Gaussian 16 GINC-FRESNEDILLAS APULGAR Optimization pyridate CONF5 octanol EM64L-G16RevC.01 27-Apr-2023 Gaussian 16 3-Jul-2019 EM64L-G16RevC.01 48 48 100 100 704 (5D, 7F) 6-311+G(d,p) 138 138 C1[X(C19H23ClN2O2S)] C1[X(C19H23ClN2O2S)] RB3LYP 6-311+G(d,p) FOpt #P B3LYP 6-311+G(d,p) EmpiricalDispersion=gd3 scrf=(smd,Solvent=n-Octanol) opt freq 355.7334999999997 0 1 AuxInfo=1/0/N:7;8;9;10;11;12;13;14;15;16;17;18;19;20;21;22;23;24;25;1;5;6;3;4;2;26;27;28;29;30;31;32;33;34;35;36;37;38;39;40;41;42;43;44;45;46;47;48/rA:48nCl0S0O0O0N0N0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:-6.3447,-1.7294,-.7283;.9534,-2.6687,.3934;-1.3074,-1.9727,-.4539;-.922,-1.2681,1.6479;-3.5386,.8582,-.6969;-4.7088,.2666,-.7215;4.0037,.8204,1.2582;4.9956,1.2259,.1769;3.417,-.5684,1.0466;5.5629,2.6245,.381;2.3536,-.9111,2.08;6.5617,3.0367,-.6922;1.8032,-2.322,1.9644;7.1275,4.4312,-.4698;-.5567,-1.8433,.6672;-2.4532,-1.235,-.5354;-2.4151,.1658,-.6213;-1.1598,.9397,-.606;-.0892,.598,-1.431;-1.0545,2.0497,.2308;-3.6618,-1.8709,-.565;1.0695,1.3607,-1.4174;.1086,2.8028,.2473;1.172,2.4616,-.5784;-4.7715,-1.0394,-.6734;3.1902,1.5529,1.2953;4.4928,.8637,2.2372;4.5067,1.1716,-.8024;5.8164,.5009,.1445;4.217,-1.3159,1.0811;2.9859,-.6276,.0422;6.0435,2.6812,1.3641;4.7406,3.3486,.4063;2.7782,-.8226,3.0853;1.5389,-.1841,2.03;7.3809,2.3114,-.7227;6.0798,2.9898,-1.6739;2.61,-3.0571,1.9956;1.1229,-2.5643,2.7809;6.3382,5.1859,-.4686;7.8403,4.7054,-1.2492;7.6474,4.5012,.4881;-.1632,-.241,-2.111;-1.8812,2.3168,.8768;-3.7466,-2.9472,-.4972;1.8896,1.0973,-2.0727;.184,3.6594,.9047;2.0769,3.0558,-.5716; g16 /usr/local/gaussian/gaussian16/g16/l1.exe "/temporal/apulgar/opt-b3lyp-pople.com-5075277/Gau-37942.inp" -scrdir="/temporal/apulgar/opt-b3lyp-pople.com-5075277/" chk=/home/apulgar/almacen/pesticidas/6_herbicides/pyridate/gaussian/octanol/CON #P B3LYP 6-311+G(d,p) EmpiricalDispersion=gd3 scrf=(smd,Solvent=n-Octa 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=1,70=32201,71=1,72=25,74=-5,124=31/1,2,3 4//1 5/5=2,38=5,53=25/2 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=1,70=32205,71=1,72=25,74=-5,124=31/1,2,3 4/5=5,16=3,69=1/1 5/5=2,38=5,53=25/2 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 pyridate CONF5 octanol 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 35 32 16 16 14 14 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 34.9688527 31.9720718 15.9949146 15.9949146 14.0030740 14.0030740 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 3 0 0 0 2 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 -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 R40 R41 R42 R43 R44 R45 R46 R47 R48 R49 1 2 2 3 3 4 5 5 6 7 7 7 7 8 8 8 9 9 9 10 10 10 11 11 11 12 12 12 13 13 14 14 14 16 16 17 18 18 19 19 20 20 21 21 22 22 23 23 24 25 13 15 15 16 15 6 17 25 8 9 26 27 10 28 29 11 30 31 12 32 33 13 34 35 14 36 37 38 39 40 41 42 17 21 18 19 20 22 43 23 44 25 45 24 46 24 47 48 1.7187 1.8194 1.7426 1.3555 1.3652 1.1942 1.3114 1.3219 1.3084 1.5223 1.5224 1.0953 1.0953 1.5229 1.0959 1.0956 1.5219 1.0954 1.0946 1.5229 1.0957 1.096 1.5189 1.0948 1.0931 1.5213 1.0946 1.0945 1.0919 1.09 1.092 1.0912 1.0921 1.404 1.3661 1.4747 1.3941 1.3941 1.3872 1.0825 1.3857 1.0826 1.3909 1.0817 1.388 1.0822 1.3889 1.0824 1.0826 estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|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 A69 A70 A71 A72 A73 A74 A75 A76 A77 A78 A79 A80 A81 A82 A83 A84 A85 13 15 6 5 8 8 8 9 9 26 7 7 7 10 10 28 7 7 7 11 11 30 8 8 8 12 12 32 9 9 9 13 13 34 10 10 10 14 14 36 2 2 2 11 11 38 12 12 12 40 40 41 2 2 3 3 3 17 5 5 16 17 17 19 18 18 22 18 18 23 16 16 25 19 19 24 20 20 24 22 22 23 1 1 6 2 3 5 6 7 7 7 7 7 7 8 8 8 8 8 8 9 9 9 9 9 9 10 10 10 10 10 10 11 11 11 11 11 11 12 12 12 12 12 12 13 13 13 13 13 13 14 14 14 14 14 14 15 15 15 16 16 16 17 17 17 18 18 18 19 19 19 20 20 20 21 21 21 22 22 22 23 23 23 24 24 24 25 25 25 15 16 17 25 9 26 27 26 27 27 10 28 29 28 29 29 11 30 31 30 31 31 12 32 33 32 33 33 13 34 35 34 35 35 14 36 37 36 37 37 11 38 39 38 39 39 40 41 42 41 42 42 3 4 4 17 21 21 16 18 18 19 20 20 22 43 43 23 44 44 25 45 45 24 46 46 24 47 47 23 48 48 6 21 21 100.299 117.5545 121.5472 119.4968 113.2941 109.2589 109.4722 109.1801 109.4171 105.9555 113.0911 109.3138 109.442 109.3577 109.428 105.9594 112.353 109.6744 109.1852 109.588 109.6153 106.2381 113.4808 109.3403 109.2856 109.305 109.2338 105.9177 114.2478 109.533 109.8749 106.5899 110.1352 106.0958 112.8958 109.333 109.3767 109.4569 109.5214 106.025 114.3312 103.9737 108.2382 110.8195 112.0622 106.8614 111.3924 111.6439 111.3457 107.4158 107.3935 107.4222 107.7413 128.4849 123.7676 121.3338 119.492 119.1571 120.1985 116.6933 123.0973 121.2627 119.228 119.4966 120.0589 120.6065 119.3024 120.2156 119.7995 119.9818 115.4182 122.0838 122.4945 120.2415 119.5481 120.2076 120.1337 119.7213 120.1449 119.8513 120.0549 120.0931 116.327 119.517 124.1502 estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2 D1 D2 D3 D4 D5 D6 D7 D8 D9 D10 D11 D12 D13 D14 D15 D16 D17 D18 D19 D20 D21 D22 D23 D24 D25 D26 D27 D28 D29 D30 D31 D32 D33 D34 D35 D36 D37 D38 D39 D40 D41 D42 D43 D44 D45 D46 D47 D48 D49 D50 D51 D52 D53 D54 D55 D56 D57 D58 D59 D60 D61 D62 D63 D64 D65 D66 D67 D68 D69 D70 D71 D72 D73 D74 D75 D76 D77 D78 D79 D80 D81 D82 D83 D84 D85 D86 D87 D88 D89 D90 D91 D92 D93 D94 D95 D96 D97 D98 D99 D100 D101 D102 D103 D104 D105 D106 D107 D108 D109 D110 D111 D112 D113 D114 D115 D116 D117 15 15 15 13 13 16 16 15 15 17 6 6 5 5 9 9 9 26 26 26 27 27 27 8 8 8 26 26 26 27 27 27 7 7 7 28 28 28 29 29 29 7 7 7 30 30 30 31 31 31 8 8 8 32 32 32 33 33 33 9 9 9 34 34 34 35 35 35 10 10 10 36 36 36 37 37 37 3 3 21 21 3 3 17 17 5 5 16 16 17 17 20 20 17 17 19 19 18 18 43 43 18 18 44 44 16 16 45 45 19 19 46 46 20 20 47 47 2 2 2 2 2 3 3 3 3 5 5 5 6 6 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 8 8 8 8 8 8 8 8 8 9 9 9 9 9 9 9 9 9 10 10 10 10 10 10 10 10 10 11 11 11 11 11 11 11 11 11 12 12 12 12 12 12 12 12 12 16 16 16 16 16 16 16 16 17 17 17 17 18 18 18 18 18 18 18 18 19 19 19 19 20 20 20 20 21 21 21 21 22 22 22 22 23 23 23 23 13 13 13 15 15 15 15 16 16 6 17 17 25 25 8 8 8 8 8 8 8 8 8 9 9 9 9 9 9 9 9 9 10 10 10 10 10 10 10 10 10 11 11 11 11 11 11 11 11 11 12 12 12 12 12 12 12 12 12 13 13 13 13 13 13 13 13 13 14 14 14 14 14 14 14 14 14 17 17 17 17 21 21 21 21 18 18 18 18 19 19 19 19 20 20 20 20 22 22 22 22 23 23 23 23 25 25 25 25 24 24 24 24 24 24 24 24 11 38 39 3 4 2 4 17 21 25 16 18 1 21 10 28 29 10 28 29 10 28 29 11 30 31 11 30 31 11 30 31 12 32 33 12 32 33 12 32 33 13 34 35 13 34 35 13 34 35 14 36 37 14 36 37 14 36 37 2 38 39 2 38 39 2 38 39 40 41 42 40 41 42 40 41 42 5 18 5 18 25 45 25 45 19 20 19 20 22 43 22 43 23 44 23 44 24 46 24 46 24 47 24 47 1 6 1 6 23 48 23 48 22 48 22 48 -76.3487 162.6882 49.3154 178.0932 -2.7918 -170.5456 10.2878 66.638 -114.88 -0.1569 -1.4015 179.7635 -179.3428 1.5437 179.0855 56.996 -58.6417 57.1254 -64.9641 179.3982 -58.4937 179.4167 63.7791 -175.77 62.0897 -53.94 -53.7659 -175.9062 68.0641 61.7786 -60.3617 -176.3914 179.7195 57.4113 -58.1042 -58.2155 179.4763 63.9608 57.439 -64.8693 179.6153 -176.2233 -56.7471 59.4241 -54.034 65.4422 -178.3866 62.1918 -178.3319 -62.1608 -179.5716 -57.4739 58.2166 -57.2437 64.854 -179.4556 58.2234 -179.6789 -63.9885 -62.2939 54.8012 174.0729 176.587 -66.3178 52.9538 61.9197 179.0148 -61.7135 -59.9446 179.9705 59.9093 178.0273 57.9424 -62.1188 62.1859 -57.899 -177.9601 -179.8824 -1.1249 1.6306 -179.6118 -178.8688 1.7963 -0.3535 -179.6885 -132.3149 46.3835 48.887 -132.4146 178.6018 0.6797 -0.0932 -178.0153 -179.0748 1.5592 -0.3531 -179.7191 0.3705 -179.0286 178.3197 -1.0794 0.5237 -179.6197 179.8885 -0.2549 179.6778 -1.2353 -0.9903 178.0967 -0.2017 -179.8855 179.1934 -0.4904 -0.2456 179.438 179.8983 -0.418 estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|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 729 A 704 A 1115 729 2460.5779887589 48 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= 704 RedAO= T EigKep= 1.03D-06 NBF= 704 NBsUse= 702 1.00D-06 EigRej= 7.01D-07 NBFU= 702 Berny optimization. local minimum Step number 18 out of a maximum of 261 All quantities printed in internal units (Hartrees-Bohrs-Radians) 0.00325 0.00416 0.00443 0.00463 0.00477 0.00484 0.00537 0.01084 0.01355 0.01700 0.01889 0.02071 0.02133 0.02213 0.02217 0.02230 0.02242 0.02253 0.02257 0.02269 0.02328 0.02381 0.02465 0.02531 0.02705 0.02862 0.03330 0.03496 0.03531 0.03555 0.03574 0.03629 0.04656 0.04848 0.04869 0.04887 0.04891 0.04903 0.04954 0.05169 0.05528 0.05585 0.05658 0.08346 0.08469 0.08484 0.08519 0.08544 0.08648 0.08925 0.11699 0.12189 0.12283 0.12306 0.12322 0.12386 0.12690 0.13630 0.14786 0.15835 0.15897 0.15996 0.15999 0.16000 0.16002 0.16021 0.16032 0.16128 0.19311 0.21804 0.21890 0.21914 0.21942 0.22001 0.22020 0.22452 0.22821 0.23000 0.23602 0.24272 0.24790 0.24854 0.24993 0.25009 0.25389 0.25594 0.26053 0.29742 0.30018 0.30080 0.30119 0.30194 0.30252 0.30411 0.31221 0.31971 0.33433 0.34082 0.34136 0.34161 0.34173 0.34200 0.34234 0.34253 0.34289 0.34292 0.34342 0.34423 0.34574 0.34578 0.34637 0.34719 0.34826 0.34984 0.35622 0.35692 0.35714 0.35740 0.35770 0.35794 0.36571 0.40089 0.42685 0.43207 0.44512 0.46096 0.47271 0.47491 0.47755 0.48751 0.49828 0.51694 0.52400 0.58884 0.60140 0.60797 0.97242 1.07338 -2.14497269e-09 R1 R2 R3 R4 R5 R6 R7 R8 R9 R10 R11 R12 R13 R14 R15 R16 R17 R18 R19 R20 R21 R22 R23 R24 R25 R26 R27 R28 R29 R30 R31 R32 R33 R34 R35 R36 R37 R38 R39 R40 R41 R42 R43 R44 R45 R46 R47 R48 R49 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 A69 A70 A71 A72 A73 A74 A75 A76 A77 A78 A79 A80 A81 A82 A83 A84 A85 D1 D2 D3 D4 D5 D6 D7 D8 D9 D10 D11 D12 D13 D14 D15 D16 D17 D18 D19 D20 D21 D22 D23 D24 D25 D26 D27 D28 D29 D30 D31 D32 D33 D34 D35 D36 D37 D38 D39 D40 D41 D42 D43 D44 D45 D46 D47 D48 D49 D50 D51 D52 D53 D54 D55 D56 D57 D58 D59 D60 D61 D62 D63 D64 D65 D66 D67 D68 D69 D70 D71 D72 D73 D74 D75 D76 D77 D78 D79 D80 D81 D82 D83 D84 D85 D86 D87 D88 D89 D90 D91 D92 D93 D94 D95 D96 D97 D98 D99 D100 D101 D102 D103 D104 D105 D106 D107 D108 D109 D110 D111 D112 D113 D114 D115 D116 D117 3.31056 3.48960 3.32721 2.60421 2.61581 2.27032 2.52013 2.52522 2.48958 2.89239 2.89308 2.07239 2.07440 2.89305 2.07395 2.07483 2.89079 2.07437 2.07005 2.89449 2.07506 2.07541 2.88625 2.07393 2.06641 2.89169 2.07347 2.07373 2.06588 2.06109 2.07029 2.06864 2.07023 2.66951 2.59025 2.79899 2.64855 2.64778 2.63175 2.04684 2.63013 2.04752 2.63895 2.04391 2.63437 2.04823 2.63697 2.04905 2.04812 1.73128 2.04754 2.11734 2.08024 1.97779 1.90322 1.91151 1.90063 1.91117 1.85548 1.97851 1.90228 1.91093 1.90551 1.90884 1.85359 1.96200 1.91528 1.90082 1.91403 1.90838 1.86049 1.98166 1.90860 1.90576 1.90659 1.90459 1.85217 2.00692 1.91128 1.91526 1.85537 1.91036 1.85817 1.97344 1.90596 1.90460 1.91114 1.91068 1.85420 2.00401 1.80223 1.86676 1.94482 1.95012 1.88654 1.93905 1.94689 1.93904 1.87928 1.87734 1.87919 1.88970 2.23537 2.15809 2.12139 2.07217 2.08917 2.09234 2.03981 2.15096 2.11147 2.08758 2.08402 2.09726 2.09550 2.09031 2.09755 2.08563 2.09994 2.01472 2.12373 2.14457 2.09790 2.08749 2.09779 2.09792 2.08916 2.09609 2.09168 2.09513 2.09635 2.02772 2.08338 2.17203 -1.24809 2.91444 0.92624 3.08003 -0.07009 -2.98237 0.16729 1.20284 -1.97164 -0.00770 -0.02029 3.13388 -3.12650 0.02730 3.11010 0.98414 -1.03652 0.99018 -1.13579 3.12674 -1.03359 3.12363 1.10296 -3.03530 1.11288 -0.91764 -0.91392 -3.04892 1.20373 1.10822 -1.02679 -3.05732 -3.11206 1.03701 -0.98261 -0.98790 -3.12202 1.14156 1.03341 -1.10071 -3.12032 -3.09487 -1.00771 1.02601 -0.95916 1.12801 -3.12146 1.07499 -3.12103 -1.08731 3.14138 -1.00939 1.01054 -1.00657 1.12584 -3.13741 1.01128 -3.13949 -1.11956 -1.07607 0.96488 3.07735 3.08924 -1.15300 0.95948 1.08882 3.12977 -1.04094 -1.04309 -3.14009 1.04620 3.11059 1.01358 -1.08331 1.08435 -1.01266 -3.10955 3.13853 -0.01647 0.03014 -3.12487 -3.12138 0.03879 -0.01204 -3.13507 -2.36260 0.76235 0.79202 -2.36621 3.12100 -0.00469 -0.00398 -3.12968 -3.12930 0.02506 -0.00409 -3.13291 0.00865 -3.13317 3.13439 -0.00743 0.00753 -3.12881 3.13624 -0.00009 3.13749 -0.01667 -0.02292 3.10610 -0.00521 3.12975 3.13661 -0.01161 -0.00288 -3.13784 3.13344 -0.00153 0.00000 -0.00000 -0.00000 -0.00000 0.00001 -0.00000 -0.00001 0.00001 -0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 -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 -0.00001 -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 -0.00001 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 -0.00001 -0.00000 0.00000 -0.00000 -0.00001 -0.00001 -0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 -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 -0.00000 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 0.00001 -0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00001 0.00000 -0.00001 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 -0.00001 0.00002 0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00001 -0.00001 0.00001 -0.00001 0.00001 -0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00001 0.00000 -0.00001 0.00001 -0.00000 0.00000 0.00000 0.00000 -0.00000 0.00001 -0.00001 -0.00001 0.00001 -0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 0.00001 0.00001 -0.00001 0.00000 -0.00001 0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00001 0.00001 0.00003 -0.00003 0.00000 -0.00001 -0.00002 0.00002 0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00001 0.00001 0.00000 0.00002 0.00001 0.00000 -0.00005 0.00001 -0.00001 -0.00007 -0.00005 -0.00007 -0.00000 0.00000 -0.00004 0.00000 0.00001 -0.00000 -0.00001 -0.00001 0.00000 -0.00001 -0.00001 -0.00001 -0.00002 -0.00002 -0.00006 -0.00005 -0.00006 -0.00006 -0.00006 -0.00006 -0.00005 -0.00005 -0.00005 0.00008 0.00009 0.00009 0.00009 0.00010 0.00010 0.00010 0.00011 0.00011 0.00002 0.00001 0.00002 0.00001 0.00000 0.00002 0.00002 0.00001 0.00002 0.00003 0.00002 0.00003 0.00001 0.00001 0.00001 0.00001 0.00001 0.00001 0.00002 0.00004 0.00003 0.00003 0.00005 0.00004 0.00002 0.00004 0.00004 0.00001 0.00001 0.00001 0.00001 0.00001 0.00001 0.00001 0.00001 0.00001 -0.00002 0.00003 0.00000 0.00005 0.00002 0.00003 -0.00000 0.00001 -0.00003 -0.00003 -0.00008 -0.00007 0.00002 0.00001 0.00001 0.00000 -0.00001 -0.00000 -0.00001 0.00000 -0.00001 -0.00000 -0.00000 0.00001 -0.00000 0.00000 -0.00001 -0.00001 0.00000 -0.00000 -0.00001 -0.00001 0.00000 0.00000 -0.00001 -0.00000 0.00001 0.00000 -0.00000 -0.00000 0.00002 0.00002 0.00001 -0.00000 0.00001 0.00000 -0.00001 0.00001 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00001 0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00001 0.00001 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00004 0.00000 0.00001 0.00001 0.00000 -0.00000 -0.00001 0.00000 -0.00000 0.00001 0.00000 -0.00000 -0.00000 -0.00000 -0.00001 -0.00002 0.00001 -0.00000 0.00001 0.00001 -0.00001 -0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00001 0.00001 0.00001 -0.00001 0.00001 -0.00000 -0.00001 0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00003 0.00001 0.00001 0.00001 0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 0.00001 -0.00000 -0.00001 -0.00002 0.00001 0.00001 -0.00001 0.00002 -0.00001 -0.00000 0.00001 -0.00001 0.00001 0.00001 -0.00001 0.00000 0.00000 -0.00001 -0.00001 -0.00001 0.00002 0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00001 -0.00000 0.00001 0.00000 -0.00000 -0.00000 -0.00003 -0.00003 -0.00004 0.00002 -0.00000 0.00004 0.00006 0.00000 0.00003 -0.00002 -0.00003 0.00000 0.00000 0.00004 0.00000 -0.00000 0.00000 0.00001 0.00000 0.00001 0.00001 0.00001 0.00001 -0.00002 -0.00003 -0.00002 -0.00002 -0.00003 -0.00002 -0.00002 -0.00003 -0.00003 0.00001 0.00002 0.00001 0.00002 0.00003 0.00002 0.00002 0.00002 0.00001 -0.00001 0.00001 -0.00000 -0.00000 0.00002 0.00001 -0.00000 0.00002 0.00001 0.00004 0.00004 0.00004 0.00004 0.00004 0.00004 0.00005 0.00005 0.00005 -0.00001 -0.00001 0.00000 -0.00003 -0.00004 -0.00002 -0.00003 -0.00003 -0.00001 0.00000 0.00001 0.00001 0.00000 0.00001 0.00001 0.00000 0.00001 0.00001 0.00008 0.00005 0.00005 0.00002 -0.00006 -0.00003 -0.00003 -0.00001 -0.00004 -0.00003 -0.00001 0.00000 0.00002 0.00004 0.00000 0.00003 -0.00002 -0.00002 -0.00000 -0.00001 0.00001 0.00001 -0.00002 -0.00002 -0.00000 -0.00001 0.00000 -0.00001 0.00003 -0.00001 0.00000 -0.00004 -0.00001 0.00001 -0.00001 0.00001 0.00001 -0.00001 0.00002 0.00000 0.00002 0.00001 0.00001 -0.00001 0.00002 -0.00000 -0.00002 0.00002 0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00001 0.00000 -0.00000 -0.00001 -0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00002 0.00001 -0.00001 0.00000 0.00000 -0.00001 -0.00000 0.00000 -0.00000 -0.00001 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00001 -0.00002 0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00001 0.00000 0.00000 0.00000 0.00001 -0.00001 0.00001 -0.00001 -0.00000 -0.00002 0.00001 -0.00000 0.00001 0.00000 -0.00000 -0.00000 -0.00001 0.00001 -0.00000 0.00000 0.00001 0.00001 0.00000 -0.00001 0.00001 -0.00001 0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00003 0.00003 0.00000 0.00001 -0.00001 0.00001 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00001 -0.00001 0.00000 0.00001 -0.00003 0.00002 -0.00002 0.00000 0.00001 -0.00000 0.00001 -0.00001 0.00001 0.00001 -0.00001 0.00000 0.00000 -0.00001 -0.00001 -0.00001 0.00002 0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00001 -0.00000 0.00000 -0.00000 -0.00001 -0.00002 -0.00004 -0.00003 0.00000 0.00003 -0.00000 -0.00005 -0.00004 -0.00002 -0.00003 -0.00004 0.00001 0.00005 0.00000 -0.00001 -0.00001 0.00001 -0.00001 -0.00000 0.00001 -0.00001 -0.00001 -0.00007 -0.00008 -0.00008 -0.00007 -0.00008 -0.00008 -0.00007 -0.00008 -0.00008 0.00010 0.00011 0.00010 0.00012 0.00013 0.00012 0.00011 0.00013 0.00012 0.00000 0.00002 0.00002 0.00001 0.00003 0.00003 0.00002 0.00003 0.00003 0.00007 0.00007 0.00007 0.00006 0.00005 0.00006 0.00006 0.00006 0.00006 0.00000 0.00002 0.00003 -0.00001 0.00001 0.00002 -0.00001 0.00001 0.00002 0.00001 0.00002 0.00001 0.00002 0.00002 0.00002 0.00001 0.00002 0.00002 0.00006 0.00007 0.00005 0.00007 -0.00004 -0.00001 -0.00003 0.00000 -0.00008 -0.00006 -0.00009 -0.00007 0.00003 0.00005 0.00001 0.00003 -0.00003 -0.00003 -0.00001 -0.00001 -0.00000 0.00001 -0.00002 -0.00001 -0.00000 -0.00001 -0.00001 -0.00001 0.00003 -0.00002 -0.00001 -0.00005 -0.00001 0.00001 -0.00002 0.00000 0.00001 -0.00001 0.00002 -0.00000 3.31058 3.48961 3.32722 2.60420 2.61584 2.27032 2.52011 2.52523 2.48958 2.89240 2.89308 2.07239 2.07440 2.89305 2.07396 2.07483 2.89078 2.07437 2.07005 2.89449 2.07506 2.07541 2.88626 2.07393 2.06640 2.89170 2.07347 2.07372 2.06588 2.06109 2.07029 2.06864 2.07023 2.66949 2.59026 2.79898 2.64855 2.64778 2.63174 2.04684 2.63013 2.04752 2.63893 2.04391 2.63438 2.04822 2.63697 2.04905 2.04812 1.73127 2.04753 2.11734 2.08025 1.97779 1.90323 1.91150 1.90063 1.91117 1.85549 1.97851 1.90229 1.91092 1.90551 1.90884 1.85359 1.96199 1.91529 1.90081 1.91404 1.90839 1.86049 1.98166 1.90860 1.90577 1.90659 1.90459 1.85218 2.00693 1.91128 1.91525 1.85538 1.91035 1.85817 1.97344 1.90596 1.90460 1.91114 1.91068 1.85421 2.00398 1.80225 1.86676 1.94483 1.95011 1.88655 1.93905 1.94689 1.93904 1.87928 1.87734 1.87920 1.88971 2.23536 2.15809 2.12140 2.07214 2.08918 2.09232 2.03981 2.15098 2.11146 2.08760 2.08401 2.09727 2.09551 2.09030 2.09755 2.08563 2.09993 2.01471 2.12372 2.14459 2.09790 2.08750 2.09779 2.09792 2.08915 2.09609 2.09168 2.09513 2.09636 2.02771 2.08338 2.17203 -1.24810 2.91442 0.92620 3.08000 -0.07009 -2.98234 0.16729 1.20279 -1.97168 -0.00772 -0.02031 3.13384 -3.12649 0.02735 3.11011 0.98412 -1.03653 0.99019 -1.13579 3.12673 -1.03359 3.12361 1.10295 -3.03537 1.11280 -0.91773 -0.91399 -3.04901 1.20365 1.10814 -1.02687 -3.05740 -3.11196 1.03712 -0.98250 -0.98778 -3.12188 1.14168 1.03353 -1.10058 -3.12020 -3.09487 -1.00769 1.02603 -0.95915 1.12803 -3.12143 1.07501 -3.12100 -1.08728 3.14145 -1.00933 1.01061 -1.00651 1.12589 -3.13736 1.01134 -3.13944 -1.11950 -1.07606 0.96490 3.07739 3.08923 -1.15299 0.95950 1.08881 3.12978 -1.04092 -1.04307 -3.14008 1.04621 3.11061 1.01360 -1.08329 1.08436 -1.01264 -3.10953 3.13859 -0.01639 0.03019 -3.12480 -3.12142 0.03878 -0.01208 -3.13507 -2.36268 0.76229 0.79193 -2.36628 3.12104 -0.00464 -0.00397 -3.12965 -3.12933 0.02504 -0.00410 -3.13291 0.00865 -3.13317 3.13437 -0.00744 0.00753 -3.12882 3.13624 -0.00011 3.13751 -0.01669 -0.02293 3.10605 -0.00522 3.12976 3.13659 -0.01161 -0.00287 -3.13785 3.13346 -0.00153 |Maximum Force|RMS Force|Maximum Displacement|RMS Displacement| 0.000012 0.000002 0.000324 0.000084 0.000450 0.000300 0.001800 0.001200 YES YES YES YES -1.742710e-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 R40 R41 R42 R43 R44 R45 R46 R47 R48 R49 1 2 2 3 3 4 5 5 6 7 7 7 7 8 8 8 9 9 9 10 10 10 11 11 11 12 12 12 13 13 14 14 14 16 16 17 18 18 19 19 20 20 21 21 22 22 23 23 24 25 13 15 15 16 15 6 17 25 8 9 26 27 10 28 29 11 30 31 12 32 33 13 34 35 14 36 37 38 39 40 41 42 17 21 18 19 20 22 43 23 44 25 45 24 46 24 47 48 1.7519 1.8466 1.7607 1.3781 1.3842 1.2014 1.3336 1.3363 1.3174 1.5306 1.531 1.0967 1.0977 1.5309 1.0975 1.098 1.5297 1.0977 1.0954 1.5317 1.0981 1.0983 1.5273 1.0975 1.0935 1.5302 1.0972 1.0974 1.0932 1.0907 1.0956 1.0947 1.0955 1.4126 1.3707 1.4812 1.4016 1.4011 1.3927 1.0831 1.3918 1.0835 1.3965 1.0816 1.3941 1.0839 1.3954 1.0843 1.0838 -DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-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 A69 A70 A71 A72 A73 A74 A75 A76 A77 A78 A79 A80 A81 A82 A83 A84 A85 13 15 6 5 8 8 8 9 9 26 7 7 7 10 10 28 7 7 7 11 11 30 8 8 8 12 12 32 9 9 9 13 13 34 10 10 10 14 14 36 2 2 2 11 11 38 12 12 12 40 40 41 2 2 3 3 3 17 5 5 16 17 17 19 18 18 22 18 18 23 16 16 25 19 19 24 20 20 24 22 22 23 1 1 6 2 3 5 6 7 7 7 7 7 7 8 8 8 8 8 8 9 9 9 9 9 9 10 10 10 10 10 10 11 11 11 11 11 11 12 12 12 12 12 12 13 13 13 13 13 13 14 14 14 14 14 14 15 15 15 16 16 16 17 17 17 18 18 18 19 19 19 20 20 20 21 21 21 22 22 22 23 23 23 24 24 24 25 25 25 15 16 17 25 9 26 27 26 27 27 10 28 29 28 29 29 11 30 31 30 31 31 12 32 33 32 33 33 13 34 35 34 35 35 14 36 37 36 37 37 11 38 39 38 39 39 40 41 42 41 42 42 3 4 4 17 21 21 16 18 18 19 20 20 22 43 43 23 44 44 25 45 45 24 46 46 24 47 47 23 48 48 6 21 21 99.195 117.3155 121.3144 119.1892 113.3188 109.0467 109.5212 108.8983 109.502 106.3114 113.3603 108.9926 109.4882 109.1775 109.3686 106.2031 112.4145 109.7376 108.9087 109.6658 109.3423 106.5984 113.5407 109.3549 109.1921 109.2398 109.1249 106.1215 114.9881 109.5082 109.736 106.3051 109.4557 106.4653 113.0699 109.2032 109.1257 109.5003 109.4738 106.238 114.8214 103.26 106.9574 111.4297 111.7337 108.0909 111.0996 111.5487 111.0989 107.6748 107.5634 107.6699 108.2719 128.077 123.6492 121.5466 118.7263 119.7004 119.8822 116.8724 123.2412 120.9781 119.6098 119.4053 120.1642 120.0634 119.7661 120.1806 119.4977 120.3176 115.435 121.681 122.875 120.2007 