634 0.37033 0.37547 0.37931 0.38376 0.38690 0.39964 0.40321 0.40545 0.41054 0.41905 0.42696 0.43029 0.43599 0.44192 0.44873 0.45324 0.45725 0.46681 0.47314 0.47867 0.48633 0.49322 0.50082 0.50447 0.52711 0.53044 0.53461 0.53965 0.54345 0.55720 0.56364 0.56953 0.57709 0.58460 0.59655 0.60114 0.60829 0.61084 0.61374 0.62331 0.62750 0.63142 0.63482 0.63935 0.65064 0.65337 0.66418 0.66462 0.67358 0.68134 0.68542 0.68917 0.68997 0.69372 0.69994 0.70334 0.71354 0.72013 0.72676 0.73322 0.73551 0.74311 0.75011 0.75256 0.75480 0.76555 0.77631 0.78472 0.79497 0.80126 0.81843 0.82986 0.84526 0.84848 0.85847 0.86424 0.87502 0.88135 0.90419 0.90525 0.91716 0.92201 0.93215 0.94103 0.94195 0.94734 0.95573 0.96006 0.97888 0.98303 0.98992 0.99978 1.00772 1.01825 1.02336 1.02682 1.03268 1.04139 1.06498 1.07135 1.08264 1.09945 1.10444 1.11313 1.11965 1.14090 1.14474 1.15211 1.17025 1.18792 1.20347 1.21599 1.22279 1.23298 1.25476 1.26787 1.28933 1.30253 1.31018 1.32008 1.33722 1.34882 1.35184 1.36249 1.36782 1.38063 1.39018 1.40295 1.40673 1.42231 1.43687 1.44476 1.45330 1.45850 1.46932 1.47170 1.48653 1.51068 1.51884 1.52304 1.53604 1.53784 1.54835 1.55256 1.56161 1.56483 1.56813 1.57386 1.57862 1.58307 1.59080 1.60106 1.60410 1.61805 1.62154 1.63687 1.64079 1.65140 1.65498 1.67206 1.67455 1.68149 1.68802 1.69592 1.70172 1.71258 1.71883 1.72525 1.72655 1.73516 1.74996 1.75265 1.75821 1.76938 1.77319 1.78548 1.79028 1.80701 1.81056 1.82666 1.83382 1.84030 1.84520 1.85578 1.86987 1.87786 1.88959 1.90414 1.92317 1.94148 1.95218 1.96321 1.96915 1.97468 2.00772 2.01596 2.01981 2.03928 2.05870 2.06901 2.07025 2.10357 2.11437 2.12254 2.13281 2.14889 2.15640 2.16929 2.17278 2.19449 2.20027 2.23236 2.24091 2.26156 2.27551 2.28713 2.29706 2.32860 2.35875 2.36656 2.37910 2.39511 2.41409 2.43001 2.43672 2.44153 2.46439 2.46567 2.48125 2.48742 2.48809 2.49285 2.50224 2.51235 2.51773 2.52227 2.53055 2.54531 2.55240 2.56406 2.57182 2.57680 2.58390 2.59479 2.61333 2.62073 2.62579 2.63473 2.64025 2.64602 2.66700 2.66857 2.67719 2.69695 2.70994 2.72309 2.73183 2.74822 2.76264 2.77038 2.77833 2.78346 2.78851 2.80181 2.80747 2.82603 2.85812 2.87272 2.87965 2.88267 2.89821 2.89921 2.92014 2.93513 2.95343 2.96585 2.98351 2.98864 3.00253 3.01470 3.01752 3.02801 3.03828 3.04096 3.09182 3.10865 3.11756 3.13603 3.14904 3.16342 3.26866 3.28259 3.30352 3.32928 3.40292 3.41566 3.45247 3.49853 3.53053 3.63110 3.66362 3.73382 3.77673 3.78029 3.78394 3.79190 3.79509 3.80336 3.80672 3.81566 3.82979 3.83067 3.83490 3.85014 3.88966 3.92025 3.97202 3.98500 3.99209 4.00521 4.02444 4.02702 4.19305 4.24120 4.25045 4.32956 4.45795 4.58450 4.81580 4.91011 5.02330 5.03809 5.05829 5.08509 5.12006 5.18278 5.24595 5.32625 5.45720 5.51652 5.72556 7.24646 7.99855 13.97069 14.00561 14.03811 17.38861 17.41730 17.50733 23.75689 23.86392 23.90254 23.90502 23.90988 23.91426 23.93527 23.98329 23.99885 24.01154 24.11193 35.57541 35.70552 35.74275 49.89031 49.90299 49.95307 163.36470 189.20014 1-A. Mulliken charges: 1 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 S P O O O N N N C C C C C C C C C C C H H H H H H H H H H H H H H H H H H H H -0.164259 0.062925 -0.081234 -0.101564 -0.001271 0.107128 -0.112437 -0.054158 -0.154226 -0.161918 -0.640812 -0.387473 -0.420065 0.198247 0.051203 -0.228983 -0.323978 -0.343191 -0.378692 0.144955 0.173254 0.146077 0.182984 0.152777 0.131564 0.136397 0.153312 0.133347 0.140055 0.121459 0.141443 0.159423 0.159647 0.173425 0.184879 0.164866 0.171720 0.194238 0.168937 -0.00000 0.5115 -0.0599 -1.1249 1.2372 -119.5011 -114.5959 -134.8666 -5.0382 1.1456 5.0269 3.4868 8.3920 -11.8788 -5.0382 1.1456 5.0269 -55.6336 12.8256 -14.4554 -9.4364 9.7029 1.4819 -2.0890 -3.5260 -12.2595 -21.1122 -5358.8619 -2443.2253 -788.2528 -178.7270 -29.9975 20.8934 10.5384 25.1026 16.1167 -1260.5631 -1100.8307 -555.7627 61.2518 21.2227 4.2294 (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A) (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(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-BELVIS14 APULGAR 2024-02-05T00:00:00.000 0 Wavefunction Pirimiphos-methyl CONF1 gas 0 1 Version=EM64L-G16RevC.01 State=1-A HF=-1561.0961167 RMSD=2.895e-09 Dipole=-0.201565,0.001366,0.4430487 Quadrupole=2.2582996,5.9140408,-8.1723404,3.6519213,0.7802905,-4.8134528 PG=C01 [X(C11H20N3O3P1S1)] 0 2.2858014526 -1.0440919327 -1.6824991055 0 2.3982231897 -0.0032728368 -0.0547537359 0 1.3959772715 1.290013678 0.1041420355 0 2.1907855805 -0.7367992169 1.349698224 0 3.7910345253 0.757567727 0.2004324024 0 -2.4470637766 -1.247888642 0.0185527433 0 -2.6742036555 1.0650231454 0.0910250895 0 -0.5205101936 0.0185872384 0.0799558372 0 -3.9015320046 -1.4031577764 0.0556714603 0 -1.616266588 -2.4498880334 -0.101160144 0 -1.8740995868 -0.0172406599 0.0638815072 0 -4.5365285757 -1.3474146757 -1.335470418 0 -1.1289066552 -2.9655777517 1.2547229982 0 -2.0771071383 2.2628075105 0.124441505 0 0.0260442807 1.2090947424 0.0950199745 0 -0.6897947982 2.4042599371 0.1186406948 0 -2.9879089818 3.4589684797 0.160618924 0 2.539422636 -2.119864671 1.5603763384 0 4.3792048981 1.599545364 -0.8117440579 0 -4.1129399519 -2.3626936922 0.5367554924 0 -4.3177241896 -0.6184222101 0.6870672126 0 -2.2195313753 -3.2092075549 -0.6061181868 0 -0.763552225 -2.2267824234 -0.7433396142 0 -4.3511367148 -0.3721339602 -1.7896812323 0 -4.1217457294 -2.1199260895 -1.9892033016 0 -5.6179069884 -1.500066875 -1.2701326339 0 -0.5040125708 -2.2104947255 1.7349513648 0 -1.9699602658 -3.1946699387 1.9153245571 0 -0.5376406505 -3.8773456945 1.1265021757 0 -0.1921181561 3.3622748382 0.1372535714 0 -2.4290158507 4.3958460904 0.1798571502 0 -3.6429860517 3.4527524891 -0.7145158485 0 -3.6294213121 3.4091443438 1.0445027459 0 3.6244017367 -2.2440271756 1.5463825987 0 2.0801135959 -2.7485458664 0.7960167779 0 2.1466273804 -2.3743575485 2.5427757033 0 3.763030529 2.488814449 -0.9640516381 0 4.4866285959 1.0505349088 -1.7499014716 0 5.3571224125 1.8862663801 -0.4297589746 Gaussian 16 5-Feb-2024 Gaussian 16 3-Jul-2019 EM64L-G16RevC.01 111 C1[X(C11H20N3O3PS)] RB3LYP TD-FC 6-311+G(d,p) SP #P B3LYP 6-311+G(d,p) EmpiricalDispersion=gd3 geom=check guess=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 0 0 0 0 0 0 285.1747609999998 AuxInfo=1/0/N:9;10;11;12;13;14;15;16;17;18;19;6;7;8;3;4;5;2;1;20;21;22;23;24;25;26;27;28;29;30;31;32;33;34;35;36;37;38;39/rA:39nS0P0O0O0O0N0N0N0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:2.2858,-1.0441,-1.6825;2.3982,-.0033,-.0548;1.396,1.29,.1041;2.1908,-.7368,1.3497;3.791,.7576,.2004;-2.4471,-1.2479,.0186;-2.6742,1.065,.091;-.5205,.0186,.08;-3.9015,-1.4032,.0557;-1.6163,-2.4499,-.1012;-1.8741,-.0172,.0639;-4.5365,-1.3474,-1.3355;-1.1289,-2.9656,1.2547;-2.0771,2.2628,.1244;.026,1.2091,.095;-.6898,2.4043,.1186;-2.9879,3.459,.1606;2.5394,-2.1199,1.5604;4.3792,1.5995,-.8117;-4.1129,-2.3627,.5368;-4.3177,-.6184,.6871;-2.2195,-3.2092,-.6061;-.7636,-2.2268,-.7433;-4.3511,-.3721,-1.7897;-4.1217,-2.1199,-1.9892;-5.6179,-1.5001,-1.2701;-.504,-2.2105,1.735;-1.97,-3.1947,1.9153;-.5376,-3.8773,1.1265;-.1921,3.3623,.1373;-2.429,4.3958,.1799;-3.643,3.4528,-.7145;-3.6294,3.4091,1.0445;3.6244,-2.244,1.5464;2.0801,-2.7485,.796;2.1466,-2.3744,2.5428;3.763,2.4888,-.9641;4.4866,1.0505,-1.7499;5.3571,1.8863,-.4298; oldchk=/home/apulgar/almacen/pesticidas/G1_new/Pirimiphos-methyl/gaussian/gas/C #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 Pirimiphos-methyl CONF1 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 34 35 36 37 38 39 32 31 16 16 16 14 14 14 12 12 12 12 12 12 12 12 12 12 12 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 31.9720718 30.9737634 15.9949146 15.9949146 15.9949146 14.0030740 14.0030740 14.0030740 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 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 1 0 0 0 2 2 2 0 0 0 0 0 0 0 0 0 0 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 13.6000000 12.9400000 5.6000000 5.6000000 5.6000000 4.5500000 4.5500000 4.5500000 3.6000000 3.6000000 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 573 A 554 A 554 872 573 81 81 1892.4631338406 39 39 39 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 -0.0407945984 0.000000 1.935329 0.000000 3.071144 1.643878 0.000000 3.049209 1.597991 2.508207 0.000000 3.009507 1.607458 2.455416 2.472800 0.000000 5.033401 5.003124 4.606217 4.852093 6.555060 0.000000 5.674100 5.185752 4.076416 5.338440 6.473469 2.325168 0.000000 3.480075 2.921922 2.300007 3.087714 4.376074 2.306369 2.394482 0.000000 6.436867 6.454362 5.942990 6.263775 7.991575 1.463203 2.756719 3.667868 0.000000 4.438810 4.701511 4.806519 4.419650 6.294254 1.466069 3.675699 2.706816 2.518467 0.000000 4.626991 4.273992 3.521922 4.323700 5.719503 1.358248 1.346179 1.354159 2.455874 2.451834 0.000000 6.837881 7.178979 6.650048 7.269095 8.725724 2.491816 3.364967 4.471890 1.530230 3.356620 3.288780 0.000000 4.896898 4.788593 5.080249 3.999604 6.259326 2.493213 4.470781 3.264271 3.400931 1.530318 3.265901 4.575963 0.000000 5.765032 5.019543 3.606807 5.358526 6.058598 3.531723 1.338779 2.731574 4.095431 4.740545 2.289869 4.605844 5.432553 0.000000 3.652797 2.668239 1.372351 3.169673 3.793434 3.486958 2.704092 1.310060 4.717125 4.015448 2.261728 5.422095 4.484051 2.352535 0.000000 4.897898 3.919456 2.364783 4.436158 4.774528 4.054158 2.394201 2.391984 4.981531 4.946657 2.696153 5.566584 5.506238 1.394517 1.393343 0.000000 7.175420 6.406553 4.891422 6.770322 7.297481 4.739958 2.415415 4.234476 4.948332 6.071616 3.651569 5.266671 6.777001 1.503885 3.761668 2.528933 0.000000 3.426055 2.666185 3.880123 1.441806 3.419883 5.291749 6.283662 4.015945 6.653097 4.487691 5.112700 7.684510 3.776942 6.525494 4.421121 5.742312 7.977098 0.000000 3.482725 2.658261 3.135969 3.862579 1.442003 7.442796 7.131008 5.225109 8.850946 7.269699 6.518016 9.404742 7.446471 6.557463 4.463707 5.216123 7.660112 4.779724 0.000000 6.899833 6.950683 6.624016 6.560592 8.504232 2.070379 3.744046 4.334134 1.094004 2.578356 3.276761 2.171508 3.127843 5.070491 5.484888 5.883586 5.941290 6.735035 9.467540 0.000000 7.028698 6.784737 6.052133 6.543225 8.239061 2.083869 2.427018 3.897845 1.089810 3.357595 2.592505 2.161010 3.999991 3.693020 4.749596 4.756216 4.320957 7.073716 9.099582 1.762672 0.000000 5.113154 5.648511 5.815442 5.421155 7.246567 2.070931 4.354513 3.711607 2.555173 1.093379 3.279768 3.060507 2.170610 5.522404 5.005557 5.863138 6.755950 5.341162 8.167601 2.368067 3.575879 0.000000 3.402842 3.926190 4.213033 3.915223 5.526419 2.091154 3.896503 2.403866 3.341211 1.090547 2.601345 3.919089 2.161378 4.757614 3.623750 4.711157 6.171926 4.028422 6.410415 3.588247 4.155120 1.761779 0.000000 6.671729 6.978531 6.275239 7.265358 8.457643 2.768059 2.900790 4.280409 2.161130 3.827229 3.114058 1.091719 5.135865 3.972152 5.021165 4.975488 4.509923 7.858579 9.003485 3.071054 2.489188 3.740795 4.171968 0.000000 6.504471 7.122662 6.815794 7.273882 8.699803 2.756101 4.070213 4.671569 2.178018 3.154522 3.699778 1.093703 4.493915 5.277916 5.712314 6.057190 6.085342 7.547892 9.353451 2.537613 3.074955 2.591887 3.583442 1.774037 0.000000 7.927583 8.244749 7.672532 8.271745 9.787117 3.431989 4.134952 5.487486 2.170965 4.275720 4.241988 1.094053 5.354787 5.351759 6.407604 6.438847 5.792752 8.656671 10.476639 2.504775 2.509662 3.861481 4.936637 1.773942 1.771944 0.000000 4.563171 4.061754 4.303842 3.095502 5.441652 2.765517 4.259253 2.776344 3.874908 2.160029 3.078957 5.141360 1.091450 5.007874 3.829351 4.893152 6.386789 3.049785 6.696856 3.805679 4.263467 3.069371 2.491897 5.531995 5.192834 5.973873 0.000000 5.973343 5.757365 5.892564 4.865477 7.193754 2.759588 4.687111 3.974230 3.224716 2.178534 3.678734 4.535118 1.093732 5.744807 5.166303 6.017883 6.956013 4.649272 8.410309 2.680485 3.695628 2.533806 3.075829 5.231040 4.585912 5.130919 1.774863 