119.6046 120.1947 120.2021 119.6998 120.0973 119.8445 120.0423 120.1121 116.1795 119.3689 124.448 -DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0 D1 D2 D3 D4 D5 D6 D7 D8 D9 D10 D11 D12 D13 D14 D15 D16 D17 D18 D19 D20 D21 D22 D23 D24 D25 D26 D27 D28 D29 D30 D31 D32 D33 D34 D35 D36 D37 D38 D39 D40 D41 D42 D43 D44 D45 D46 D47 D48 D49 D50 D51 D52 D53 D54 D55 D56 D57 D58 D59 D60 D61 D62 D63 D64 D65 D66 D67 D68 D69 D70 D71 D72 D73 D74 D75 D76 D77 D78 D79 D80 D81 D82 D83 D84 D85 D86 D87 D88 D89 D90 D91 D92 D93 D94 D95 D96 D97 D98 D99 D100 D101 D102 D103 D104 D105 D106 D107 D108 D109 D110 D111 D112 D113 D114 D115 D116 15 15 15 13 13 16 16 15 15 17 6 6 5 5 9 9 9 26 26 26 27 27 27 8 8 8 26 26 26 27 27 27 7 7 7 28 28 28 29 29 29 7 7 7 30 30 30 31 31 31 8 8 8 32 32 32 33 33 33 9 9 9 34 34 34 35 35 35 10 10 10 36 36 36 37 37 37 3 3 21 21 3 3 17 17 5 5 16 16 17 17 20 20 17 17 19 19 18 18 43 43 18 18 44 44 16 16 45 45 19 19 46 46 20 20 47 2 2 2 2 2 3 3 3 3 5 5 5 6 6 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 8 8 8 8 8 8 8 8 8 9 9 9 9 9 9 9 9 9 10 10 10 10 10 10 10 10 10 11 11 11 11 11 11 11 11 11 12 12 12 12 12 12 12 12 12 16 16 16 16 16 16 16 16 17 17 17 17 18 18 18 18 18 18 18 18 19 19 19 19 20 20 20 20 21 21 21 21 22 22 22 22 23 23 23 13 13 13 15 15 15 15 16 16 6 17 17 25 25 8 8 8 8 8 8 8 8 8 9 9 9 9 9 9 9 9 9 10 10 10 10 10 10 10 10 10 11 11 11 11 11 11 11 11 11 12 12 12 12 12 12 12 12 12 13 13 13 13 13 13 13 13 13 14 14 14 14 14 14 14 14 14 17 17 17 17 21 21 21 21 18 18 18 18 19 19 19 19 20 20 20 20 22 22 22 22 23 23 23 23 25 25 25 25 24 24 24 24 24 24 24 11 38 39 3 4 2 4 17 21 25 16 18 1 21 10 28 29 10 28 29 10 28 29 11 30 31 11 30 31 11 30 31 12 32 33 12 32 33 12 32 33 13 34 35 13 34 35 13 34 35 14 36 37 14 36 37 14 36 37 2 38 39 2 38 39 2 38 39 40 41 42 40 41 42 40 41 42 5 18 5 18 25 45 25 45 19 20 19 20 22 43 22 43 23 44 23 44 24 46 24 46 24 47 24 47 1 6 1 6 23 48 23 48 22 48 22 -71.5104 166.985 53.0697 176.4728 -4.0158 -170.8771 9.585 68.9174 -112.9666 -0.4411 -1.1623 179.5582 -179.1352 1.5641 178.1958 56.3869 -59.3885 56.7331 -65.0758 179.1488 -59.2206 178.9705 63.1951 -173.9096 63.7636 -52.5771 -52.3636 -174.6904 68.9689 63.4961 -58.8307 -175.1713 -178.3077 59.4161 -56.2992 -56.6022 -178.8784 65.4063 59.2102 -63.066 -178.7813 -177.3231 -57.7374 58.7861 -54.9556 64.63 -178.8465 61.5926 -178.8217 -62.2983 179.9879 -57.8339 57.8997 -57.6722 64.506 -179.7604 57.9421 -179.8798 -64.1462 -61.6541 55.2835 176.3194 177.0004 -66.062 54.9739 62.3849 179.3225 -59.6416 -59.7645 -179.9142 59.9429 178.2237 58.0741 -62.0689 62.1286 -58.021 -178.164 179.8248 -0.9436 1.7268 -179.0416 -178.8417 2.2222 -0.6901 -179.6262 -135.3672 43.6794 45.3797 -135.5737 178.8202 -0.2689 -0.2283 -179.3174 -179.2959 1.436 -0.2342 -179.5023 0.4955 -179.5175 179.5873 -0.4256 0.4315 -179.2674 179.6935 -0.0053 179.7648 -0.9553 -1.3132 177.9667 -0.2988 179.3216 179.7143 -0.6654 -0.165 -179.7851 179.5327 -DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-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 -0.0546948800 PCM SMD-Coulomb. Total charges None On-the-fly selection n-Octanol 9.862900 2.043470 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 355.7334999999997 AuxInfo=1/0/N:7;8;9;10;11;12;13;14;15;16;17;18;19;20;21;22;23;24;25;1;5;6;3;4;2;26;27;28;29;30;31;32;33;34;35;36;37;38;39;40;41;42;43;44;45;46;47;48/rA:48nCl0S0O0O0N0N0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:-6.3447,-1.7294,-.7283;.9534,-2.6687,.3934;-1.3074,-1.9727,-.4539;-.922,-1.2681,1.6479;-3.5386,.8582,-.6969;-4.7088,.2666,-.7215;4.0037,.8204,1.2582;4.9956,1.2259,.177;3.417,-.5684,1.0466;5.5629,2.6245,.381;2.3536,-.9111,2.08;6.5617,3.0367,-.6922;1.8032,-2.322,1.9644;7.1275,4.4312,-.4698;-.5567,-1.8433,.6672;-2.4532,-1.235,-.5354;-2.4151,.1658,-.6213;-1.1598,.9397,-.606;-.0892,.598,-1.431;-1.0545,2.0497,.2308;-3.6618,-1.8709,-.565;1.0695,1.3607,-1.4174;.1086,2.8028,.2473;1.172,2.4616,-.5784;-4.7715,-1.0394,-.6734;3.1902,1.5529,1.2953;4.4928,.8637,2.2372;4.5067,1.1716,-.8024;5.8164,.5009,.1445;4.217,-1.3159,1.0811;2.9859,-.6276,.0422;6.0436,2.6812,1.3641;4.7406,3.3486,.4063;2.7782,-.8226,3.0853;1.5389,-.1841,2.03;7.3809,2.3114,-.7227;6.0798,2.9898,-1.6739;2.61,-3.0571,1.9956;1.1229,-2.5643,2.7809;6.3382,5.1859,-.4686;7.8403,4.7054,-1.2492;7.6474,4.5012,.4881;-.1632,-.241,-2.111;-1.8812,2.3168,.8768;-3.7466,-2.9472,-.4972;1.8896,1.0973,-2.0727;.184,3.6594,.9047;2.0769,3.0558,-.5716; 0.000000 7.443269 0.000000 5.050659 2.512623 0.000000 5.938432 2.655660 2.250039 0.000000 3.817195 5.814274 3.612706 4.106813 0.000000 2.580827 6.474493 4.081156 4.723260 1.311409 0.000000 10.841459 4.714455 6.240208 5.364337 7.791690 8.951704 0.000000 11.754022 5.617391 7.096293 6.588036 8.586755 9.793003 1.522308 0.000000 9.989443 3.302640 5.152018 4.435983 7.311326 8.357718 1.522390 2.543235 0.000000 12.727091 7.018967 8.308571 7.668842 9.333801 10.596354 2.540722 1.522937 3.904149 0.000000 9.176994 2.809750 4.577201 3.323229 6.749815 7.688489 2.529043 3.894690 1.521875 5.068142 0.000000 13.758331 8.073630 9.331293 8.944975 10.332545 11.605885 3.906315 2.546925 5.090119 1.522915 6.401388 0.000000 8.601697 1.819433 3.955439 2.938930 6.762437 7.504675 3.900722 5.096536 2.553801 6.411733 1.518919 7.643085 0.000000 14.816253 9.448518 10.590483 10.087694 11.250979 12.550088 5.077639 3.903479 6.408106 2.536986 7.604718 1.521285 8.937574 0.000000 5.954978 1.742565 1.355456 1.194171 4.248628 4.860067 5.314255 6.363065 4.190375 7.582358 3.366718 8.736883 2.735058 9.985445 0.000000 3.927523 3.810901 1.365224 2.666924 2.363393 2.716073 7.009500 7.877109 6.116066 8.943916 5.481865 9.976966 5.054408 11.131064 2.326619 0.000000 4.364118 4.517813 2.414223 3.071586 1.321908 2.298094 6.720231 7.528585 6.110148 8.408211 5.585440 9.424894 5.537905 10.453588 3.024974 1.403972 0.000000 5.832877 4.299419 2.920127 3.164050 2.381948 3.614069 5.491030 6.211637 5.094375 7.000565 4.794205 8.001612 5.101458 8.993829 3.119293 2.531233 1.474720 0.000000 6.711384 3.884171 3.007898 3.695366 3.536306 4.685510 4.902320 5.369823 4.448840 6.271858 4.535613 7.122253 4.861686 8.227876 3.252860 3.122619 2.500468 1.394135 0.000000 6.571743 5.130439 4.088112 3.610175 2.907071 4.176092 5.305882 6.106216 5.245411 6.644065 4.878629 7.735134 5.503017 8.550338 3.948868 3.651372 2.475095 1.394109 2.408542 0.000000 2.691546 4.780703 2.359286 3.573118 2.735109 2.385332 8.326333 9.224594 7.375893 10.305345 6.641030 11.341135 6.038824 12.495471 3.340845 1.366062 2.388744 3.763194 4.428296 4.775237 0.000000 8.061925 4.419139 4.205920 4.502559 4.691129 5.921986 4.007530 4.239649 3.911973 5.002235 4.363711 5.787791 5.053433 6.857511 4.154016 4.463769 3.768817 2.409456 1.387238 2.775439 5.792757 0.000000 7.945958 5.538285 5.030161 4.426735 4.239723 5.529721 4.485960 5.135629 4.790557 5.458892 4.710814 6.525289 5.664229 7.240943 4.712230 4.845545 3.751937 2.410042 2.777983 1.385749 6.059714 2.403033 0.000000 8.607415 5.226117 5.081918 4.822001 4.977403 6.278641 3.753055 4.088752 4.106299 4.497516 4.454024 5.421480 5.454076 6.273740 4.803310 5.177690 4.259014 2.784615 2.406325 2.404526 6.491291 1.387976 1.388891 0.000000 1.718749 6.047086 3.594397 4.501083 2.263046 1.308399 9.175751 10.062415 8.380459 11.015286 7.639736 12.043914 7.199271 13.097943 4.495398 2.330647 2.647284 4.118957 5.017922 4.916919 1.390924 6.358598 6.278991 6.898616 0.000000 10.285080 4.861965 5.976435 4.999235 7.051831 8.253212 1.095341 2.148760 2.147824 2.759344 2.717849 4.185526 4.169689 5.186800 5.095825 6.555272 6.084091 4.786811 4.370207 4.404261 7.882496 3.448634 3.486661 2.899951 8.601430 0.000000 11.531318 5.329710 6.995019 5.849135 8.550644 9.684023 1.095323 2.151470 2.150838 2.773225 2.784037 4.193286 4.178245 5.195840 5.940575 7.767861 7.508493 6.327911 5.875501 6.017094 9.045987 5.032180 5.190511 4.637809 9.895564 1.749030 0.000000 11.232715 5.366924 6.619016 6.436332 8.052084 9.260118 2.149913 1.095949 2.762914 2.151026 4.157066 2.777368 5.212405 4.195784 6.073442 7.369049 6.996778 5.674612 4.673956 5.724104 8.719984 3.496864 4.806849 3.582530 9.538867 2.505716 3.055200 0.000000 12.394711 5.810117 7.564731 7.127103 9.399590 10.563345 2.151326 1.095648 2.777471 2.151699 4.210778 2.772372 5.233241 4.188569 6.810618 8.477152 8.273817 7.030183 6.112894 7.043864 9.796239 5.070694 6.155381 5.092932 10.730602 3.054184 2.502620 1.749820 0.000000 10.723500 3.599171 5.771120 5.170335 8.248440 9.242413 2.154162 2.807966 1.095383 4.222328 2.152610 5.252379 2.760236 6.626166 4.820468 6.863713 7.005520 6.069891 5.340058 6.311776 8.068030 4.828359 5.876861 5.127892 9.162286 3.054503 2.482659 3.133519 2.595396 0.000000 9.426944 2.901833 4.526306 4.273169 6.732213 7.783972 2.147359 2.737308 1.094629 4.163151 2.152395 5.172306 2.822180 6.557971 3.797128 5.503277 5.499076 4.479187 3.623279 4.850576 6.790191 3.123480 4.482006 3.635711 7.801204 2.523178 3.051766 2.502635 3.048914 1.751756 0.000000 13.315433 7.448078 8.888213 8.012258 9.969404 11.215713 2.763132 2.150638 4.190414 1.095726 5.199278 2.150167 6.585845 2.756950 8.032406 9.546700 9.045281 7.668286 7.054256 7.215658 10.892116 5.849927 6.040336 5.249178 11.617229 3.069115 2.543683 3.055233 2.508554 4.403786 4.695203 0.000000 12.245664 7.109892 8.101448 7.410777 8.715709 10.002989 2.767755 2.150159 4.183833 1.096023 5.161714 2.149478 6.573531 2.763555 7.421857 8.581715 7.898644 6.453030 5.853828 5.941442 9.939161 4.555652 4.666708 3.806717 10.530875 2.533461 3.096494 2.500922 3.055374 4.742009 4.361327 1.749461 0.000000 9.929370 3.739561 5.526326 3.994453 7.551916 8.469477 2.745814 4.191879 2.151486 5.191316 1.094815 6.593807 2.110767 7.691412 4.243808 6.375458 6.456402 5.677938 5.535018 5.575588 7.476445 5.287769 5.322016 5.175721 8.436380 3.002763 2.550067 4.698741 4.430639 2.516003 3.056390 5.089362 5.331639 0.000000 8.494013 3.032319 4.179799 2.716120 5.856949 6.841621 2.771233 4.167817 2.154519 5.176814 1.093057 6.558326 2.155212 7.666955 3.000300 4.860344 4.773463 3.936348 3.903982 3.866873 6.052091 3.806779 3.761010 3.733359 6.918237 2.506681 3.141073 4.320609 4.724523 3.058323 2.498360 5.380029 5.036498 1.748413 0.000000 14.308032 8.207324 9.690804 9.347199 11.015790 12.261332 4.189538 2.770734 5.209230 2.149673 6.596417 1.094580 7.733036 2.149823 9.066308 10.455671 10.028668 8.650906 7.696670 8.493137 11.809254 6.420246 7.353116 6.212390 12.605983 4.712675 4.381529 3.092978 2.545121 5.140171 5.342171 2.505962 3.053098 6.745915 6.923364 0.000000 13.324216 7.910320 8.982538 8.842489 9.900155 11.167663 4.196861 2.777102 5.210811 2.150198 6.572146 1.094538 7.729307 2.150614 8.537142 9.589471 9.013675 7.599712 6.620894 7.443845 10.943353 5.274755 6.275495 5.056317 11.618406 4.385281 4.726063 2.557388 3.093648 5.440507 5.059940 3.053822 2.499873 6.934313 6.664234 1.748594 0.000000 9.453472 2.337121 4.745670 3.974442 7.770724 8.484908 4.185845 5.229105 2.783100 6.603579 2.162965 7.744371 1.091932 9.086369 3.642177 5.946562 6.518155 6.078993 5.690938 6.528580 6.877428 5.791273 6.606975 6.256962 8.104389 4.698866 4.356237 5.413709 5.134906 2.539819 3.140029 6.716908 6.935292 2.491785 3.066407 7.679324 7.878478 0.000000 8.293171 2.395802 4.089041 2.673092 6.748206 7.368138 4.698255 6.012018 3.500600 7.238522 2.176936 8.544813 1.090026 9.775464 2.794363 5.055040 5.616558 5.381461 5.404581 5.703759 5.879595 5.747561 6.021092 6.045398 7.000145 4.840643 4.837692 6.184381 6.194741 3.744467 3.836931 7.330431 7.327212 2.421999 2.530298 8.672358 8.675492 1.752412 0.000000 14.448000 9.562115 10.473798 9.942018 10.785738 12.095370 5.243033 4.230887 6.628810 2.807826 7.716549 2.172270 9.102439 1.092030 9.911528 10.886714 10.091760 8.617930 7.955218 8.060831 12.239634 6.579590 6.708160 5.841538 12.736613 5.120541 5.422931 4.424953 4.753683 7.012440 6.730178 3.117559 2.587204 7.836168 7.623143 3.068259 2.518349 9.376533 9.890589 0.000000 15.584995 10.222761 11.353816 10.993314 12.024362 13.321393 6.008279 4.715122 7.255951 3.489155 8.528269 2.174737 9.806013 1.091170 10.819723 11.906022 11.232721 9.777295 8.931942 9.400036 13.267067 7.553699 8.101753 7.067602 13.870522 6.167322 6.174050 4.878536 4.869929 7.403665 7.326211 3.762286 3.766935 8.658564 8.623613 2.493834 2.494529 9.906629 10.687035 1.759681 0.000000 15.364883 9.809512 11.089951 10.395406 11.823828 13.117535 5.236220 4.225623 6.626389 2.806883 7.736333 2.171749 9.104426 1.092108 10.372623 11.660773 11.012700 9.562863 8.875373 9.044321 13.023529 7.534073 7.731515 6.872317 13.648329 5.404705 5.122696 4.755574 4.412816 6.779228 6.944993 2.579167 3.128111 7.667940 7.851276 2.516332 3.068467 9.207418 9.886708 1.760185 1.759816 0.000000 6.506773 3.662316 2.655922 3.969915 3.821186 4.780222 5.462723 5.831006 4.784944 6.870970 4.934393 7.614502 4.980563 8.813538 3.231214 2.952062 2.730526 2.156911 1.082532 3.395017 4.157794 2.136879 3.860153 3.381701 4.892915 5.105537 6.465825 5.051337 6.433805 5.525466 3.834382 7.690250 6.577911 5.999287 4.477594 8.084283 7.043095 5.699573 5.566209 8.626529 9.448052 9.499990 0.000000 6.234684 5.755318 4.527697 3.790260 2.711282 3.840952 6.084146 6.997893 6.035226 7.466954 5.458982 8.617520 6.022926 9.350985 4.370872 3.864789 2.675045 2.148404 3.389936 1.082592 4.773539 3.858026 2.142821 3.385308 4.692656 5.145646 6.677610 6.703419 7.942729 7.101092 5.749274 7.948068 6.718145 6.036764 4.391060 9.399151 8.386711 7.092328 6.039466 8.809085 10.233879 9.783513 4.291973 0.000000 2.878628 4.791701 2.627032 3.924195 3.816312 3.362271 8.794497 9.710626 7.704482 10.884948 6.928244 11.920803 6.103278 13.141098 3.570738 2.146163 3.388125 4.670266 5.178552 5.722438 1.081716 6.526860 6.962727 7.311227 2.172870 8.460670 9.480968 9.228987 10.185884 8.280719 7.141266 11.445106 10.605880 7.740845 6.477553 12.309527 11.540866 6.828746 5.882576 12.955722 13.906232 13.648176 4.771631 5.751286 0.000000 8.809131 4.597922 4.718670 5.229023 5.604910 6.786269 3.954863 3.837341 3.851957 4.674045 4.636136 5.243627 5.291218 6.412534 4.705122 5.163566 4.637240 3.387387 2.139232 3.857559 6.473146 1.082203 3.385715 2.146889 7.133952 3.639018 5.040556 2.910078 4.548836 4.602884 2.941055 5.619247 4.397904 5.574946 4.312420 5.783690 4.615100 5.859102 6.127995 6.251378 7.007676 7.162178 2.450809 4.940150 7.113817 0.000000 8.621456 6.395163 5.982515 5.104450 4.926387 6.172036 4.772358 5.440903 5.324164 5.502597 5.194009 6.603989 6.286616 7.120244 5.557353 5.743107 4.613934 3.388910 3.860335 2.139865 6.894541 3.385330 1.082359 2.147178 7.008960 3.691517 5.306385 5.271513 6.502193 6.406980 5.193510 5.958408 4.594297 5.618947 4.227791 7.500714 6.469834 7.224049 6.567776 6.487735 8.022011 7.522330 4.942502 2.463365 7.814188 4.282293 0.000000 9.687415 5.912979 6.062420 5.710981 6.031495 7.338040 3.472431 3.525304 4.189169 3.639517 4.779481 4.486429 5.952024 5.235560 5.698342 6.239688 5.341527 3.867185 3.386889 3.385525 7.563443 2.145585 2.146812 1.082577 7.980058 2.642611 4.304826 3.083380 4.585240 5.140305 3.843189 4.429634 2.852555 5.376431 4.189782 5.358085 4.152477 6.651482 6.613201 4.765144 6.033002 5.851747 4.272807 4.279052 8.363869 2.474670 2.475259 0.000000 C19H23ClN2O2S 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 0 0 0 0 0 0 0 0 0 355.7334999999997 AuxInfo=1/0/N:7;8;9;10;11;12;13;14;15;16;17;18;19;20;21;22;23;24;25;1;5;6;3;4;2;26;27;28;29;30;31;32;33;34;35;36;37;38;39;40;41;42;43;44;45;46;47;48/rA:48nCl0S0O0O0N0N0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:6.814,-.5568,-.0898;.1824,2.7579,-.7509;2.1358,1.1816,-.865;1.3995,1.4883,1.2389;3.3134,-2.0249,.3112;4.6123,-1.8449,.3024;-3.9024,.8913,.6829;-4.8984,.3948,-.3558;-2.8758,1.8625,.1167;-5.9094,-.5933,.2106;-1.8303,2.2651,1.1466;-6.9145,-1.0907,-.8197;-.8369,3.3032,.6541;-7.9241,-2.0686,-.2376;1.3117,1.7149,.0697;2.975,.18,-.4696;2.4805,-1.0717,-.0698;1.0416,-1.3914,-.0224;.2022,-1.1106,-1.0995;.5188,-2.0105,1.112;4.3252,.3862,-.4911;-1.142,-1.4483,-1.0394;-.8266,-2.3374,1.1707;-1.6592,-2.0594,.0944;5.1011,-.698,-.0946;-3.3821,.034,1.1234;-4.4423,1.3713,1.5062;-4.355,-.0757,-1.1831;-5.4283,1.2494,-.7907;-3.3832,2.7569,-.2607;-2.3836,1.4028,-.7463;-6.446,-.1259,1.0438;-5.3772,-1.4504,.6389;-2.3261,2.6975,2.0218;-1.3013,1.3785,1.5054;-7.443,-.2355,-1.2527;-6.3802,-1.5666,-1.648;-1.3545,4.1875,.2767;-.1707,3.6414,1.4478;-7.4315,-2.9525,.173;-8.6339,-2.4111,-.9923;-8.5004,-1.6114,.5697;.5953,-.6594,-2.0016;1.1652,-2.2267,1.9531;4.7572,1.333,-.7862;-1.7828,-1.2408,-1.8865;-1.2252,-2.8124,2.0578;-2.7082,-2.3233,.1373; 0.3851178 0.0835197 0.0725327 -101.57336 -88.87444 -19.20980 -19.14374 -14.36777 -14.36737 -10.34645 -10.28728 -10.28286 -10.24415 -10.22159 -10.20420 -10.19595 -10.18268 -10.18082 -10.17879 -10.17784 -10.17733 -10.16503 -10.15509 -10.15405 -10.15211 -10.15188 -10.15161 -10.14771 -9.48876 -7.96187 -7.25330 -7.24368 -7.24298 -5.92557 -5.92112 -5.91647 -1.16275 -1.07264 -1.06065 -0.91796 -0.88075 -0.85839 -0.83411 -0.82467 -0.80486 -0.78008 -0.76353 -0.75726 -0.74859 -0.71558 -0.69294 -0.68226 -0.64316 -0.62510 -0.61458 -0.60546 -0.59198 -0.57549 -0.57078 -0.56919 -0.54128 -0.52612 -0.51268 -0.49958 -0.48553 -0.48084 -0.47787 -0.47567 -0.46228 -0.46006 -0.45249 -0.44929 -0.43626 -0.43361 -0.42869 -0.42660 -0.42105 -0.40782 -0.39483 -0.39211 -0.38129 -0.37483 -0.37222 -0.36795 -0.36295 -0.35917 -0.35348 -0.35252 -0.34231 -0.33607 -0.33427 -0.33091 -0.32205 -0.32011 -0.31716 -0.31452 -0.30763 -0.30354 -0.29922 -0.27147 -0.26805 -0.26046 -0.25688 -0.07332 -0.06190 -0.02662 -0.01555 -0.00993 0.00109 0.00562 0.00863 0.01119 0.01374 0.01961 0.02087 0.02657 0.03240 0.03425 0.03720 0.04267 0.04788 0.04950 0.05035 0.05529 0.05730 0.06136 0.06641 0.06838 0.07042 0.07448 0.07652 0.08096 0.08316 0.08410 0.08646 0.09139 0.09374 0.09617 0.09809 0.10395 0.10652 0.10855 0.11083 0.11428 0.11798 0.11855 0.12101 0.12376 0.12540 0.12926 0.12947 0.13241 0.13701 0.13951 0.14247 0.14614 0.14915 0.15199 0.15648 0.15812 0.16103 0.16210 0.16460 0.16653 0.17014 0.17343 0.17673 0.17765 0.18101 0.18193 0.18697 0.18948 0.19055 0.19556 0.19599 0.19934 0.20098 0.20362 0.20617 0.20719 0.20887 0.21126 0.21383 0.21601 0.21734 0.22105 0.22206 0.22469 0.22766 0.22988 0.23207 0.23537 0.23639 0.24028 0.24172 0.24395 0.24545 0.24881 0.24973 0.25139 0.25635 0.25716 0.25824 0.25916 0.26305 0.26635 0.26794 0.27075 0.27357 0.27719 0.27769 0.28205 0.28370 0.28819 0.28904 0.29298 0.29348 0.29707 0.30034 0.30563 0.30682 0.31184 0.31322 0.31699 0.32008 0.32325 0.32535 0.32858 0.33094 0.33479 0.33842 0.34205 0.34747 0.34839 0.35457 0.35850 0.36112 0.36427 0.36625 0.36948 0.37150 0.37632 0.38006 0.38339 0.38933 0.39315 0.39510 0.39804 0.40208 0.41362 0.42209 0.42823 0.43103 0.43820 0.44344 0.45181 0.45333 0.46065 0.46505 0.46612 0.47303 0.47826 0.48697 0.49644 0.50305 0.50915 0.51629 0.52122 0.53480 0.53930 0.54735 0.55039 0.55205 0.55715 0.56005 0.56561 0.56939 0.57411 0.57822 0.58582 0.59173 0.59910 0.60529 0.60921 0.61706 0.62108 0.62505 0.63034 0.63905 0.64094 0.64760 0.65043 0.65762 0.66131 0.66257 0.66689 0.66835 0.67450 0.67682 0.68091 0.68217 0.68747 0.69169 0.69453 0.70104 0.70254 0.70597 0.70751 0.71029 0.71904 0.72314 0.72725 0.73140 0.73458 0.73856 0.74558 0.75318 0.75461 0.75974 0.76217 0.76482 0.77434 0.77630 0.78047 0.78420 0.78803 0.79605 0.80008 0.80408 0.80974 0.81334 0.82303 0.82631 0.82981 0.83874 0.84674 0.84788 0.85314 0.85565 0.86049 0.86509 0.87428 0.88090 0.88199 0.88533 0.89158 0.89858 0.89996 0.90703 0.91422 0.91618 0.92771 0.92960 0.93587 0.94405 0.95032 0.95722 0.96131 0.96974 0.97562 0.98191 0.98918 0.99386 1.00508 1.00628 1.01646 1.01849 1.02822 1.03329 1.04562 1.04882 1.05889 1.06227 1.06482 1.07703 1.07769 1.08854 1.09369 1.11028 1.11527 1.12285 1.12667 1.13258 1.14670 1.16054 1.17005 1.17387 1.17688 1.19512 1.20775 1.21970 1.23674 1.24730 1.25807 1.26351 1.26840 1.27096 1.28006 1.29951 1.30105 1.30666 1.31340 1.33606 1.34187 1.34896 1.35379 1.37095 1.37977 1.39178 1.42866 1.43850 1.45693 1.47400 1.48195 1.48862 1.50086 1.50942 1.51754 1.51902 1.53538 1.53990 1.54513 1.54658 1.56251 1.56299 1.57165 1.57624 1.58219 1.58865 1.59348 1.59736 1.60134 1.60948 1.61766 1.62005 1.62705 1.62923 1.63331 1.64120 1.64770 1.65130 1.65456 1.66345 1.67045 1.67855 1.68220 1.68988 1.69198 1.69838 1.70397 1.70756 1.71494 1.73088 1.73815 1.74707 1.74968 1.75367 1.75502 1.76872 1.77530 1.78279 1.79027 1.79132 1.79543 1.80035 1.80876 1.81203 1.81812 1.82681 1.82839 1.83730 1.85139 1.86413 1.86764 1.86939 1.88279 1.89090 1.90446 1.91582 1.92078 1.93440 1.93718 1.94277 1.96138 1.96198 1.96888 1.98205 1.98560 1.99300 1.99928 2.00851 2.01260 2.02605 2.04323 2.04751 2.05554 2.06734 2.07654 2.08441 2.09062 2.09371 2.10917 2.11173 2.11753 2.14243 2.15315 2.16774 2.16905 2.17720 2.19732 2.21579 2.23193 2.23833 2.24425 2.26250 2.26701 2.27463 2.28655 2.29728 2.30055 2.32507 2.33957 2.35224 2.35740 2.36809 2.37743 2.38835 2.39590 2.41030 2.43361 2.43733 2.44125 2.44828 2.45124 2.46475 2.47039 2.48172 2.48577 2.49717 2.51459 2.52229 2.53027 2.54299 2.55392 2.57165 2.57189 2.58014 2.59285 2.59610 2.61082 2.62421 2.62995 2.64882 2.65070 2.65416 2.65552 2.66091 2.66887 2.68507 2.68895 2.69356 2.70078 2.70727 2.71996 2.73004 2.73757 2.74015 2.74632 2.75243 2.75607 2.76307 2.76513 2.77803 2.78706 2.79126 2.80789 2.81431 2.82042 2.82838 2.82988 2.83533 2.84800 2.85862 2.86290 2.87970 2.88196 2.88623 2.90453 2.91583 2.91901 2.93144 2.94110 2.95331 2.95448 2.96307 2.96953 2.98031 2.98602 2.99810 3.00891 3.01782 3.03689 3.04250 3.05731 3.06687 3.08775 3.11228 3.11909 3.13666 3.16549 3.19103 3.20214 3.21168 3.23252 3.24302 3.27863 3.29187 3.31245 3.32400 3.36733 3.37632 3.40437 3.43142 3.44934 3.47118 3.52887 3.54091 3.55054 3.58071 3.60889 3.62462 3.67210 3.71909 3.73737 3.77814 3.79061 3.80635 3.82528 3.82703 3.82802 3.84934 3.86558 3.87765 3.89890 3.90065 3.99501 4.02806 4.03664 4.04353 4.04916 4.08436 4.08750 4.10020 4.14186 4.15836 4.18778 4.19450 4.21360 4.29997 4.37947 4.42635 4.42708 4.58433 4.59454 4.85790 5.11494 5.14513 5.22451 5.35002 5.59578 5.66619 5.93085 8.00541 9.78316 17.37443 17.48668 17.53935 23.58510 23.72361 23.80993 23.86274 23.90058 23.91018 23.91753 23.92042 23.92545 23.94930 23.95107 23.95596 23.98051 23.99324 24.02971 24.10378 24.11957 24.12643 24.21680 25.81199 26.05892 26.58567 35.55265 35.63955 49.93312 49.98500 189.18605 215.77516 1-A. -5.4095 5.2512 -1.6542 7.7184 -174.6127 -167.6445 -164.2904 15.7248 -8.8609 1.4088 -5.7635 1.2047 4.5588 15.7248 -8.8609 1.4088 -47.1338 95.6895 -0.8137 -52.3895 114.0317 -32.0014 6.7041 -5.7367 15.1879 1.0026 -16296.4405 -3155.6006 -735.7625 356.0508 -134.0624 57.9597 31.1546 -11.6708 -9.1903 -3318.2047 -2757.8603 -639.4403 46.1150 -41.7554 -6.7279 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 355.7334999999997 