0.000000 4.887703 5.002310 5.611212 4.166192 6.409170 3.433292 5.483076 4.034086 4.310922 2.169844 4.220864 5.334132 1.094238 6.409022 5.220495 6.363765 7.794758 3.570057 7.611078 3.927434 5.010261 2.505422 2.504337 5.944189 5.063788 6.099543 1.774749 1.771956 0.000000 5.372863 4.251311 2.611017 4.893941 4.759621 5.133466 3.382344 3.360264 6.039516 5.988846 3.775655 6.574496 6.493691 2.182241 2.164616 1.079732 2.797560 6.288120 4.990472 6.950375 5.759242 6.917181 5.686787 5.912387 7.072363 7.420397 5.805659 7.022520 7.315060 0.000000 7.435778 6.535253 4.927728 7.003938 7.206006 5.646068 3.341016 4.776271 5.984327 6.899537 4.449350 6.302608 7.552230 2.162583 4.023668 2.644816 1.091087 8.309374 7.426604 6.974298 5.382134 7.648430 6.890956 5.505203 7.072867 6.858082 7.054622 7.799905 8.539270 2.464507 0.000000 7.503940 6.991109 5.544258 7.473032 7.960265 4.905471 2.699757 4.708984 4.923403 6.270962 3.971865 4.921952 7.168923 2.138176 4.376201 3.242657 1.093172 8.628521 8.234038 5.967072 4.358230 6.813199 6.367816 4.035742 5.736618 5.360918 6.922818 7.341887 8.170854 3.555585 1.778497 0.000000 7.890356 7.013234 5.534404 7.152398 7.925054 4.913095 2.704896 4.700166 4.920374 6.300285 3.972768 5.395551 6.850828 2.137821 4.370831 3.241669 1.093285 8.300042 8.417743 5.814268 4.101562 6.965265 6.570636 4.780328 6.325850 5.780309 6.467244 6.864583 7.915729 3.555327 1.778248 1.759611 0.000000 3.695588 3.014653 4.419884 2.089420 3.293770 6.339499 7.262252 4.944707 7.718093 5.497398 6.114728 8.701136 4.816601 7.405449 5.194101 6.500562 8.841219 1.092150 4.572039 7.803838 8.152201 6.302094 4.949471 8.845480 8.515784 9.690537 4.132855 5.686539 4.490727 6.926911 9.088409 9.506834 9.210222 0.000000 3.015048 2.891631 4.154118 2.089482 3.946493 4.832366 6.135459 3.864326 6.175619 3.815409 4.861260 7.091288 3.248896 6.545774 4.513703 5.889197 8.038770 1.091078 5.174612 6.210476 6.744007 4.545892 3.275407 7.327629 6.827567 8.067663 2.801572 4.225515 2.869851 6.552796 8.470787 8.572729 8.401052 1.789529 0.000000 4.431921 3.525975 4.465202 2.026569 4.242594 5.361216 6.409433 4.348021 6.611289 4.599508 5.278936 7.794869 3.568998 6.722468 4.830063 6.062747 8.128089 1.088193 5.659427 6.573160 6.950885 5.447554 4.391979 8.062259 7.739255 8.694288 2.775846 4.244161 3.386753 6.645692 8.506207 8.836559 8.310021 1.787065 1.787626 0.000000 3.896126 2.983290 2.860263 4.269658 2.086629 7.313941 6.676702 5.053780 8.656373 7.353380 6.254134 9.150808 7.655351 5.945007 4.089545 4.583342 6.912400 5.395357 1.092551 9.371257 8.813609 8.269620 6.540300 8.643286 9.190273 10.198375 6.897520 8.570880 7.962046 4.197500 6.579266 7.472652 7.715545 5.359225 5.775811 6.209754 0.000000 3.039020 2.888853 3.612057 4.251232 2.091287 7.515735 7.393696 5.429985 8.924233 7.226108 6.699912 9.345549 7.529354 6.932921 4.829668 5.667396 8.082039 4.980059 1.092287 9.530557 9.286596 8.026595 6.270437 8.951629 9.176775 10.432516 6.905434 8.552379 7.602696 5.549429 7.920935 8.540100 8.901798 4.739521 5.167788 5.969302 1.791592 0.000000 4.425988 3.530733 4.041193 4.480249 2.030698 8.421949 8.089985 6.188263 9.837613 8.218173 7.493837 10.448030 8.273237 7.464361 5.399477 6.093789 8.512431 5.286696 1.088322 10.424485 10.056014 9.132395 7.380932 10.059824 10.408188 11.516282 7.471434 9.219624 8.389839 5.770110 8.203266 9.139853 9.233124 4.895588 5.807133 6.107058 1.785962 1.788570 0.000000 C11H20N3O3PS C1 1 C1 1 C1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 285.1747609999998 AuxInfo=1/0/N:9;10;11;12;13;14;15;16;17;18;19;6;7;8;3;4;5;2;1;20;21;22;23;24;25;26;27;28;29;30;31;32;33;34;35;36;37;38;39/rA:39nS0P0O0O0O0N0N0N0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:-2.2158,-.9362,1.7345;-2.375,-.0292,.0323;-1.4317,1.2916,-.2287;-2.1352,-.8581,-1.3127;-3.8005,.647,-.2754;2.5211,-1.0584,.037;2.6445,1.25,-.213;.5398,.1125,-.1142;3.9811,-1.151,.0067;1.745,-2.2835,.2513;1.8937,.1384,-.1003;4.6132,-.9606,1.3872;1.281,-2.9227,-1.0594;1.9944,2.4139,-.3358;-.0595,1.2728,-.2183;.6022,2.4934,-.3358;2.8508,3.6432,-.4666;-2.4216,-2.2674,-1.4157;-4.4256,1.5369,.6716;4.2351,-2.1341,-.4004;4.3616,-.3991,-.6844;2.3817,-2.9743,.8107;.8832,-2.0502,.8776;4.3844,.0374,1.7661;4.2335,-1.6985,2.0996;5.7003,-1.0694,1.3298;.6228,-2.2353,-1.5937;2.1313,-3.164,-1.7036;.7311,-3.8475,-.8597;.0621,3.424,-.4259;2.2505,4.55,-.5554;3.5056,3.7333,.4041;3.4937,3.5545,-1.3464;-3.4999,-2.4384,-1.3884;-1.9345,-2.8146,-.6071;-2.0179,-2.5786,-2.3772;-3.8498,2.4619,.7532;-4.5082,1.0571,1.6493;-5.4154,1.7496,.2723; 0.4638098 0.2175214 0.1712225 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= 554 RedAO= T EigKep= 1.27D-06 NBF= 554 NBsUse= 554 1.00D-06 EigRej= -1.00D+00 NBFU= 554 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= 570 570 570 570 570 MxSgAt= 39 MxSgA2= 39. 1 Closed 1 1 1 -1561.09611666505 -1561.09611666508 -0.000000000034 -1561.09611667 2 1.556619683971e+03 -7.460911979665e+03 2.450773839787e+03 Using DIIS extrapolation, IDIIS= 1040. NGot= 4246732800 LenX= 4246055918 LenY= 4245727016 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 4.3313 286.25 0.0616 0.000 81 82 0.69642 -1560.93694395 2 Singlet-A 4.7534 260.83 0.0068 0.000 78 82 0.40490 80 82 0.57473 3 Singlet-A 5.1591 240.32 0.0336 0.000 81 83 0.38333 81 84 0.57529 81 86 -0.10308 4 Singlet-A 5.2537 236.00 0.1998 0.000 78 82 -0.29923 80 82 0.20064 80 83 -0.10694 81 83 0.46783 81 84 -0.30753 81 86 0.12341 5 Singlet-A 5.2689 235.31 0.0530 0.000 78 82 0.43789 79 82 -0.24826 80 82 -0.31897 80 83 0.13040 81 83 0.27820 81 84 -0.16898 6 Singlet-A 5.3072 233.62 0.0430 0.000 78 82 0.14044 79 82 0.65089 81 83 0.16502 7 Singlet-A 5.4313 228.28 0.0002 0.000 78 82 -0.16210 78 83 0.35350 78 84 -0.12186 80 82 0.11204 80 83 0.51005 80 84 -0.12248 81 85 0.14635 8 Singlet-A 5.4335 228.19 0.0080 0.000 80 83 -0.12302 81 85 0.65059 81 87 -0.17824 9 Singlet-A 5.6557 219.22 0.0338 0.000 81 84 -0.10288 81 86 -0.39256 81 