AuxInfo=1/0/N:7;8;9;10;11;12;13;14;15;16;17;18;19;20;21;22;23;24;25;1;5;6;3;4;2;26;27;28;29;30;31;32;33;34;35;36;37;38;39;40;41;42;43;44;45;46;47;48/rA:48nCl0S0O0O0N0N0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:-6.3633,-1.4181,-.6311;.9328,-2.8303,.4275;-1.3017,-1.9637,-.4537;-.8596,-1.2843,1.6724;-3.3668,1.0337,-.724;-4.5903,.5033,-.7066;3.9319,.7545,1.3466;4.8756,1.2269,.2381;3.3872,-.6579,1.1177;5.3863,2.6555,.4435;2.3345,-1.0523,2.1552;6.2985,3.1472,-.6844;1.7973,-2.4757,2.0203;6.8024,4.5758,-.4684;-.5337,-1.8915,.6883;-2.4082,-1.1354,-.5284;-2.2757,.2657,-.6511;-.9665,.9572,-.6888;.0812,.4754,-1.4854;-.7766,2.1217,.067;-3.6566,-1.7014,-.5208;1.2973,1.1528,-1.527;.4441,2.7892,.029;1.4829,2.3078,-.7688;-4.7223,-.8049,-.6244;3.0892,1.4524,1.4208;4.4516,.7948,2.3127;4.3538,1.1657,-.7255;5.7303,.5413,.1677;4.2129,-1.3811,1.1359;2.9471,-.7106,.116;5.9264,2.7151,1.3977;4.529,3.3357,.5353;2.7665,-.9801,3.1615;1.5018,-.3442,2.1239;7.1545,2.4672,-.7787;5.7555,3.0908,-1.6364;2.6061,-3.211,2.0357;1.1003,-2.722,2.8223;5.9679,5.2825,-.402;7.4498,4.9021,-1.2885;7.3773,4.6549,.4608;-.0576,-.4176,-2.0825;-1.5827,2.491,.6896;-3.7954,-2.7696,-.4226;2.0987,.7765,-2.1522;.5865,3.6829,.6262;2.434,2.8268,-.7946; 0.000000 7.506545 0.000000 5.094016 2.553549 0.000000 5.967840 2.674411 2.275370 0.000000 3.872857 5.894386 3.649969 4.171635 0.000000 2.615560 6.550086 4.118817 4.772144 1.333596 0.000000 10.706162 4.763371 6.165994 5.217331 7.591869 8.769585 0.000000 11.578644 5.660626 6.986954 6.423070 8.300661 9.540398 1.530589 0.000000 9.935254 3.349616 5.114729 4.328429 7.202163 8.265426 1.530953 2.557667 0.000000 12.482081 7.065946 8.177456 7.486176 8.978352 10.270686 2.558261 1.530934 3.928012 0.000000 9.140492 2.847933 4.567116 3.238647 6.719111 7.652583 2.543605 3.915043 1.529741 5.098139 0.000000 13.459792 8.109095 9.161710 8.742449 9.893778 11.205177 3.930773 2.561833 5.118781 1.531698 6.435250 0.000000 8.645446 1.846617 3.998315 2.932471 6.820237 7.557212 3.929915 5.134361 2.578146 6.457240 1.527339 7.693695 0.000000 14.466809 9.492370 10.413496 9.880741 10.771459 12.101010 5.112393 3.927672 6.447542 2.554319 7.649896 1.530219 8.998222 0.000000 5.995764 1.760685 1.378089 1.201404 4.310237 4.912892 5.232172 6.260004 4.132768 7.468666 3.329026 8.599484 2.747561 9.847917 0.000000 3.966491 3.866421 1.384228 2.695218 2.379536 2.734647 6.876345 7.695613 6.043616 8.721819 5.449955 9.704217 5.096953 10.837736 2.359230 0.000000 4.420815 4.587310 2.440854 3.131535 1.336286 2.327345 6.539429 7.270262 6.004260 8.100402 5.555755 9.045551 5.589370 10.051018 3.079278 1.412643 0.000000 5.896709 4.381640 2.949440 3.257439 2.401825 3.652153 5.308260 5.921312 4.982664 6.672644 4.798189 7.587881 5.173235 8.573091 3.193524 2.546232 1.481160 0.000000 6.770998 3.913057 2.987578 3.735368 3.574933 4.736001 4.788085 5.149927 4.357815 6.051274 4.545860 6.814337 4.893217 7.938661 3.271817 3.115675 2.509020 1.401553 0.000000 6.650481 5.251095 4.151727 3.766258 2.918696 4.214487 5.067145 5.725136 5.115403 6.197416 4.910525 7.188396 5.619236 7.984353 4.068199 3.691229 2.491554 1.401146 2.419904 0.000000 2.723746 4.820392 2.370392 3.578745 2.757952 2.401476 8.191646 9.052591 7.306778 10.083959 6.593559 11.074260 6.066418 12.198196 3.354164 1.370702 2.406892 3.785916 4.431662 4.822438 0.000000 8.129979 4.451734 4.197480 4.563692 4.734210 5.979803 3.918814 3.990666 3.826361 4.781331 4.415482 5.449750 5.098917 6.568396 4.186557 4.468060 3.784272 2.421865 1.392663 2.789333 5.805127 0.000000 8.029823 5.654762 5.086301 4.581872 4.262865 5.577769 4.247408 4.703470 4.661513 4.961357 4.780293 5.908546 5.789235 6.623200 4.826936 4.883525 3.772036 2.420970 2.789048 1.391805 6.106022 2.413863 0.000000 8.687003 5.304169 5.108694 4.934554 5.014471 6.335871 3.589625 3.700397 3.997654 4.102133 4.534917 4.888960 5.546169 5.790604 4.880955 5.201357 4.279191 2.798192 2.415801 2.416269 6.522995 1.394050 1.395427 0.000000 1.751871 6.098243 3.615543 4.519453 2.286434 1.317430 9.011685 9.848431 8.295816 10.737695 7.588469 11.708117 7.231216 12.719822 4.521927 2.339476 2.670640 4.149118 5.045150 4.960988 1.396470 6.393915 6.327403 6.943614 0.000000 10.089612 4.896765 5.870550 4.811001 6.815876 8.025039 1.096661 2.154277 2.152687 2.771110 2.717089 4.195666 4.178327 5.206930 4.984334 6.381070 5.872294 4.598278 4.295195 4.150300 7.695594 3.462676 3.274233 2.847180 8.384363 0.000000 11.424692 5.392263 6.954246 5.739370 8.390813 9.537061 1.097724 2.161151 2.161225 2.798155 2.813982 4.234097 4.222139 5.249466 5.891280 7.671631 7.370228 6.195972 5.798906 5.842678 8.944341 4.982014 5.025167 4.538490 9.764432 1.756096 0.000000 11.024546 5.385197 6.469234 6.239477 7.721730 8.968560 2.154195 1.097488 2.767150 2.156875 4.158747 2.776685 5.228231 4.206037 5.935670 7.145518 6.690754 5.324465 4.394207 5.278486 8.510456 3.159865 4.300045 3.090057 9.288056 2.507536 3.062263 0.000000 12.277296 5.869473 7.490626 7.001626 9.153971 10.357593 2.160900 1.097955 2.798287 2.159672 4.245102 2.799969 5.291726 4.222756 6.739918 8.338534 8.052514 6.764114 5.886378 6.696791 9.675576 4.785132 5.745948 4.694501 10.568602 3.061953 2.510027 1.755698 0.000000 10.722835 3.655264 5.768599 5.101646 8.169612 9.189185 2.164224 2.836707 1.097710 4.260266 2.162243 5.307395 2.795589 6.690569 4.794868 6.831506 6.928737 5.968481 5.233399 6.189205 8.048329 4.691705 5.728851 4.968783 9.125091 3.061418 2.485148 3.157619 2.633489 0.000000 9.367048 2.940614 4.466158 4.152318 6.604074 7.678660 2.151905 2.736486 1.095422 4.169874 2.156405 5.172589 2.839637 6.568991 3.719871 5.410630 5.368378 4.329584 3.490623 4.678660 6.707848 2.982221 4.303615 3.469578 7.705561 2.530094 3.058590 2.491502 3.052253 1.758382 0.000000 13.123929 7.525262 8.807088 7.881671 9.679554 10.950872 2.797343 2.159587 4.231238 1.098076 5.260189 2.158779 6.661991 2.776987 7.966017 9.381003 8.801890 7.413233 6.891719 6.859544 10.724777 5.694195 5.651075 4.960341 11.396251 3.105612 2.588487 3.063004 2.505414 4.447888 4.717560 0.000000 11.941543 7.138850 7.940886 7.188408 8.320367 9.629395 2.770779 2.157632 4.194206 1.098257 5.166626 2.157438 6.590827 2.777364 7.278520 8.321449 7.558872 6.111905 5.661036 5.462774 9.669061 4.411560 4.152227 3.469282 10.201699 2.530529 3.101787 2.515775 3.063817 4.765306 4.364728 1.755471 0.000000 9.895901 3.776255 5.530553 3.931701 7.534620 8.443028 2.767761 4.226748 2.160057 5.240971 1.097478 6.655826 2.116230 7.767365 4.223574 6.357466 6.442962 5.701988 5.560797 5.634712 7.438780 5.356228 5.423399 5.282532 8.393156 3.008508 2.590352 4.715076 4.478934 2.521009 3.062640 5.172105 5.350568 0.000000 8.402519 3.062952 4.138316 2.581356 5.806259 6.770739 2.777893 4.172241 2.159996 5.187627 1.093495 6.563921 2.154314 7.682648 2.932214 4.790472 4.726723 3.961938 3.964393 3.937287 5.953543 3.951134 3.914777 3.924459 6.819359 2.498455 3.167681 4.304934 4.742451 3.066107 2.500883 5.428152 5.022861 1.755130 0.000000 14.065849 8.260027 9.552241 9.181866 10.618656 11.908041 4.223219 2.786642 5.249291 2.157685 6.650346 1.097233 7.808082 2.160194 8.958695 10.221882 9.684649 8.260645 7.382310 7.983500 11.589783 6.049342 6.766459 5.673858 12.320222 4.732219 4.433899 3.088821 2.575537 5.208468 5.348064 2.511226 3.061719 6.831031 6.948544 0.000000 12.969451 7.910600 8.760737 8.593523 9.395804 10.704907 4.205012 2.785993 5.219829 2.156790 6.576062 1.097369 7.747540 2.159956 8.353506 9.259314 8.570499 7.115857 6.249910 6.819752 10.620608 4.862488 5.574534 4.429587 11.224291 4.374889 4.750467 2.549639 3.123374 5.482955 5.040760 3.062016 2.506122 6.966012 6.635747 1.755426 0.000000 9.527700 2.351852 4.798343 3.981866 7.830087 8.550124 4.237624 5.298790 2.823312 6.684297 2.178988 7.839588 1.093219 9.193119 3.662680 6.002243 6.568025 6.128656 5.688835 6.614818 6.930812 5.783466 6.686061 6.291623 8.159089 4.728516 4.419104 5.462030 5.227731 2.596135 3.170675 6.822801 6.986221 2.503983 3.073367 7.800681 7.944519 0.000000 8.326536 2.403006 4.132367 2.688919 6.829134 7.432239 4.720299 6.043586 3.520777 7.276356 2.180838 8.588669 1.090683 9.828529 2.813107 5.104340 5.691046 5.489586 5.460539 5.880068 5.903011 5.828251 6.213378 6.192033 7.032555 4.831729 4.884489 6.187526 6.255562 3.785480 3.844430 7.408335 7.326740 2.434250 2.510507 8.749165 8.679795 1.767832 0.000000 14.035985 9.584261 10.264335 9.697428 10.261218 11.593455 5.263661 4.248615 6.652672 2.820393 7.737625 2.179175 9.135158 1.095552 9.742960 10.552942 9.653399 8.177762 7.676952 7.463147 11.891997 6.335204 6.075717 5.394314 12.303881 5.126304 5.459724 4.433777 4.781282 7.060358 6.731403 3.135623 2.596014 7.884624 7.614894 3.078290 2.524383 9.454298 9.907649 0.000000 15.204606 10.257049 11.154605 10.774269 11.501436 12.831685 6.043424 4.739653 7.294441 3.507935 8.572122 2.184121 9.865683 1.094677 10.667583 11.584926 10.793045 9.314301 8.598363 8.788744 12.944047 7.208904 7.435067 6.527250 13.459985 6.185132 6.231271 4.885045 4.908645 7.472246 7.331508 3.784115 3.783071 8.737069 8.634131 2.505193 2.504524 10.016736 10.739758 1.768271 0.000000 15.062476 9.877321 10.952949 10.226843 11.399701 12.720913 5.279133 4.249634 6.676715 2.821743 7.802155 2.179142 9.187726 1.095521 10.270880 11.413277 10.662231 9.198546 8.630741 8.547404 12.771576 7.292665 7.192802 6.462592 13.318672 5.437406 5.185589 4.766955 4.440826 6.848556 6.966733 2.597234 3.139906 7.765725 7.891734 2.524297 3.078121 9.333671 9.969775 1.767695 1.768191 0.000000 6.547439 3.619691 2.567271 3.936145 3.860371 4.825542 5.389647 5.694407 4.708094 6.742468 4.907408 7.420422 4.950665 8.637081 3.174255 2.907841 2.726877 2.158362 1.083139 3.403678 4.127874 2.147200 3.872149 3.395116 4.902532 5.066792 6.412469 4.879418 6.283526 5.433550 3.734628 7.598340 6.478945 5.982546 4.486669 7.876335 6.804454 5.644297 5.541412 8.462989 9.235358 9.352916 0.000000 6.314981 5.891760 4.607611 3.967555 2.702776 3.865950 5.818768 6.596392 5.899110 6.975356 5.481557 8.027002 6.153308 8.717671 4.506266 3.913509 2.688804 2.152258 3.400296 1.083500 4.831368 3.872813 2.152573 3.399802 4.737737 4.841543 6.474883 6.245100 7.586452 6.984349 5.576614 7.545829 6.171744 6.088873 4.428299 8.859784 7.721421 7.202169 6.238758 8.123810 9.555839 9.220493 4.297719 0.000000 2.909334 4.804371 2.620841 3.900507 3.839213 3.379967 8.675191 9.570486 7.643389 10.699730 6.867959 11.703094 6.109985 12.894517 3.555781 2.146134 3.402077 4.686394 5.165912 5.768614 1.081591 6.522222 7.005484 7.332084 2.181672 8.283752 9.391362 9.054626 10.101874 8.275790 7.070326 11.309679 10.367538 7.688033 6.358157 12.142890 11.271037 6.871483 5.873572 12.655325 13.640340 13.443655 4.717780 5.814295 0.000000 8.873295 4.585102 4.685716 5.256005 5.654888 6.848841 3.950001 3.691551 3.796085 4.590941 4.685457 5.041128 5.298782 6.276526 4.702730 5.157926 4.652969 3.401411 2.146086 3.873189 6.474917 1.083874 3.397974 2.153606 7.166627 3.768847 5.046907 2.696737 4.315756 4.465024 2.841852 5.568827 4.436036 5.636166 4.460595 5.505099 4.358267 5.804831 6.162890 6.191786 6.811867 7.052221 2.465856 4.956669 7.092656 0.000000 8.712144 6.525475 6.051091 5.278170 4.946755 6.219777 4.504031 4.957744 5.189279 4.911953 5.274071 5.884862 6.429484 6.374340 5.686196 5.789461 4.636985 3.401546 3.873323 2.146691 6.950594 3.397506 1.084310 2.154175 7.063142 3.445318 5.111185 4.728203 6.044729 6.249357 5.013590 5.481485 3.958766 5.737931 4.393062 6.825680 5.673497 7.320659 6.790436 5.707441 7.228938 6.861987 4.956438 2.475984 7.869918 4.295781 0.000000 9.769272 5.979161 6.084441 5.816790 6.072046 7.399113 3.335127 3.096404 