87 0.45782 81 88 0.28977 10 Singlet-A 5.6629 218.94 0.0257 0.000 81 84 0.11801 81 86 0.50188 81 87 0.40821 81 89 0.20645 PT30087.600S Mon Feb 5 15:01:21 2024 -88.80756 -77.20882 -19.17864 -19.16424 -19.16126 -14.33812 -14.30710 -14.29960 -10.28588 -10.27487 -10.23595 -10.23352 -10.22970 -10.20402 -10.20288 -10.17264 -10.17157 -10.16162 -10.16055 -7.89555 -6.68870 -5.86003 -5.85227 -5.85187 -4.85125 -4.85059 -4.84886 -1.11568 -1.06838 -1.04845 -1.00645 -0.93357 -0.89314 -0.80183 -0.77426 -0.76649 -0.73828 -0.72751 -0.71430 -0.70802 -0.66738 -0.65494 -0.64042 -0.58691 -0.58190 -0.55512 -0.53758 -0.52216 -0.50554 -0.48614 -0.48300 -0.47737 -0.47090 -0.46815 -0.46271 -0.45876 -0.44631 -0.43969 -0.43405 -0.42178 -0.41950 -0.40657 -0.40044 -0.39505 -0.38320 -0.37913 -0.37767 -0.37191 -0.36509 -0.35383 -0.34905 -0.34392 -0.33559 -0.32490 -0.31550 -0.29948 -0.29204 -0.26188 -0.25002 -0.24223 -0.21692 -0.03086 -0.00833 -0.00260 0.00424 0.00894 0.01299 0.01487 0.02014 0.02740 0.03054 0.03486 0.03805 0.03944 0.04185 0.04786 0.05430 0.05603 0.05681 0.06227 0.06535 0.07013 0.07252 0.07404 0.07763 0.07943 0.08601 0.08706 0.09092 0.09509 0.09803 0.10128 0.10378 0.10678 0.11273 0.11755 0.11894 0.11974 0.12397 0.12610 0.12725 0.13295 0.13793 0.14212 0.14826 0.15333 0.15550 0.15851 0.16118 0.16650 0.16803 0.17136 0.17397 0.17750 0.18064 0.18600 0.18838 0.19144 0.19223 0.19382 0.19645 0.19844 0.20659 0.21004 0.21166 0.21535 0.21782 0.22231 0.22603 0.22872 0.23357 0.23687 0.23860 0.24081 0.24667 0.25110 0.25193 0.25444 0.25839 0.26467 0.26791 0.26879 0.27561 0.27847 0.28319 0.28530 0.28946 0.29311 0.29636 0.30274 0.30559 0.30990 0.31484 0.31730 0.32238 0.32373 0.32667 0.33287 0.33887 0.34051 0.34301 0.34645 0.35176 0.35892 0.36085 0.36634 0.37033 0.37547 0.37931 0.38376 0.38690 0.39964 0.40321 0.40545 0.41054 0.41905 0.42696 0.43029 0.43599 0.44192 0.44873 0.45324 0.45725 0.46681 0.47314 0.47867 0.48633 0.49322 0.50082 0.50447 0.52711 0.53044 0.53461 0.53965 0.54345 0.55720 0.56364 0.56953 0.57709 0.58460 0.59655 0.60114 0.60829 0.61084 0.61374 0.62331 0.62750 0.63142 0.63482 0.63935 0.65064 0.65337 0.66418 0.66462 0.67358 0.68134 0.68542 0.68917 0.68997 0.69372 0.69994 0.70334 0.71354 0.72013 0.72676 0.73322 0.73551 0.74311 0.75011 0.75256 0.75480 0.76555 0.77631 0.78472 0.79497 0.80126 0.81843 0.82986 0.84526 0.84848 0.85847 0.86424 0.87502 0.88135 0.90419 0.90525 0.91716 0.92201 0.93215 0.94103 0.94195 0.94734 0.95573 0.96006 0.97888 0.98303 0.98992 0.99978 1.00772 1.01825 1.02336 1.02682 1.03268 1.04139 1.06498 1.07135 1.08264 1.09945 1.10444 1.11313 1.11965 1.14090 1.14474 1.15211 1.17025 1.18792 1.20347 1.21599 1.22279 1.23298 1.25476 1.26787 1.28933 1.30253 1.31018 1.32008 1.33722 1.34882 1.35184 1.36249 1.36782 1.38063 1.39018 1.40295 1.40673 1.42231 1.43687 1.44476 1.45330 1.45850 1.46932 1.47170 1.48653 1.51068 1.51884 1.52304 1.53604 1.53784 1.54835 1.55256 1.56161 1.56483 1.56813 1.57386 1.57862 1.58307 1.59080 1.60106 1.60410 1.61805 1.62154 1.63687 1.64079 1.65140 1.65498 1.67206 1.67455 1.68149 1.68802 1.69592 1.70172 1.71258 1.71883 1.72525 1.72655 1.73516 1.74996 1.75265 1.75821 1.76938 1.77319 1.78548 1.79028 1.80701 1.81056 1.82666 1.83382 1.84030 1.84520 1.85578 1.86987 1.87786 1.88959 1.90414 1.92317 1.94148 1.95218 1.96321 1.96915 1.97468 2.00772 2.01596 2.01981 2.03928 2.05870 2.06901 2.07025 2.10357 2.11437 2.12254 2.13281 2.14889 2.15640 2.16929 2.17278 2.19449 2.20027 2.23236 2.24091 2.26156 2.27551 2.28713 2.29706 2.32860 2.35875 2.36656 2.37910 2.39511 2.41409 2.43001 2.43672 2.44153 2.46439 2.46567 2.48125 2.48742 2.48809 2.49285 2.50224 2.51235 2.51773 2.52227 2.53055 2.54531 2.55240 2.56406 2.57182 2.57680 2.58390 2.59479 2.61333 2.62073 2.62579 2.63473 2.64025 2.64602 2.66700 2.66857 2.67719 2.69695 2.70994 2.72309 2.73183 2.74822 2.76264 2.77038 2.77833 2.78346 2.78851 2.80181 2.80747 2.82603 2.85812 2.87272 2.87965 2.88267 2.89821 2.89921 2.92014 2.93513 2.95343 2.96585 2.98351 2.98864 3.00253 3.01470 3.01752 3.02801 3.03828 3.04096 3.09182 3.10865 3.11756 3.13603 3.14904 3.16342 3.26866 3.28259 3.30352 3.32928 3.40292 3.41566 3.45247 3.49853 3.53053 3.63110 3.66362 3.73382 3.77673 3.78029 3.78394 3.79190 3.79509 3.80336 3.80672 3.81566 3.82979 3.83067 3.83490 3.85014 3.88966 3.92025 3.97202 3.98500 3.99209 4.00521 4.02444 4.02702 4.19305 4.24120 4.25045 4.32956 4.45795 4.58450 4.81580 4.91011 5.02330 5.03809 5.05829 5.08509 5.12006 5.18278 5.24595 5.32625 5.45720 5.51652 5.72556 7.24646 7.99855 13.97069 14.00561 14.03811 17.38861 17.41730 17.50733 23.75689 23.86392 23.90254 23.90502 23.90988 23.91426 23.93527 23.98329 23.99885 24.01154 24.11193 35.57541 35.70552 35.74275 49.89031 49.90299 49.95307 163.36470 189.20014 1-A. Mulliken charges: 1 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 S P O O O N N N C C C C C C C C C C C H H H H H H H H H H H H H H H H H H H H -0.164259 0.062925 -0.081234 -0.101564 -0.001271 0.107128 -0.112437 -0.054158 -0.154226 -0.161918 -0.640812 -0.387473 -0.420065 0.198247 0.051203 -0.228983 -0.323978 -0.343191 -0.378692 0.144955 0.173254 0.146077 0.182984 0.152777 0.131564 0.136397 0.153312 0.133347 0.140055 0.121459 0.141443 0.159423 0.159647 0.173425 0.184879 0.164866 0.171720 0.194238 0.168937 -0.00000 0.5115 -0.0599 -1.1249 1.2372 -119.5011 -114.5959 -134.8666 -5.0382 1.1456 5.0269 3.4868 8.3920 -11.8788 -5.0382 1.1456 5.0269 -55.6336 12.8256 -14.4554 -9.4364 9.7029 1.4819 -2.0890 -3.5260 -12.2595 -21.1122 -5358.8619 -2443.2253 -788.2528 -178.7270 -29.9975 20.8934 10.5384 25.1026 16.1167 -1260.5631 -1100.8307 -555.7627 61.2518 21.2227 4.2294 (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A) (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(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-BELVIS14 APULGAR 2024-02-05T00:00:00.000 0 Electronic spectrum Pirimiphos-methyl CONF1 gas 0 1 Version=EM64L-G16RevC.01 State=1-A