4.087684 3.206024 4.874316 3.879327 6.037038 4.716789 5.767884 6.262354 5.363003 3.881995 3.397382 3.398153 7.594408 2.151946 2.153925 1.083819 8.026869 2.688198 4.225524 2.539630 4.124975 4.959610 3.688663 4.125040 2.533100 5.500344 4.409343 4.734188 3.436676 6.670517 6.756482 4.321216 5.450625 5.417960 4.288712 4.295358 8.382293 2.481801 2.482922 0.000000 C19H23ClN2O2S 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 0 0 0 0 0 0 0 0 0 355.7334999999997 AuxInfo=1/0/N:7;8;9;10;11;12;13;14;15;16;17;18;19;20;21;22;23;24;25;1;5;6;3;4;2;26;27;28;29;30;31;32;33;34;35;36;37;38;39;40;41;42;43;44;45;46;47;48/rA:48nCl0S0O0O0N0N0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:6.7584,-.7637,.092;.2756,2.9087,-.8223;2.1547,1.1811,-.8944;1.3783,1.5643,1.2098;3.1366,-2.1146,.3289;4.4625,-1.9822,.3833;-3.7851,.9759,.7475;-4.758,.3784,-.272;-2.7942,1.9667,.1309;-5.7207,-.6453,.3354;-1.7396,2.4374,1.1341;-6.6689,-1.2762,-.6889;-.7581,3.4777,.598;-7.6259,-2.2976,-.0705;1.3335,1.7889,.0304;2.9312,.1224,-.4557;2.3551,-1.1136,-.0868;.8968,-1.3711,-.1177;.1186,-.9814,-1.2163;.2875,-2.0317,.9573;4.2928,.2751,-.4184;-1.247,-1.2539,-1.2383;-1.0793,-2.2928,.934;-1.8493,-1.9064,-.1637;5.0102,-.8434,.011;-3.2243,.1637,1.2256;-4.3505,1.4724,1.5468;-4.1839,-.0994,-1.0761;-5.3344,1.1847,-.7444;-3.3367,2.8333,-.2687;-2.2974,1.4888,-.7203;-6.3109,-.1649,1.127;-5.1414,-1.439,.8259;-2.2353,2.898,1.9981;-1.1846,1.5768,1.5176;-7.2469,-.4841,-1.1813;-6.0772,-1.7593,-1.4767;-1.2806,4.3492,.1947;-.0721,3.8227,1.3727;-7.0752,-3.1183,.4021;-8.2902,-2.7334,-.8236;-8.2537,-1.8346,.6987;.5805,-.4799,-2.0579;.8863,-2.3264,1.8109;4.7673,1.2089,-.6882;-1.8388,-.9553,-2.0959;-1.5449,-2.7939,1.7754;-2.9142,-2.1074,-.1787; 0.3592834 0.0873289 0.0743048 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= 705 704 704 705 705 MxSgAt= 48 MxSgA2= 48. 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= 704 RedAO= T EigKep= 1.92D-06 NBF= 704 NBsUse= 701 1.00D-06 EigRej= 9.90D-07 NBFU= 701 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= 707 707 707 707 707 MxSgAt= 48 MxSgA2= 48. 1 -2.12825131e+00 2.06597385e+00 -6.50828526e-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 40 41 42 43 44 45 46 47 48 17 16 8 8 7 7 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 -0.014509356 -0.006473277 -0.000547508 0.004818551 -0.008075453 -0.007033217 0.000257310 -0.007943493 -0.011838205 -0.003453427 0.007704914 0.014128400 0.004009094 0.016186180 -0.000672692 -0.015900419 0.004968848 -0.000730182 -0.000855887 0.001343778 0.001186845 0.000233021 -0.000836858 -0.001199090 0.000362518 -0.000433402 -0.001615224 -0.000555335 0.000825047 0.001022743 -0.000818130 0.002150319 0.002349971 0.001036802 -0.000540858 -0.001513755 0.001690915 -0.001707856 0.006356545 0.001713539 0.002837951 -0.000356932 0.006803052 -0.003683233 0.000902351 -0.006436047 0.003400146 -0.001202090 0.009049039 -0.001596821 0.000171089 -0.001684061 -0.000517345 -0.000347210 0.000859361 -0.003115858 -0.003783241 -0.002705635 0.002115707 0.003698223 -0.000304047 -0.006229564 -0.000593003 0.003545515 -0.001003836 -0.002975459 0.000134214 0.003690737 0.002614437 0.004707461 0.002539426 -0.000118439 0.006233063 -0.004699631 0.000848422 -0.001064343 0.000627167 -0.000350715 0.001000970 -0.000116531 0.001456667 -0.000843581 0.000139629 -0.001204442 0.001319417 -0.001042933 0.000122510 0.001319462 -0.001114629 0.000319560 -0.000541353 0.000378170 -0.000695208 0.000999155 -0.000045937 0.001396701 -0.001197565 0.001058472 -0.000097454 0.001003515 0.000156169 0.001512706 -0.001417521 -0.000071057 -0.000527398 0.001324091 -0.001344703 0.000176369 -0.001120470 -0.000079628 -0.001598353 0.001002440 -0.000878621 -0.000915167 -0.001961884 0.000489980 -0.000274639 -0.002025849 0.001402041 0.000010417 0.001613304 0.000579439 -0.001827665 0.000975196 -0.000188592 0.002160048 -0.000883095 -0.001544326 0.000674394 -0.000888933 -0.000364845 0.000189352 0.000787571 -0.000049143 0.000219395 0.001112117 -0.000359415 -0.000643346 0.000146882 0.001074557 0.000947361 0.001109360 0.000389166 0.000196128 0.016186180 0.003724340 (Enter /usr/local/gaussian/gaussian16/g16/l716.exe) Closed 1 1 1 -1856.59471050844 -1856.59471443197 -0.000003923528 -1856.59471438391 0.000000048054 -1856.59471447935 -0.000000095434 -1856.59471448070 -0.000000001348 -1856.59471448110 -0.000000000404 -1856.59471448120 -0.000000000103 -1856.59471448133 -0.000000000127 -1856.59471448139 -0.000000000060 -1856.59471448 9 1.850599928580e+03 -9.281292621121e+03 3.114397662312e+03 Using DIIS extrapolation, IDIIS= 1040. NGot= 11324620800 LenX= 11323543994 LenY= 11323011824 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) PT89654.300S 2023-04-27T15:05:46.000 Mulliken charges: 1 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 Cl S O O N N C C C C C C C C C C C C C C C C C C C H H H H H H H H H H H H H H H H H H H H H H H 0.532096 0.429804 0.002847 -0.180216 -0.070759 0.049324 0.007629 -0.333780 -0.014728 -0.310665 -0.406531 -0.259810 -0.667287 -0.659714 -0.313016 -0.043003 -0.416099 1.309832 -0.930673 -0.599425 0.427976 -0.281225 -0.444377 -0.108407 -0.380270 0.138485 0.143691 0.144635 0.143028 0.146551 0.134309 0.141907 0.140767 0.163330 0.170795 0.140264 0.139265 0.228736 0.230043 0.138800 0.143832 0.139947 0.173273 0.163138 0.198745 0.161947 0.160924 0.174067 -0.00000 -101.57372 -88.87714 -19.20873 -19.14683 -14.37204 -14.37178 -10.34987 -10.29185 -10.28580 -10.24970 -10.22497 -10.20755 -10.19948 -10.18492 -10.18349 -10.18105 -10.18008 -10.17974 -10.16692 -10.15668 -10.15624 -10.15383 -10.15371 -10.15347 -10.14980 -9.48834 -7.96370 -7.25302 -7.24325 -7.24263 -5.92747 -5.92310 -5.91827 -1.15077 -1.06835 -1.05076 -0.91056 -0.87684 -0.85416 -0.82953 -0.82229 -0.80158 -0.77680 -0.76243 -0.75621 -0.74499 -0.71162 -0.69084 -0.67958 -0.64219 -0.62275 -0.61345 -0.60367 -0.59009 -0.57400 -0.56929 -0.56577 -0.54008 -0.52364 -0.51051 -0.49909 -0.48193 -0.47859 -0.47548 -0.47289 -0.46072 -0.45801 -0.45097 -0.44716 -0.43589 -0.43202 -0.42829 -0.42482 -0.41954 -0.40704 -0.39449 -0.38984 -0.38067 -0.37279 -0.36947 -0.36766 -0.36251 -0.35926 -0.35347 -0.35207 -0.34157 -0.33583 -0.33397 -0.33057 -0.32095 -0.32063 -0.31780 -0.31525 -0.30778 -0.30372 -0.30136 -0.27277 -0.27082 -0.26216 -0.25655 -0.07764 -0.06536 -0.02977 -0.01874 -0.01149 -0.00153 0.00051 0.00463 0.01105 0.01316 0.01805 0.02080 0.02562 0.03153 0.03583 0.03714 0.04175 0.04739 0.04917 0.05136 0.05421 0.05715 0.06229 0.06661 0.06831 0.07097 0.07356 0.07629 0.08071 0.08263 0.08288 0.08686 0.09189 0.09316 0.09508 0.09753 0.10181 0.10574 0.10713 0.11053 0.11527 0.11766 0.11873 0.12195 0.12333 0.12437 0.12904 0.13098 0.13220 0.13745 0.13817 0.14373 0.14550 0.15026 0.15212 0.15681 0.15811 0.15935 0.16118 0.16415 0.16560 0.17007 0.17527 0.17610 0.17711 0.18121 0.18224 0.18507 0.18835 0.19088 0.19560 0.19617 0.19814 0.19927 0.20385 0.20508 0.20635 0.20859 0.21259 0.21456 0.21653 0.21817 0.21918 0.22198 0.22423 0.22712 0.22941 0.23206 0.23319 0.23684 0.23840 0.24031 0.24165 0.24434 0.24774 0.24966 0.25087 0.25501 0.25533 0.25634 0.25872 0.26258 0.26485 0.26618 0.27040 0.27138 0.27462 0.27673 0.28164 0.28431 0.28590 0.29110 0.29570 0.29586 0.29875 0.29961 0.30230 0.30892 0.31001 0.31180 0.31653 0.31874 0.32211 0.32643 0.32843 0.33394 0.33455 0.34094 0.34324 0.35028 0.35246 0.35345 0.35654 0.36003 0.36254 0.36857 0.37027 0.37128 0.37585 0.37837 0.38535 0.38954 0.39229 0.39936 0.40035 0.41324 0.41947 0.42672 0.43089 0.43363 0.44253 0.44674 0.44893 0.45476 0.46220 0.46394 0.46965 0.47554 0.48512 0.48920 0.50105 0.50269 0.50973 0.51302 0.52167 0.53551 0.54481 0.54595 0.54948 0.55331 0.55540 0.56266 0.56417 0.57425 0.57722 0.58096 0.58513 0.59267 0.60027 0.60374 0.60943 0.61238 0.62124 0.63026 0.63421 0.63912 0.64448 0.64766 0.65363 0.65457 0.65701 0.66108 0.66244 0.66912 0.67631 0.67745 0.68253 0.68613 0.69141 0.69632 0.69847 0.70427 0.70561 0.70861 0.71276 0.71411 0.72461 0.72602 0.73088 0.73610 0.74154 0.74675 0.75047 0.75210 0.75347 0.76144 0.76557 0.77372 0.77499 0.77866 0.78384 0.78569 0.79603 0.80247 0.80590 0.81079 0.81729 0.82303 0.82758 0.83068 0.83534 0.84370 0.84950 0.85108 0.85344 0.86073 0.86779 0.87294 0.87611 0.88128 0.88688 0.88882 0.89722 0.89964 0.90334 0.91259 0.91660 0.92341 0.92610 0.93450 0.93759 0.94693 0.95349 0.95921 0.96787 0.97043 0.98151 0.98781 0.99219 1.00003 1.00408 1.01675 1.01790 1.02982 1.03587 1.04310 1.04638 1.05251 1.05822 1.06618 1.07644 1.08295 1.08696 1.09789 1.10873 1.11637 1.12291 1.12617 1.12871 1.13971 1.16148 1.17019 1.17250 1.17432 1.19485 1.20705 1.21765 1.23226 1.24553 1.25454 1.25813 1.26278 1.27177 1.28024 1.30170 1.30563 1.31059 1.31374 1.33142 1.34238 1.34984 1.35356 1.36269 1.37529 1.39213 1.42114 1.43061 1.45100 1.47015 1.48066 1.48431 1.50114 1.50575 1.50723 1.51695 1.53112 1.53317 1.54066 1.54392 1.55339 1.56044 1.56484 1.57131 1.57558 1.58511 1.58880 1.59487 1.60165 1.60453 1.61051 1.61606 1.61931 1.62390 1.62435 1.63149 1.64027 1.64598 1.65168 1.65961 1.66773 1.67101 1.67468 1.68065 1.68969 1.69436 1.69676 1.70397 1.70819 1.72024 1.73150 1.73831 1.74515 1.75130 1.75978 1.76265 1.76876 1.77490 1.77849 1.78882 1.79175 1.79786 1.80383 1.81196 1.81559 1.81989 1.82243 1.83662 1.84345 1.85613 1.86197 1.86469 1.87578 1.88457 1.89791 1.90557 1.91392 1.92969 1.93125 1.93790 1.95290 1.95490 1.96709 1.97594 1.98243 1.98891 1.99245 1.99836 2.00301 2.01761 2.03442 2.04084 2.05215 2.06622 2.07115 2.07508 2.08061 2.09257 2.09907 2.10422 2.10972 2.13227 2.14235 2.15855 2.16576 2.17102 2.19113 2.20923 2.22916 2.23277 2.23911 2.25623 2.26434 2.26515 2.27803 2.28917 2.29244 2.31923 2.33422 2.34643 2.34875 2.35726 2.37167 2.38616 2.38977 2.40254 2.42650 2.43419 2.43669 2.44174 2.44428 2.45750 2.46700 2.47006 2.47930 2.49040 2.51145 2.51795 2.52730 2.53351 2.55112 2.56642 2.57136 2.57815 2.58568 2.58995 2.60735 2.61029 2.61898 2.63840 2.64257 2.64716 2.65060 2.65664 2.66302 2.67620 2.68023 2.68533 2.69252 2.69660 2.71886 2.72519 2.72874 2.73052 2.73634 2.74413 2.75318 2.75399 2.75869 2.77322 2.77973 2.79057 2.79738 2.81061 2.81876 2.82214 2.82415 2.82769 2.83768 2.84818 2.85040 2.87045 2.87818 2.88973 2.90040 2.90983 2.91549 2.93014 2.94045 2.94406 2.95540 2.95790 2.96397 2.96570 2.97400 2.98851 3.01273 3.01548 3.03124 3.04067 3.04209 3.04994 3.07166 3.09289 3.10441 3.12849 3.15104 3.17216 3.17993 3.19290 3.21034 3.22022 3.25696 3.27101 3.28393 3.30068 3.35115 3.36434 3.38596 3.41312 3.44289 3.45895 3.51889 3.52433 3.52862 3.57400 3.58384 3.59774 3.64616 3.69857 3.73284 3.77133 3.78532 3.80235 3.81856 3.81965 3.82153 3.83940 3.86222 3.86867 3.88452 3.89660 3.98856 4.01202 4.02341 4.03399 4.04456 4.06565 4.06964 4.08338 4.12408 4.15341 4.17382 4.19146 4.19585 4.28352 4.36209 4.41013 4.42250 4.56251 4.57755 4.84639 5.10650 5.14327 5.21390 5.33428 5.54797 5.63631 5.90322 7.98611 9.76984 17.36546 17.48384 17.52497 23.57237 23.71461 23.77917 23.84912 23.88501 23.88621 23.90429 23.90738 23.92021 23.92469 23.94018 23.94207 23.96647 23.98063 24.01426 24.07679 24.09865 24.10315 24.19177 25.80789 26.04301 26.55782 35.53405 35.59915 49.92343 49.97122 189.16510 215.76096 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 40 41 42 43 44 45 46 47 48 Cl S O O N N C C C C C C C C C C C C C C C C C C C H H H H H H H H H H H H H H H H H H H H H H H 0.539495 0.392020 -0.021837 -0.174032 -0.045083 0.029397 0.009959 -0.252881 -0.078236 -0.384431 -0.419623 -0.223243 -0.606899 -0.665500 -0.317234 0.076334 -0.799422 1.115628 -0.643031 -0.274818 0.450411 -0.451564 -0.511481 -0.026140 -0.390496 0.135315 0.144248 0.144580 0.141056 0.147298 0.134435 0.142537 0.143601 0.164275 0.168890 0.140546 0.136912 0.225629 0.231212 0.139451 0.145004 0.141110 0.171662 0.163585 0.201159 0.162513 0.161891 0.185795 -0.00000 -2.14216121e+00 2.17171810e+00 -6.72500041e-01 ./ancestor::cml:module[@dictRef='cc:finalization']/cml:molecule[@id='mol9999'] -5.4448 5.5200 -1.7093 7.9396 -173.4779 -168.2991 -165.3076 15.4002 -8.4439 1.5830 -4.4497 0.7290 3.7206 15.4002 -8.4439 1.5830 -46.2037 104.3770 -1.7903 -55.6985 109.3072 -32.7813 4.6503 -3.4615 15.2781 4.0195 -15490.7827 -3394.5678 -734.2733 341.8620 -120.5304 48.5811 34.0762 -4.5294 -8.1409 -3256.1981 -2646.7848 -688.1122 55.5233 -40.6291 -8.0028 (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A) (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A) (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A) (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(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 -1856.5947145 3.843E-9 3.289E-6 -11.1048801,7.7129751,3.3919049,9.1071282,0.3801595,1.0462638 C01 [X(C19H23Cl1N2O2S1)] 2.7450365 -1.4370004 0.3965793 -0.000003453 -0.000005475 0.000000652 0.000002264 0.000001114 -0.000003999 0.000008064 -0.000008979 0.000001731 0.000003602 -0.000003753 -0.000003296 -0.000014436 -0.000001992 0.000002032 0.000007482 -0.000000957 0.000002641 -0.000000539 0.000000861 0.000000928 -0.000000401 0.000001184 0.000000163 0.000000421 -0.000001585 -0.000000160 -0.000000903 0.000003390 0.000001226 0.000002585 0.000000029 -0.000002542 -0.000002215 0.000002419 -0.000000438 0.000004143 -0.000004184 0.000000294 -0.000001543 0.000003635 0.000002182 -0.000003313 -0.000000944 -0.000000209 -0.000004324 0.000015123 -0.000001730 0.000011282 -0.000010878 0.000003328 -0.000005841 -0.000000169 -0.000000840 0.000001952 0.000001074 0.000001649 -0.000000096 -0.000001232 0.000000038 -0.000005290 -0.000004816 -0.000001946 -0.000002123 -0.000002066 0.000000097 -0.000001073 -0.000001039 0.000002119 -0.000000786 0.000000948 0.000003296 0.000008486 -0.000001944 -0.000001853 -0.000000758 -0.000000318 -0.000000650 0.000000089 0.000000101 -0.000000791 0.000000510 0.000001493 -0.000001927 -0.000000126 0.000002146 -0.000000203 0.000000914 0.000000765 -0.000002901 0.000000351 0.000000923 -0.000002003 -0.000000295 0.000000971 -0.000000259 -0.000001801 0.000001376 0.000001286 0.000001430 -0.000000878 -0.000001203 0.000000807 -0.000001962 -0.000000965 -0.000001182 0.000003531 0.000000118 -0.000001379 0.000003806 0.000001370 0.000001832 0.000000361 -0.000002407 0.000002213 -0.000001255 -0.000002459 -0.000002477 0.000002487 0.000002087 -0.000002977 0.000003978 0.000001757 -0.000002206 0.000002704 0.000001139 0.000000690 0.000001441 -0.000001351 -0.000000149 -0.000001785 0.000001816 0.000003627 -0.000002181 -0.000000669 -0.000000417 0.000001872 -0.000000131 -0.000001879 -0.000000847 0.000001978 -0.000000764 0.000001507 0.000001001 355.7334999999997 AuxInfo=1/0/N:7;8;9;10;11;12;13;14;15;16;17;18;19;20;21;22;23;24;25;1;5;6;3;4;2;26;27;28;29;30;31;32;33;34;35;36;37;38;39;40;41;42;43;44;45;46;47;48/rA:48nCl0S0O0O0N0N0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:-6.3633,-1.4181,-.6311;.9328,-2.8303,.4275;-1.3017,-1.9637,-.4537;-.8596,-1.2843,1.6724;-3.3668,1.0337,-.724;-4.5903,.5033,-.7066;3.9319,.7545,1.3466;4.8756,1.2269,.2381;3.3872,-.6579,1.1177;5.3863,2.6555,.4435;2.3345,-1.0523,2.1552;6.2985,3.1472,-.6844;1.7973,-2.4757,2.0203;6.8024,4.5758,-.4684;-.5337,-1.8915,.6883;-2.4082,-1.1354,-.5284;-2.2757,.2657,-.6511;-.9665,.9572,-.6888;.0812,.4754,-1.4854;-.7766,2.1217,.067;-3.6566,-1.7014,-.5208;1.2973,1.1528,-1.527;.4441,2.7892,.029;1.4829,2.3078,-.7688;-4.7223,-.8049,-.6244;3.0892,1.4524,1.4208;4.4516,.7948,2.3127;4.3538,1.1657,-.7255;5.7303,.5413,.1677;4.2129,-1.3811,1.1359;2.9471,-.7106,.116;5.9264,2.7151,1.3977;4.529,3.3357,.5353;2.7665,-.9801,3.1615;1.5018,-.3442,2.1239;7.1545,2.4672,-.7787;5.7555,3.0908,-1.6364;2.6061,-3.211,2.0357;1.1003,-2.722,2.8223;5.9679,5.2825,-.402;7.4498,4.9021,-1.2885;7.3773,4.6549,.4608;-.0576,-.4176,-2.0825;-1.5827,2.491,.6896;-3.7954,-2.7696,-.4226;2.0987,.7765,-2.1522;.5865,3.6829,.6262;2.434,2.8268,-.7946; Gaussian 16 GINC-FRESNEDILLAS APULGAR Optimization pyridate CONF5 octanol EM64L-G16RevC.01 138 C1[X(C19H23ClN2O2S)] 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 0 0 0 0 0 0 0 0 0 355.7334999999997 AuxInfo=1/0/N:7;8;9;10;11;12;13;14;15;16;17;18;19;20;21;22;23;24;25;1;5;6;3;4;2;26;27;28;29;30;31;32;33;34;35;36;37;38;39;40;41;42;43;44;45;46;47;48/rA:48nCl0S0O0O0N0N0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:-6.3633,-1.4181,-.6311;.9328,-2.8303,.4275;-1.3017,-1.9637,-.4537;-.8596,-1.2843,1.6724;-3.3668,1.0337,-.724;-4.5903,.5033,-.7066;3.9319,.7545,1.3466;4.8756,1.2269,.2381;3.3872,-.6579,1.1177;5.3863,2.6555,.4435;2.3345,-1.0523,2.1552;6.2985,3.1472,-.6844;1.7973,-2.4757,2.0203;6.8024,4.5758,-.4684;-.5337,-1.8915,.6883;-2.4082,-1.1354,-.5284;-2.2757,.2657,-.6511;-.9665,.9572,-.6888;.0812,.4754,-1.4854;-.7766,2.1217,.067;-3.6566,-1.7014,-.5208;1.2973,1.1528,-1.527;.4441,2.7892,.029;1.4829,2.3078,-.7688;-4.7223,-.8049,-.6244;3.0892,1.4524,1.4208;4.4516,.7948,2.3127;4.3538,1.1657,-.7255;5.7303,.5413,.1677;4.2129,-1.3811,1.1359;2.9471,-.7106,.116;5.9264,2.7151,1.3977;4.529,3.3357,.5353;2.7665,-.9801,3.1615;1.5018,-.3442,2.1239;7.1545,2.4672,-.7787;5.7555,3.0908,-1.6364;2.6061,-3.211,2.0357;1.1003,-2.722,2.8223;5.9679,5.2825,-.402;7.4498,4.9021,-1.2885;7.3773,4.6549,.4608;-.0576,-.4176,-2.0825;-1.5827,2.491,.6896;-3.7954,-2.7696,-.4226;2.0987,.7765,-2.1522;.5865,3.6829,.6262;2.434,2.8268,-.7946; Optimization pyridate CONF5 octanol 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 40 41 42 43 44 45 46 47 48 35 32 16 16 14 14 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 34.9688527 31.9720718 15.9949146 15.9949146 14.0030740 14.0030740 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 3 0 0 0 2 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 14.2400000 13.6000000 5.6000000 5.6000000 4.5500000 4.5500000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 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 1.0000000 1.0000000 1.0000000 (Enter /usr/local/gaussian/gaussian16/g16/l101.exe) Structure from the checkpoint file: "/home/apulgar/almacen/pesticidas/6_herbicides/pyridate/gaussian/octanol/CONF5/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 R40 R41 R42 R43 R44 R45 R46 R47 R48 R49 1 2 2 3 3 4 5 5 6 7 7 7 7 8 8 8 9 9 9 10 10 10 11 11 11 12 12 12 13 13 14 14 14 16 16 17 18 18 19 19 20 20 21 21 22 22 23 23 24 25 13 15 15 16 15 6 17 25 8 9 26 27 10 28 29 11 30 31 12 32 33 13 34 35 14 36 37 38 39 40 41 42 17 21 18 19 20 22 43 23 44 25 45 24 46 24 47 48 1.7519 1.8466 1.7607 1.3781 1.3842 1.2014 1.3336 1.3363 1.3174 1.5306 1.531 1.0967 1.0977 1.5309 1.0975 1.098 1.5297 1.0977 1.0954 1.5317 1.0981 1.0983 1.5273 1.0975 1.0935 1.5302 1.0972 1.0974 1.0932 1.0907 1.0956 1.0947 1.0955 1.4126 1.3707 1.4812 1.4016 1.4011 1.3927 1.0831 1.3918 1.0835 1.3965 1.0816 1.3941 1.0839 1.3954 1.0843 1.0838 calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|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 A69 A70 A71 A72 A73 A74 A75 A76 A77 A78 A79 A80 A81 A82 A83 A84 A85 13 15 6 5 8 8 8 9 9 26 7 7 7 10 10 28 7 7 7 11 11 30 8 8 8 12 12 32 9 9 9 13 13 34 10 10 10 14 14 36 2 2 2 11 11 38 12 12 12 40 40 41 2 2 3 3 3 17 5 5 16 17 17 19 18 18 22 18 18 23 16 16 25 19 19 24 20 20 24 22 22 23 1 1 6 2 3 5 6 7 7 7 7 7 7 8 8 8 8 8 8 9 9 9 9 9 9 10 10 10 10 10 10 11 11 11 11 11 11 12 12 12 12 12 12 13 13 13 13 13 13 14 14 14 14 14 14 15 15 15 16 16 16 17 17 17 18 18 18 19 19 19 20 20 20 21 21 21 22 22 22 23 23 23 24 24 24 25 25 25 15 16 17 25 9 26 27 26 27 27 10 28 29 28 29 29 11 30 31 30 31 31 12 32 33 32 33 33 13 34 35 34 35 35 14 36 37 36 37 37 11 38 39 38 39 39 40 41 42 41 42 42 3 4 4 17 21 21 16 18 18 19 20 20 22 43 43 23 44 44 25 45 45 24 46 46 24 47 47 23 48 48 6 21 21 99.195 117.3155 121.3144 119.1892 113.3188 109.0467 109.5212 108.8983 109.502 106.3114 113.3603 108.9926 109.4882 109.1775 109.3686 106.2031 112.4145 109.7376 108.9087 109.6658 109.3423 106.5984 113.5407 109.3549 109.1921 109.2398 109.1249 106.1215 114.9881 109.5082 109.736 106.3051 109.4557 106.4653 113.0699 109.2032 109.1257 109.5003 109.4738 106.238 114.8214 103.26 106.9574 111.4297 111.7337 108.0909 111.0996 111.5487 111.0989 107.6748 107.5634 107.6699 108.2719 128.077 123.6492 121.5466 118.7263 119.7004 119.8822 116.8724 123.2412 120.9781 119.6098 119.4053 120.1642 120.0634 119.7661 120.1806 119.4977 120.3176 115.435 121.681 122.875 120.2007 119.6046 120.1947 120.2021 119.6998 120.0973 119.8445 120.0423 120.1121 116.1795 119.3689 124.448 calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|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 D74 D75 D76 D77 D78 D79 D80 D81 D82 D83 D84 D85 D86 D87 D88 D89 D90 D91 D92 D93 D94 D95 D96 D97 D98 D99 D100 D101 D102 D103 D104 D105 D106 D107 D108 D109 D110 D111 D112 D113 D114 D115 D116 D117 15 15 15 13 13 16 16 15 15 17 6 6 5 5 9 9 9 26 26 26 27 27 27 8 8 8 26 26 26 27 27 27 7 7 7 28 28 28 29 29 29 7 7 7 30 30 30 31 31 31 8 8 8 32 32 32 33 33 33 9 9 9 34 34 34 35 35 35 10 10 10 36 36 36 37 37 37 3 3 21 21 3 3 17 17 5 5 16 16 17 17 20 20 17 17 19 19 18 18 43 43 18 18 44 44 16 16 45 45 19 19 46 46 20 20 47 47 2 2 2 2 2 3 3 3 3 5 5 5 6 6 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 8 8 8 8 8 8 8 8 8 9 9 9 9 9 9 9 9 9 10 10 10 10 10 10 10 10 10 11 11 11 11 11 11 11 11 11 12 12 12 12 12 12 12 12 12 16 16 16 16 16 16 16 16 17 17 17 17 18 18 18 18 18 18 18 18 19 19 19 19 20 20 20 20 21 21 21 21 22 22 22 22 23 23 23 23 13 13 13 15 15 15 15 16 16 6 17 17 25 25 8 8 8 8 8 8 8 8 8 9 9 9 9 9 9 9 9 9 10 10 10 10 10 10 10 10 10 11 11 11 11 11 11 11 11 11 12 12 12 12 12 12 12 12 12 13 13 13 13 13 13 13 13 13 14 14 14 14 14 14 14 14 14 17 17 17 17 21 21 21 21 18 18 18 18 19 19 19 19 20 20 20 20 22 22 22 22 23 23 23 23 25 25 25 25 24 24 24 24 24 24 24 24 11 38 39 3 4 2 4 17 21 25 16 18 1 21 10 28 29 10 28 29 10 28 29 11 30 31 11 30 31 11 30 31 12 32 33 12 32 33 12 32 33 13 34 35 13 34 35 13 34 35 14 36 37 14 36 37 14 36 37 2 38 39 2 38 39 2 38 39 40 41 42 40 41 42 40 41 42 5 18 5 18 25 45 25 45 19 20 19 20 22 43 22 43 23 44 23 44 24 46 24 46 24 47 24 47 1 6 1 6 23 48 23 48 22 48 22 48 -71.5104 166.985 53.0697 176.4728 -4.0158 -170.8771 9.585 68.9174 -112.9666 -0.4411 -1.1623 179.5582 -179.1352 1.5641 178.1958 56.3869 -59.3885 56.7331 -65.0758 179.1488 -59.2206 178.9705 63.1951 -173.9096 63.7636 -52.5771 -52.3636 -174.6904 68.9689 63.4961 -58.8307 -175.1713 -178.3077 59.4161 -56.2992 -56.6022 -178.8784 65.4063 59.2102 -63.066 -178.7813 -177.3231 -57.7374 58.7861 -54.9556 64.63 -178.8465 61.5926 -178.8217 -62.2983 179.9879 -57.8339 57.8997 -57.6722 64.506 -179.7604 57.9421 -179.8798 -64.1462 -61.6541 55.2835 176.3194 177.0004 -66.062 54.9739 62.3849 179.3225 -59.6416 -59.7645 -179.9142 59.9429 178.2237 58.0741 -62.0689 62.1286 -58.021 -178.164 179.8248 -0.9436 1.7268 -179.0416 -178.8417 2.2222 -0.6901 -179.6262 -135.3672 43.6794 45.3797 -135.5737 178.8202 -0.2689 -0.2283 -179.3174 -179.2959 1.436 -0.2342 -179.5023 0.4955 -179.5175 179.5873 -0.4256 0.4315 -179.2674 179.6935 -0.0053 179.7648 -0.9553 -1.3132 177.9667 -0.2988 179.3216 179.7143 -0.6654 -0.165 -179.7851 179.5327 -0.0874 calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|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. 