HF=-1561.0961167 RMSD=1.130e-09 PG=C01[X(C11H20N3O3P1S1)] 0 2.2858014526 -1.0440919327 -1.6824991055 0 2.3982231897 -0.0032728368 -0.0547537359 0 1.3959772715 1.290013678 0.1041420355 0 2.1907855805 -0.7367992169 1.349698224 0 3.7910345253 0.757567727 0.2004324024 0 -2.4470637766 -1.247888642 0.0185527433 0 -2.6742036555 1.0650231454 0.0910250895 0 -0.5205101936 0.0185872384 0.0799558372 0 -3.9015320046 -1.4031577764 0.0556714603 0 -1.616266588 -2.4498880334 -0.101160144 0 -1.8740995868 -0.0172406599 0.0638815072 0 -4.5365285757 -1.3474146757 -1.335470418 0 -1.1289066552 -2.9655777517 1.2547229982 0 -2.0771071383 2.2628075105 0.124441505 0 0.0260442807 1.2090947424 0.0950199745 0 -0.6897947982 2.4042599371 0.1186406948 0 -2.9879089818 3.4589684797 0.160618924 0 2.539422636 -2.119864671 1.5603763384 0 4.3792048981 1.599545364 -0.8117440579 0 -4.1129399519 -2.3626936922 0.5367554924 0 -4.3177241896 -0.6184222101 0.6870672126 0 -2.2195313753 -3.2092075549 -0.6061181868 0 -0.763552225 -2.2267824234 -0.7433396142 0 -4.3511367148 -0.3721339602 -1.7896812323 0 -4.1217457294 -2.1199260895 -1.9892033016 0 -5.6179069884 -1.500066875 -1.2701326339 0 -0.5040125708 -2.2104947255 1.7349513648 0 -1.9699602658 -3.1946699387 1.9153245571 0 -0.5376406505 -3.8773456945 1.1265021757 0 -0.1921181561 3.3622748382 0.1372535714 0 -2.4290158507 4.3958460904 0.1798571502 0 -3.6429860517 3.4527524891 -0.7145158485 0 -3.6294213121 3.4091443438 1.0445027459 0 3.6244017367 -2.2440271756 1.5463825987 0 2.0801135959 -2.7485458664 0.7960167779 0 2.1466273804 -2.3743575485 2.5427757033 0 3.763030529 2.488814449 -0.9640516381 0 4.4866285959 1.0505349088 -1.7499014716 0 5.3571224125 1.8862663801 -0.4297589746 Gaussian 16 5-Feb-2024 Gaussian 16 3-Jul-2019 EM64L-G16RevC.01 111 C1[X(C11H20N3O3PS)] RB3LYP 6-311+G(3df,2p) SP #P B3LYP 6-311+G(3df,2p) EmpiricalDispersion=gd3 geom=check guess=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 0 0 0 0 0 0 285.1747609999998 AuxInfo=1/0/N:9;10;11;12;13;14;15;16;17;18;19;6;7;8;3;4;5;2;1;20;21;22;23;24;25;26;27;28;29;30;31;32;33;34;35;36;37;38;39/rA:39nS0P0O0O0O0N0N0N0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:2.2858,-1.0441,-1.6825;2.3982,-.0033,-.0548;1.396,1.29,.1041;2.1908,-.7368,1.3497;3.791,.7576,.2004;-2.4471,-1.2479,.0186;-2.6742,1.065,.091;-.5205,.0186,.08;-3.9015,-1.4032,.0557;-1.6163,-2.4499,-.1012;-1.8741,-.0172,.0639;-4.5365,-1.3474,-1.3355;-1.1289,-2.9656,1.2547;-2.0771,2.2628,.1244;.026,1.2091,.095;-.6898,2.4043,.1186;-2.9879,3.459,.1606;2.5394,-2.1199,1.5604;4.3792,1.5995,-.8117;-4.1129,-2.3627,.5368;-4.3177,-.6184,.6871;-2.2195,-3.2092,-.6061;-.7636,-2.2268,-.7433;-4.3511,-.3721,-1.7897;-4.1217,-2.1199,-1.9892;-5.6179,-1.5001,-1.2701;-.504,-2.2105,1.735;-1.97,-3.1947,1.9153;-.5376,-3.8773,1.1265;-.1921,3.3623,.1373;-2.429,4.3958,.1799;-3.643,3.4528,-.7145;-3.6294,3.4091,1.0445;3.6244,-2.244,1.5464;2.0801,-2.7485,.796;2.1466,-2.3744,2.5428;3.763,2.4888,-.9641;4.4866,1.0505,-1.7499;5.3571,1.8863,-.4298; oldchk=/home/apulgar/almacen/pesticidas/G1_new/Pirimiphos-methyl/gaussian/gas/C #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 Pirimiphos-methyl CONF1 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 34 35 36 37 38 39 32 31 16 16 16 14 14 14 12 12 12 12 12 12 12 12 12 12 12 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 31.9720718 30.9737634 15.9949146 15.9949146 15.9949146 14.0030740 14.0030740 14.0030740 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 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 1 0 0 0 2 2 2 0 0 0 0 0 0 0 0 0 0 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 13.6000000 12.9400000 5.6000000 5.6000000 5.6000000 4.5500000 4.5500000 4.5500000 3.6000000 3.6000000 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 1051 A 937 A 937 1350 1051 81 81 1892.4631338406 39 39 39 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 -0.0407945984 0.000000 1.935329 0.000000 3.071144 1.643878 0.000000 3.049209 1.597991 2.508207 0.000000 3.009507 1.607458 2.455416 2.472800 0.000000 5.033401 5.003124 4.606217 4.852093 6.555060 0.000000 5.674100 5.185752 4.076416 5.338440 6.473469 2.325168 0.000000 3.480075 2.921922 2.300007 3.087714 4.376074 2.306369 2.394482 0.000000 6.436867 6.454362 5.942990 6.263775 7.991575 1.463203 2.756719 3.667868 0.000000 4.438810 4.701511 4.806519 4.419650 6.294254 1.466069 3.675699 2.706816 2.518467 0.000000 4.626991 4.273992 3.521922 4.323700 5.719503 1.358248 1.346179 1.354159 2.455874 2.451834 0.000000 6.837881 7.178979 6.650048 7.269095 8.725724 2.491816 3.364967 4.471890 1.530230 3.356620 3.288780 0.000000 4.896898 4.788593 5.080249 3.999604 6.259326 2.493213 4.470781 3.264271 3.400931 1.530318 3.265901 4.575963 0.000000 5.765032 5.019543 3.606807 5.358526 6.058598 3.531723 1.338779 2.731574 4.095431 4.740545 2.289869 4.605844 5.432553 0.000000 3.652797 2.668239 1.372351 3.169673 3.793434 3.486958 2.704092 1.310060 4.717125 4.015448 2.261728 5.422095 4.484051 2.352535 0.000000 4.897898 3.919456 2.364783 4.436158 4.774528 4.054158 2.394201 2.391984 4.981531 4.946657 2.696153 5.566584 5.506238 1.394517 1.393343 0.000000 7.175420 6.406553 4.891422 6.770322 7.297481 4.739958 2.415415 4.234476 4.948332 6.071616 3.651569 5.266671 6.777001 1.503885 3.761668 2.528933 0.000000 3.426055 2.666185 3.880123 1.441806 3.419883 5.291749 6.283662 4.015945 6.653097 4.487691 5.112700 7.684510 3.776942 6.525494 4.421121 5.742312 7.977098 0.000000 3.482725 2.658261 3.135969 3.862579 1.442003 7.442796 7.131008 5.225109 8.850946 7.269699 6.518016 9.404742 7.446471 6.557463 4.463707 5.216123 7.660112 4.779724 0.000000 6.899833 6.950683 6.624016 6.560592 8.504232 2.070379 3.744046 4.334134 1.094004 2.578356 3.276761 2.171508 3.127843 5.070491 5.484888 5.883586 5.941290 6.735035 9.467540 0.000000 7.028698 6.784737 6.052133 6.543225 8.239061 2.083869 2.427018 3.897845 1.089810 3.357595 2.592505 2.161010 3.999991 3.693020 4.749596 4.756216 4.320957 7.073716 9.099582 1.762672 0.000000 5.113154 5.648511 5.815442 5.421155 7.246567 2.070931 4.354513 3.711607 2.555173 1.093379 3.279768 3.060507 2.170610 5.522404 5.005557 5.863138 6.755950 5.341162 8.167601 2.368067 3.575879 0.000000 3.402842 3.926190 4.213033 3.915223 5.526419 2.091154 3.896503 2.403866 3.341211 1.090547 2.601345 3.919089 2.161378 4.757614 3.623750 4.711157 6.171926 4.028422 6.410415 3.588247 4.155120 1.761779 0.000000 6.671729 6.978531 6.275239 7.265358 8.457643 2.768059 2.900790 4.280409 2.161130 3.827229 3.114058 1.091719 5.135865 3.972152 5.021165 4.975488 4.509923 7.858579 9.003485 3.071054 2.489188 3.740795 4.171968 0.000000 6.504471 7.122662 6.815794 7.273882 8.699803 2.756101 4.070213 4.671569 2.178018 3.154522 3.699778 1.093703 4.493915 5.277916 5.712314 6.057190 6.085342 7.547892 9.353451 2.537613 3.074955 2.591887 3.583442 1.774037 0.000000 7.927583 8.244749 7.672532 8.271745 9.787117 3.431989 4.134952 5.487486 2.170965 4.275720 4.241988 1.094053 5.354787 5.351759 6.407604 6.438847 5.792752 8.656671 10.476639 2.504775 2.509662 3.861481 4.936637 1.773942 1.771944 0.000000 4.563171 4.061754 4.303842 3.095502 5.441652 2.765517 4.259253 2.776344 3.874908 2.160029 3.078957 5.141360 1.091450 5.007874 3.829351 4.893152 6.386789 3.049785 6.696856 3.805679 4.263467 3.069371 2.491897 5.531995 5.192834 5.973873 0.000000 5.973343 5.757365 5.892564 4.865477 7.193754 2.759588 4.687111 3.974230 3.224716 2.178534 3.678734 4.535118 1.093732 5.744807 5.166303 6.017883 6.956013 4.649272 8.410309 2.680485 3.695628 2.533806 3.075829 5.231040 4.585912 5.130919 1.774863 0.000000 4.887703 5.002310 5.611212 4.166192 6.409170 3.433292 5.483076 4.034086 4.310922 2.169844 4.220864 5.334132 1.094238 6.409022 5.220495 6.363765 7.794758 3.570057 7.611078 3.927434 5.010261 2.505422 2.504337 5.944189 5.063788 6.099543 1.774749 1.771956 0.000000 5.372863 4.251311 2.611017 4.893941 4.759621 5.133466 3.382344 3.360264 6.039516 5.988846 3.775655 6.574496 6.493691 2.182241 2.164616 1.079732 2.797560 6.288120 4.990472 6.950375 5.759242 6.917181 5.686787 5.912387 7.072363 7.420397 5.805659 7.022520 7.315060 0.000000 7.435778 6.535253 4.927728 7.003938 7.206006 5.646068 3.341016 4.776271 5.984327 6.899537 4.449350 6.302608 7.552230 2.162583 4.023668 2.644816 1.091087 8.309374 7.426604 6.974298 5.382134 7.648430 6.890956 5.505203 7.072867 6.858082 7.054622 7.799905 8.539270 2.464507 0.000000 7.503940 6.991109 5.544258 7.473032 7.960265 4.905471 2.699757 4.708984 4.923403 6.270962 3.971865 4.921952 7.168923 2.138176 4.376201 3.242657 1.093172 8.628521 8.234038 5.967072 4.358230 6.813199 6.367816 4.035742 5.736618 5.360918 6.922818 7.341887 8.170854 3.555585 1.778497 0.000000 7.890356 7.013234 5.534404 7.152398 7.925054 4.913095 2.704896 4.700166 4.920374 6.300285 3.972768 5.395551 6.850828 2.137821 4.370831 3.241669 1.093285 8.300042 8.417743 5.814268 4.101562 6.965265 6.570636 4.780328 6.325850 5.780309 6.467244 6.864583 7.915729 3.555327 1.778248 1.759611 0.000000 3.695588 3.014653 4.419884 2.089420 3.293770 6.339499 7.262252 4.944707 7.718093 5.497398 6.114728 8.701136 4.816601 7.405449 5.194101 6.500562 8.841219 1.092150 4.572039 7.803838 8.152201 6.302094 4.949471 8.845480 8.515784 9.690537 4.132855 5.686539 4.490727 6.926911 9.088409 9.506834 9.210222 0.000000 3.015048 2.891631 4.154118 2.089482 3.946493 4.832366 6.135459 3.864326 6.175619 3.815409 4.861260 7.091288 3.248896 6.545774 4.513703 5.889197 8.038770 1.091078 5.174612 6.210476 6.744007 4.545892 3.275407 7.327629 6.827567 8.067663 2.801572 4.225515 2.869851 6.552796 8.470787 8.572729 8.401052 1.789529 0.000000 4.431921 3.525975 4.465202 2.026569 4.242594 5.361216 6.409433 4.348021 6.611289 4.599508 5.278936 7.794869 3.568998 6.722468 4.830063 6.062747 8.128089 1.088193 5.659427 6.573160 6.950885 5.447554 4.391979 8.062259 7.739255 8.694288 2.775846 4.244161 3.386753 6.645692 8.506207 8.836559 8.310021 1.787065 1.787626 0.000000 3.896126 2.983290 2.860263 4.269658 2.086629 7.313941 6.676702 5.053780 8.656373 7.353380 6.254134 9.150808 7.655351 5.945007 4.089545 4.583342 6.912400 5.395357 1.092551 9.371257 8.813609 8.269620 6.540300 8.643286 9.190273 10.198375 6.897520 8.570880 7.962046 4.197500 6.579266 7.472652 7.715545 5.359225 5.775811 6.209754 0.000000 3.039020 2.888853 3.612057 4.251232 2.091287 7.515735 7.393696 5.429985 8.924233 7.226108 6.699912 9.345549 7.529354 6.932921 4.829668 5.667396 8.082039 4.980059 1.092287 9.530557 9.286596 8.026595 6.270437 8.951629 9.176775 10.432516 6.905434 8.552379 7.602696 5.549429 7.920935 8.540100 8.901798 4.739521 5.167788 5.969302 1.791592 0.000000 4.425988 3.530733 4.041193 4.480249 2.030698 8.421949 8.089985 6.188263 9.837613 8.218173 7.493837 10.448030 8.273237 7.464361 5.399477 6.093789 8.512431 5.286696 1.088322 10.424485 10.056014 9.132395 7.380932 10.059824 10.408188 11.516282 7.471434 9.219624 8.389839 5.770110 8.203266 9.139853 9.233124 4.895588 5.807133 6.107058 1.785962 1.788570 0.000000 C11H20N3O3PS C1 1 C1 1 C1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 285.1747609999998 AuxInfo=1/0/N:9;10;11;12;13;14;15;16;17;18;19;6;7;8;3;4;5;2;1;20;21;22;23;24;25;26;27;28;29;30;31;32;33;34;35;36;37;38;39/rA:39nS0P0O0O0O0N0N0N0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:-2.2158,-.9362,1.7345;-2.375,-.0292,.0323;-1.4317,1.2916,-.2287;-2.1352,-.8581,-1.3127;-3.8005,.647,-.2754;2.5211,-1.0584,.037;2.6445,1.25,-.213;.5398,.1125,-.1142;3.9811,-1.151,.0067;1.745,-2.2835,.2513;1.8937,.1384,-.1003;4.6132,-.9606,1.3872;1.281,-2.9227,-1.0594;1.9944,2.4139,-.3358;-.0595,1.2728,-.2183;.6022,2.4934,-.3358;2.8508,3.6432,-.4666;-2.4216,-2.2674,-1.4157;-4.4256,1.5369,.6716;4.2351,-2.1341,-.4004;4.3616,-.3991,-.6844;2.3817,-2.9743,.8107;.8832,-2.0502,.8776;4.3844,.0374,1.7661;4.2335,-1.6985,2.0996;5.7003,-1.0694,1.3298;.6228,-2.2353,-1.5937;2.1313,-3.164,-1.7036;.7311,-3.8475,-.8597;.0621,3.424,-.4259;2.2505,4.55,-.5554;3.5056,3.7333,.4041;3.4937,3.5545,-1.3464;-3.4999,-2.4384,-1.3884;-1.9345,-2.8146,-.6071;-2.0179,-2.5786,-2.3772;-3.8498,2.4619,.7532;-4.5082,1.0571,1.6493;-5.4154,1.7496,.2723; 0.4638098 0.2175214 0.1712225 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= 937 RedAO= T EigKep= 3.59D-06 NBF= 937 NBsUse= 936 1.00D-06 EigRej= 7.71D-07 NBFU= 936 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= 1039 1039 1039 1039 1039 MxSgAt= 39 MxSgA2= 39. 1 Closed 1 1 1 -1561.10147875391 -1561.19077858669 -0.089299832787 -1561.18734112388 0.003437462812 -1561.19305918329 -0.005718059410 -1561.19313724065 -0.000078057357 -1561.19316435266 -0.000027112011 -1561.19316573043 -0.000001377776 -1561.19316589055 -0.000000160116 -1561.19316591803 -0.000000027475 -1561.19316591899 -0.000000000963 -1561.19316591881 0.000000000176 -1561.19316592 11 1.556282285908e+03 -7.461285061561e+03 2.451387270493e+03 Using DIIS extrapolation, IDIIS= 1040. NGot= 4246732800 LenX= 4244488574 LenY= 4243382922 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. PT26220.900S Mon Feb 5 15:19:38 2024 -88.80399 -77.19359 -19.17669 -19.16328 -19.15997 -14.33690 -14.30468 -14.29783 -10.28243 -10.27182 -10.23309 -10.23066 -10.22753 -10.20241 -10.20121 -10.17019 -10.16981 -10.16042 -10.15931 -7.89141 -6.66961 -5.85491 -5.84875 -5.84840 -4.83267 -4.83192 -4.82996 -1.10858 -1.06282 -1.04319 -1.00280 -0.93071 -0.88938 -0.79849 -0.77250 -0.76070 -0.73690 -0.72517 -0.70836 -0.70411 -0.66470 -0.65196 -0.63830 -0.58477 -0.57859 -0.55122 -0.53447 -0.51920 -0.50314 -0.48413 -0.48176 -0.47583 -0.46941 -0.46670 -0.46137 -0.45734 -0.44521 -0.43890 -0.43239 -0.42100 -0.41789 -0.40491 -0.39914 -0.39419 -0.38125 -0.37814 -0.37723 -0.37140 -0.36372 -0.35336 -0.34862 -0.34269 -0.33474 -0.32392 -0.31427 -0.29849 -0.29092 -0.26068 -0.24863 -0.24101 -0.21646 -0.03024 -0.00779 -0.00314 0.00374 0.00817 0.01247 0.01624 0.01977 0.02633 0.02981 0.03352 0.03735 0.03836 0.04114 0.04665 0.05337 0.05497 0.05557 0.06065 0.06367 0.06877 0.07083 0.07331 0.07573 0.07878 0.08447 0.08501 0.08932 0.09352 0.09694 0.09929 0.10035 0.10458 0.10991 0.11479 0.11714 0.11804 0.12196 0.12426 0.12432 0.13002 0.13467 0.14006 0.14590 0.15099 0.15137 0.15628 0.15783 0.16264 0.16291 0.16660 0.16840 0.17146 0.17542 0.18216 0.18434 0.18605 0.18732 0.18866 0.19347 0.19541 0.19846 0.20239 0.20632 0.20795 0.21364 0.21538 0.21751 0.21927 0.22622 0.22647 0.23077 0.23171 0.23799 0.23845 0.24328 0.24426 0.24620 0.25008 0.25523 0.25580 0.26293 0.26548 0.26960 0.27091 0.27231 0.28144 0.28536 0.28906 0.28961 0.29484 0.29782 0.29893 0.30207 0.30602 0.30773 0.30834 0.31671 0.31773 0.31841 0.32108 0.32716 0.32792 0.33123 0.33535 0.33961 0.34336 0.34727 0.34942 0.35535 0.35720 0.36072 0.36521 0.36970 0.37184 0.37570 0.37698 0.38076 0.38578 0.38861 0.39784 0.39906 0.40267 0.40666 0.41321 0.41591 0.42271 0.42445 0.42952 0.43490 0.43728 0.44299 0.44604 0.45073 0.45975 0.46277 0.46785 0.47386 0.47502 0.47622 0.48368 0.48996 0.49225 0.49534 0.50200 0.51121 0.51436 0.51816 0.52142 0.52395 0.53199 0.53406 0.53688 0.54334 0.54805 0.55207 0.55468 0.56666 0.56853 0.57528 0.57749 0.57958 0.58375 0.58940 0.59366 0.60075 0.60694 0.61441 0.61869 0.62113 0.62732 0.62916 0.63602 0.63814 0.64296 0.64709 0.65144 0.65601 0.65838 0.66124 0.66498 0.67145 0.67681 0.67883 0.68487 0.68893 0.69168 0.69580 0.69837 0.70190 0.70721 0.71148 0.71422 0.71511 0.71992 0.72395 0.72880 0.73224 0.73679 0.74576 0.74958 0.75483 0.76036 0.76453 0.76842 0.76870 0.77153 0.77746 0.78359 0.78795 0.79112 0.79911 0.80622 0.80791 0.81116 0.81417 0.83039 0.83509 0.84051 0.84202 0.85483 0.86075 0.86351 0.87394 0.87752 0.88062 0.88400 0.89617 0.90424 0.90897 0.91371 0.91952 0.92604 0.93154 0.93680 0.94078 0.94528 0.94830 0.95759 0.96014 0.97109 0.97156 0.97780 0.98087 0.98744 0.99700 0.99716 1.00135 1.00309 1.01116 1.02036 1.02198 1.02422 1.03798 1.04068 1.04282 1.05103 1.05755 1.06119 1.06443 1.06547 1.07856 1.08783 1.08983 1.09685 1.09912 1.10348 1.11387 1.11802 1.12157 1.12435 1.12731 1.13669 1.13824 1.14296 1.14885 1.15051 1.15449 1.16125 1.16493 1.17599 1.17669 1.17993 1.18816 1.19304 1.19780 1.20130 1.20762 1.21529 1.21847 1.22431 1.22730 1.23099 1.23576 1.23906 1.25083 1.25200 1.25825 1.26329 1.27085 1.27861 1.28492 1.28920 1.29153 1.29545 1.30154 1.30601 1.30841 1.31476 1.31880 1.32488 1.33088 1.33451 1.34483 1.34958 1.35361 1.35805 1.36033 1.36812 1.37153 1.37903 1.37990 1.38925 1.39564 1.40108 1.40797 1.41193 1.41838 1.42164 1.42950 1.43294 1.43810 1.44591 1.45025 1.45671 1.46242 1.46618 1.47201 1.47510 1.49050 1.49645 1.51045 1.51142 1.51798 1.52487 1.52850 1.53609 1.53999 1.54811 1.55082 1.55939 1.56936 1.57226 1.58340 1.59649 1.60340 1.60660 1.61337 1.63251 1.63588 1.64554 1.65373 1.68551 1.69090 1.69727 1.70116 1.71015 1.72032 1.73938 1.74094 1.74862 1.76126 1.77197 1.78181 1.79439 1.80804 1.81179 1.83133 1.83340 1.84460 1.85013 1.85240 1.86662 1.86734 1.87084 1.88213 1.88866 1.89553 1.91532 1.92144 1.92950 1.93433 1.93878 1.94510 1.95104 1.95985 1.97241 1.97812 1.98082 1.98524 1.99546 2.00567 2.01014 2.02563 2.03551 2.04684 2.05435 2.06069 2.07474 2.07815 2.08009 2.08431 2.09560 2.10343 2.10899 2.11213 2.12620 2.13324 2.14377 2.15067 2.16237 2.16638 2.16907 2.18043 2.18393 2.19496 2.20019 2.22144 2.22891 2.24363 2.25622 2.27038 2.27505 2.29106 2.29635 2.30482 2.31423 2.32688 2.33650 2.34920 2.35845 2.37962 2.38734 2.41392 2.42153 2.45051 2.45782 2.46786 2.48911 2.50397 2.51506 2.51999 2.54168 2.56271 2.57511 2.61061 2.62816 2.64187 2.67067 2.69016 2.70305 2.71526 2.72445 2.73769 2.75728 2.76223 2.77265 2.78115 2.79056 2.79395 2.79758 2.80905 2.82145 2.82882 2.83467 2.84979 2.85730 2.86562 2.87134 2.88120 2.89067 2.90650 2.91286 2.92079 2.92334 2.94007 2.94951 2.95708 2.96202 2.96478 2.97144 2.97652 2.98676 2.99125 3.00018 3.00490 3.01733 3.02105 3.02553 3.03968 3.04245 3.05291 3.06654 3.07726 3.09232 3.09488 3.10632 3.11776 3.12710 3.14138 3.15448 3.16098 3.18251 3.19221 3.20283 3.21175 3.21989 3.22323 3.23258 3.24938 3.25856 3.27630 3.29329 3.29471 3.29946 3.30774 3.31034 3.31687 3.32213 3.33202 3.33802 3.34059 3.34434 3.35011 3.36257 3.37383 3.38232 3.39099 3.40810 3.43005 3.43783 3.44753 3.46954 3.47357 3.49284 3.49652 3.50821 3.51832 3.53218 3.54183 3.54971 3.55875 3.56706 3.57275 3.58255 3.59818 3.60760 3.61331 3.62207 3.62851 3.64013 3.64332 3.64763 3.67211 3.68111 3.69025 3.70311 3.71036 3.72523 3.73320 3.74873 3.76352 3.76527 3.78383 3.80019 3.81176 3.82401 3.83106 3.85590 3.86170 3.87320 3.88471 3.89601 3.91241 3.91685 3.95399 3.97694 3.99173 4.00265 4.02941 4.03139 4.05610 4.07674 4.09309 4.11447 4.12651 4.12826 4.13617 4.16192 4.17218 4.17534 4.19145 4.20199 4.21984 4.22387 4.22623 4.22752 4.24166 4.25551 4.26156 4.26857 4.27281 4.28398 4.28768 4.29405 4.29683 4.30867 4.31293 4.33004 4.33238 4.34007 4.34595 4.35520 4.36505 4.37439 4.37691 4.38776 4.39079 4.39517 4.40860 4.41826 4.43351 4.44603 4.44892 4.45879 4.46356 4.46997 4.47516 4.47905 4.48800 4.49128 4.49828 4.49936 4.51390 4.52436 4.53547 4.54747 4.54948 4.57070 4.59441 4.59716 4.61196 4.62907 4.65206 4.66387 4.67526 4.69425 4.70333 4.71325 4.71463 4.72141 4.75373 4.76181 4.76741 4.77577 4.78219 4.79959 4.82967 4.84151 4.86892 4.87948 4.89176 4.91017 4.93234 4.95842 4.96663 4.96977 5.01419 5.05840 5.08667 5.09145 5.09612 5.12847 5.15148 5.15782 5.19469 5.20975 5.23078 5.24228 5.26635 5.28598 5.29766 5.29934 5.32629 5.33710 5.35996 5.40407 5.42662 5.43929 5.45393 5.47485 5.48951 5.51409 5.52389 5.55181 5.56826 5.60837 5.61819 5.63352 5.64080 5.67575 5.68241 5.70570 5.72568 5.76846 5.77232 5.78155 5.79313 5.80190 5.80689 5.82268 5.82483 5.83156 5.85157 5.85514 5.86733 5.87110 5.92602 5.94686 5.95990 5.97159 5.98979 6.02104 6.16382 6.23217 6.28127 6.34313 6.39606 6.44656 6.47277 6.56655 6.81544 7.07427 7.13663 7.19721 7.21670 7.22148 7.23921 7.24550 7.27007 7.27639 7.28641 7.33111 7.33523 7.34408 7.36254 7.36974 7.40808 7.42730 7.44788 7.45190 7.46455 7.47918 7.50725 7.52248 7.55865 7.61932 7.65585 7.69363 7.70494 7.71492 7.81969 7.85248 7.88748 7.92278 7.92809 7.93235 7.94351 7.94911 7.96687 7.97403 8.00026 8.05783 8.09736 8.10959 8.12208 8.14169 8.19642 8.22462 8.25305 8.27662 8.30414 8.31143 8.31391 8.33695 8.39046 8.39871 8.49916 8.58839 8.63689 10.41627 10.47327 10.55991 10.60892 10.62115 10.63889 10.75510 10.77498 10.92097 11.05454 11.17751 11.28221 11.47100 11.51287 11.72919 14.24621 14.28923 14.30864 14.38346 14.39087 14.40136 14.42207 14.43634 14.45416 14.48871 14.50875 14.54451 14.70070 14.80352 14.81043 14.91055 14.91914 15.06537 17.53842 17.56747 17.79267 24.26686 24.27795 24.29532 24.33201 24.40135 24.49100 24.51290 24.64001 25.22856 25.25427 25.58840 36.17630 36.33474 36.44290 50.14756 50.16642 50.25693 164.36902 189.37032 1-A. Mulliken charges: 1 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 S P O O O N N N C C C C C C C C C C C H H H H H H H H H H H H H H H H H H H H -0.700391 1.332632 -0.701868 -0.471904 -0.509040 -0.410224 -1.036641 -0.914890 -0.154668 -0.148631 0.898920 -0.372642 -0.413376 0.661698 0.837135 -0.440049 -0.283323 -0.114534 -0.168924 0.140117 0.166834 0.140513 0.211612 0.163999 0.134621 0.138163 0.172480 0.133735 0.142505 0.128201 0.130779 0.154018 0.153477 0.155787 0.188196 0.151656 0.166917 0.184297 0.152814 -0.00000 0.4653 -0.0193 -1.2749 1.3573 -119.0864 -114.7198 -134.0188 -5.1398 1.6941 4.7707 3.5220 7.8885 -11.4105 -5.1398 1.6941 4.7707 -58.2732 12.9269 -15.0005 -9.5724 9.3843 -0.5042 -3.1808 -3.2865 -11.8453 -19.9113 -5348.5949 -2449.5414 -786.5546 -172.2000 -21.1741 18.2528 9.1135 26.3023 15.5955 -1264.3226 -1096.7587 -556.1555 57.2705 20.9064 3.6773 (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A) (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(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-BELVIS14 APULGAR 2024-02-05T00:00:00.000 0 Single Point Pirimiphos-methyl CONF1 gas 0 1 Version=EM64L-G16RevC.01 State=1-A HF=-1561.1931659 RMSD=6.837e-09 Dipole=-0.1843228,0.0226225,0.5006614 Quadrupole=2.2740437,5.5833348,-7.8573785,3.7744644,1.1698084,-4.5523889 PG=C01 [X(C11H20N3O3P1S1)] 0 2.2858014526 -1.0440919327 -1.6824991055 0 2.3982231897 -0.0032728368 -0.0547537359 0 1.3959772715 1.290013678 0.1041420355 0 2.1907855805 -0.7367992169 1.349698224 0 3.7910345253 0.757567727 0.2004324024 0 -2.4470637766 -1.247888642 0.0185527433 0 -2.6742036555 1.0650231454 0.0910250895 0 -0.5205101936 0.0185872384 0.0799558372 0 -3.9015320046 -1.4031577764 0.0556714603 0 -1.616266588 -2.4498880334 -0.101160144 0 -1.8740995868 -0.0172406599 0.0638815072 0 -4.5365285757 -1.3474146757 -1.335470418 0 -1.1289066552 -2.9655777517 1.2547229982 0 -2.0771071383 2.2628075105 0.124441505 0 0.0260442807 1.2090947424 0.0950199745 0 -0.6897947982 2.4042599371 0.1186406948 0 -2.9879089818 3.4589684797 0.160618924 0 2.539422636 -2.119864671 1.5603763384 0 4.3792048981 1.599545364 -0.8117440579 0 -4.1129399519 -2.3626936922 0.5367554924 0 -4.3177241896 -0.6184222101 0.6870672126 0 -2.2195313753 -3.2092075549 -0.6061181868 0 -0.763552225 -2.2267824234 -0.7433396142 0 -4.3511367148 -0.3721339602 -1.7896812323 0 -4.1217457294 -2.1199260895 -1.9892033016 0 -5.6179069884 -1.500066875 -1.2701326339 0 -0.5040125708 -2.2104947255 1.7349513648 0 -1.9699602658 -3.1946699387 1.9153245571 0 -0.5376406505 -3.8773456945 1.1265021757 0 -0.1921181561 3.3622748382 0.1372535714 0 -2.4290158507 4.3958460904 0.1798571502 0 -3.6429860517 3.4527524891 -0.7145158485 0 -3.6294213121 3.4091443438 1.0445027459 0 3.6244017367 -2.2440271756 1.5463825987 0 2.0801135959 -2.7485458664 0.7960167779 0 2.1466273804 -2.3743575485 2.5427757033 0 3.763030529 2.488814449 -0.9640516381 0 4.4866285959 1.0505349088 -1.7499014716 0 5.3571224125 1.8862663801 -0.4297589746