0.00213 0.00245 0.00253 0.00291 0.00298 0.00359 0.00430 0.00679 0.00872 0.01283 0.01510 0.01672 0.01729 0.01788 0.02016 0.02258 0.02411 0.02418 0.02553 0.02632 0.02773 0.02853 0.02872 0.03050 0.03170 0.03204 0.03358 0.03468 0.03664 0.03778 0.03801 0.03811 0.03836 0.03879 0.03935 0.03963 0.04010 0.04184 0.04249 0.04510 0.04552 0.05062 0.05436 0.06895 0.07054 0.07235 0.07282 0.07355 0.07454 0.08111 0.08911 0.09612 0.10173 0.10631 0.10862 0.10994 0.11504 0.12008 0.12032 0.12190 0.12237 0.12794 0.13139 0.13562 0.13651 0.13925 0.14039 0.15166 0.15702 0.16030 0.16255 0.17191 0.17917 0.18065 0.18754 0.19243 0.19343 0.19407 0.19661 0.20098 0.20328 0.20445 0.20822 0.22121 0.22595 0.23129 0.24657 0.25647 0.26743 0.27243 0.27494 0.27885 0.28217 0.28447 0.28653 0.29371 0.30602 0.31146 0.31679 0.31762 0.31878 0.31967 0.32045 0.32177 0.32353 0.32586 0.32682 0.32792 0.32888 0.33034 0.33178 0.33229 0.33417 0.33535 0.33769 0.33973 0.34166 0.35414 0.35645 0.35729 0.35855 0.36062 0.36186 0.36549 0.38182 0.40940 0.41421 0.41853 0.42987 0.45986 0.46195 0.46837 0.49070 0.50403 0.50765 0.54088 0.84464 1.10711 Angle between quadratic step and forces= 75.32 degrees. 1 2 0.00011039 0.00000001 0.00000000 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 R40 R41 R42 R43 R44 R45 R46 R47 R48 R49 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 A69 A70 A71 A72 A73 A74 A75 A76 A77 A78 A79 A80 A81 A82 A83 A84 A85 D1 D2 D3 D4 D5 D6 D7 D8 D9 D10 D11 D12 D13 D14 D15 D16 D17 D18 D19 D20 D21 D22 D23 D24 D25 D26 D27 D28 D29 D30 D31 D32 D33 D34 D35 D36 D37 D38 D39 D40 D41 D42 D43 D44 D45 D46 D47 D48 D49 D50 D51 D52 D53 D54 D55 D56 D57 D58 D59 D60 D61 D62 D63 D64 D65 D66 D67 D68 D69 D70 D71 D72 D73 D74 D75 D76 D77 D78 D79 D80 D81 D82 D83 D84 D85 D86 D87 D88 D89 D90 D91 D92 D93 D94 D95 D96 D97 D98 D99 D100 D101 D102 D103 D104 D105 D106 D107 D108 D109 D110 D111 D112 D113 D114 D115 D116 D117 3.31056 3.48960 3.32721 2.60421 2.61581 2.27032 2.52013 2.52522 2.48958 2.89239 2.89308 2.07239 2.07440 2.89305 2.07395 2.07483 2.89079 2.07437 2.07005 2.89449 2.07506 2.07541 2.88625 2.07393 2.06641 2.89169 2.07347 2.07373 2.06588 2.06109 2.07029 2.06864 2.07023 2.66951 2.59025 2.79899 2.64855 2.64778 2.63175 2.04684 2.63013 2.04752 2.63895 2.04391 2.63437 2.04823 2.63697 2.04905 2.04812 1.73128 2.04754 2.11734 2.08024 1.97779 1.90322 1.91151 1.90063 1.91117 1.85548 1.97851 1.90228 1.91093 1.90551 1.90884 1.85359 1.96200 1.91528 1.90082 1.91403 1.90838 1.86049 1.98166 1.90860 1.90576 1.90659 1.90459 1.85217 2.00692 1.91128 1.91526 1.85537 1.91036 1.85817 1.97344 1.90596 1.90460 1.91114 1.91068 1.85420 2.00401 1.80223 1.86676 1.94482 1.95012 1.88654 1.93905 1.94689 1.93904 1.87928 1.87734 1.87919 1.88970 2.23537 2.15809 2.12139 2.07217 2.08917 2.09234 2.03981 2.15096 2.11147 2.08758 2.08402 2.09726 2.09550 2.09031 2.09755 2.08563 2.09994 2.01472 2.12373 2.14457 2.09790 2.08749 2.09779 2.09792 2.08916 2.09609 2.09168 2.09513 2.09635 2.02772 2.08338 2.17203 -1.24809 2.91444 0.92624 3.08003 -0.07009 -2.98237 0.16729 1.20284 -1.97164 -0.00770 -0.02029 3.13388 -3.12650 0.02730 3.11010 0.98414 -1.03652 0.99018 -1.13579 3.12674 -1.03359 3.12363 1.10296 -3.03530 1.11288 -0.91764 -0.91392 -3.04892 1.20373 1.10822 -1.02679 -3.05732 -3.11206 1.03701 -0.98261 -0.98790 -3.12202 1.14156 1.03341 -1.10071 -3.12032 -3.09487 -1.00771 1.02601 -0.95916 1.12801 -3.12146 1.07499 -3.12103 -1.08731 3.14138 -1.00939 1.01054 -1.00657 1.12584 -3.13741 1.01128 -3.13949 -1.11956 -1.07607 0.96488 3.07735 3.08924 -1.15300 0.95948 1.08882 3.12977 -1.04094 -1.04309 -3.14009 1.04620 3.11059 1.01358 -1.08331 1.08435 -1.01266 -3.10955 3.13853 -0.01647 0.03014 -3.12487 -3.12138 0.03879 -0.01204 -3.13507 -2.36260 0.76235 0.79202 -2.36621 3.12100 -0.00469 -0.00398 -3.12968 -3.12930 0.02506 -0.00409 -3.13291 0.00865 -3.13317 3.13439 -0.00743 0.00753 -3.12881 3.13624 -0.00009 3.13749 -0.01667 -0.02292 3.10610 -0.00521 3.12975 3.13661 -0.01161 -0.00288 -3.13784 3.13344 -0.00153 0.00000 -0.00000 -0.00000 -0.00000 0.00001 -0.00000 -0.00001 0.00001 -0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 -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 -0.00001 -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 -0.00001 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 -0.00001 -0.00000 0.00000 -0.00000 -0.00001 -0.00001 -0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00002 0.00001 0.00001 -0.00002 0.00003 -0.00000 -0.00004 0.00003 0.00001 0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00001 -0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00001 -0.00000 -0.00000 -0.00000 -0.00000 -0.00003 0.00001 -0.00001 0.00001 0.00000 -0.00001 -0.00000 -0.00000 -0.00000 -0.00002 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00001 -0.00001 0.00001 0.00001 0.00000 0.00000 -0.00000 -0.00001 0.00000 0.00000 0.00000 0.00001 -0.00001 0.00000 -0.00001 -0.00000 -0.00001 0.00001 -0.00000 0.00001 0.00000 -0.00000 -0.00000 -0.00001 0.00001 -0.00000 0.00000 0.00001 0.00000 0.00000 -0.00000 0.00001 -0.00001 -0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00003 0.00002 -0.00000 0.00001 -0.00000 0.00001 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00001 0.00001 0.00002 -0.00004 0.00002 -0.00003 -0.00001 0.00003 0.00000 0.00001 -0.00001 0.00001 0.00001 -0.00002 0.00001 0.00000 -0.00001 -0.00001 -0.00002 0.00003 0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00001 0.00000 0.00001 -0.00000 0.00001 -0.00001 -0.00002 -0.00002 -0.00004 -0.00003 -0.00001 0.00003 0.00001 -0.00008 -0.00007 -0.00003 -0.00003 -0.00005 0.00002 0.00005 0.00001 -0.00000 -0.00000 0.00002 0.00000 0.00001 0.00001 -0.00000 0.00000 -0.00007 -0.00007 -0.00007 -0.00007 -0.00008 -0.00007 -0.00007 -0.00007 -0.00007 0.00013 0.00014 0.00013 0.00015 0.00016 0.00015 0.00014 0.00015 0.00015 0.00000 0.00002 0.00001 0.00001 0.00003 0.00002 0.00001 0.00003 0.00003 0.00010 0.00010 0.00010 0.00009 0.00009 0.00009 0.00010 0.00009 0.00010 0.00001 0.00002 0.00003 -0.00000 0.00000 0.00002 -0.00000 0.00001 0.00002 0.00003 0.00003 0.00003 0.00003 0.00003 0.00003 0.00003 0.00003 0.00003 0.00006 0.00008 0.00006 0.00008 -0.00004 -0.00001 -0.00004 -0.00001 -0.00012 -0.00011 -0.00015 -0.00013 0.00003 0.00005 0.00001 0.00004 -0.00002 -0.00002 -0.00001 -0.00000 -0.00001 0.00000 -0.00003 -0.00002 -0.00000 -0.00001 -0.00001 -0.00001 0.00002 -0.00002 -0.00001 -0.00005 -0.00001 0.00001 -0.00002 0.00000 0.00001 -0.00000 0.00002 0.00000 0.00002 0.00001 0.00001 -0.00002 0.00003 -0.00000 -0.00004 0.00003 0.00001 0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00001 -0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00001 -0.00000 -0.00000 -0.00000 -0.00000 -0.00003 0.00001 -0.00001 0.00001 0.00000 -0.00001 -0.00000 -0.00000 -0.00000 -0.00002 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00001 -0.00001 0.00001 0.00001 0.00000 0.00000 -0.00000 -0.00001 0.00000 0.00000 0.00000 0.00001 -0.00001 0.00000 -0.00001 -0.00000 -0.00001 0.00001 -0.00000 0.00001 0.00000 -0.00000 -0.00000 -0.00001 0.00001 -0.00000 0.00000 0.00001 0.00000 0.00000 -0.00000 0.00001 -0.00001 -0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00003 0.00002 -0.00000 0.00001 -0.00000 0.00001 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00001 0.00001 0.00002 -0.00004 0.00002 -0.00003 -0.00001 0.00003 0.00000 0.00001 -0.00001 0.00001 0.00001 -0.00002 0.00001 0.00000 -0.00001 -0.00001 -0.00002 0.00003 0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00001 0.00000 0.00001 -0.00000 0.00001 -0.00001 -0.00002 -0.00002 -0.00004 -0.00003 -0.00001 0.00003 0.00001 -0.00008 -0.00007 -0.00003 -0.00003 -0.00005 0.00002 0.00005 0.00001 -0.00000 -0.00000 0.00002 0.00000 0.00001 0.00001 -0.00000 0.00000 -0.00007 -0.00007 -0.00007 -0.00007 -0.00008 -0.00007 -0.00007 -0.00007 -0.00007 0.00013 0.00014 0.00013 0.00015 0.00016 0.00015 0.00014 0.00015 0.00015 0.00000 0.00002 0.00001 0.00001 0.00003 0.00002 0.00001 0.00003 0.00003 0.00010 0.00010 0.00010 0.00009 0.00009 0.00009 0.00010 0.00009 0.00010 0.00001 0.00002 0.00003 -0.00000 0.00000 0.00002 -0.00000 0.00001 0.00002 0.00003 0.00003 0.00003 0.00003 0.00003 0.00003 0.00003 0.00003 0.00003 0.00006 0.00008 0.00006 0.00008 -0.00004 -0.00001 -0.00004 -0.00001 -0.00012 -0.00011 -0.00015 -0.00013 0.00003 0.00005 0.00001 0.00004 -0.00002 -0.00002 -0.00001 -0.00000 -0.00001 0.00000 -0.00003 -0.00002 -0.00000 -0.00001 -0.00001 -0.00001 0.00002 -0.00002 -0.00001 -0.00005 -0.00001 0.00001 -0.00002 0.00000 0.00001 -0.00000 0.00002 0.00000 3.31058 3.48961 3.32722 2.60420 2.61585 2.27032 2.52009 2.52525 2.48959 2.89239 2.89308 2.07239 2.07440 2.89305 2.07396 2.07483 2.89079 2.07437 2.07005 2.89449 2.07506 2.07541 2.88625 2.07393 2.06640 2.89170 2.07347 2.07372 2.06588 2.06109 2.07029 2.06864 2.07023 2.66948 2.59026 2.79897 2.64856 2.64778 2.63174 2.04684 2.63013 2.04752 2.63893 2.04391 2.63438 2.04823 2.63697 2.04905 2.04812 1.73127 2.04753 2.11734 2.08025 1.97779 1.90323 1.91150 1.90063 1.91117 1.85549 1.97851 1.90229 1.91092 1.90551 1.90884 1.85359 1.96199 1.91529 1.90081 1.91404 1.90839 1.86049 1.98165 1.90860 1.90577 1.90659 1.90459 1.85218 2.00693 1.91128 1.91525 1.85538 1.91035 1.85817 1.97344 1.90596 1.90460 1.91114 1.91068 1.85420 2.00398 1.80224 1.86676 1.94482 1.95012 1.88655 1.93905 1.94689 1.93904 1.87928 1.87734 1.87920 1.88970 2.23535 2.15809 2.12141 2.07212 2.08919 2.09231 2.03980 2.15100 2.11147 2.08760 2.08400 2.09727 2.09551 2.09030 2.09755 2.08563 2.09993 2.01471 2.12371 2.14460 2.09790 2.08749 2.09779 2.09793 2.08915 2.09610 2.09168 2.09513 2.09636 2.02771 2.08339 2.17202 -1.24811 2.91442 0.92620 3.08000 -0.07010 -2.98234 0.16730 1.20276 -1.97171 -0.00773 -0.02031 3.13383 -3.12648 0.02735 3.11012 0.98413 -1.03652 0.99020 -1.13578 3.12674 -1.03358 3.12362 1.10296 -3.03536 1.11281 -0.91772 -0.91398 -3.04900 1.20366 1.10815 -1.02686 -3.05739 -3.11193 1.03715 -0.98247 -0.98774 -3.12185 1.14171 1.03356 -1.10055 -3.12017 -3.09487 -1.00769 1.02602 -0.95915 1.12803 -3.12144 1.07501 -3.12100 -1.08728 3.14148 -1.00929 1.01064 -1.00648 1.12593 -3.13732 1.01138 -3.13940 -1.11947 -1.07606 0.96489 3.07739 3.08924 -1.15300 0.95950 1.08882 3.12977 -1.04092 -1.04306 -3.14006 1.04623 3.11062 1.01362 -1.08327 1.08438 -1.01263 -3.10952 3.13860 -0.01639 0.03020 -3.12478 -3.12142 0.03877 -0.01208 -3.13508 -2.36273 0.76224 0.79188 -2.36634 3.12103 -0.00464 -0.00397 -3.12964 -3.12933 0.02505 -0.00410 -3.13291 0.00864 -3.13317 3.13436 -0.00745 0.00753 -3.12881 3.13624 -0.00011 3.13750 -0.01669 -0.02293 3.10606 -0.00522 3.12976 3.13659 -0.01161 -0.00287 -3.13785 3.13345 -0.00152 |Maximum Force|RMS Force|Maximum Displacement|RMS Displacement| 0.000012 0.000002 0.000468 0.000110 0.000450 0.000300 0.001800 0.001200 YES YES YES YES -2.556279e-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 R40 R41 R42 R43 R44 R45 R46 R47 R48 R49 1 2 2 3 3 4 5 5 6 7 7 7 7 8 8 8 9 9 9 10 10 10 11 11 11 12 12 12 13 13 14 14 14 16 16 17 18 18 19 19 20 20 21 21 22 22 23 23 24 25 13 15 15 16 15 6 17 25 8 9 26 27 10 28 29 11 30 31 12 32 33 13 34 35 14 36 37 38 39 40 41 42 17 21 18 19 20 22 43 23 44 25 45 24 46 24 47 48 1.7519 1.8466 1.7607 1.3781 1.3842 1.2014 1.3336 1.3363 1.3174 1.5306 1.531 1.0967 1.0977 1.5309 1.0975 1.098 1.5297 1.0977 1.0954 1.5317 1.0981 1.0983 1.5273 1.0975 1.0935 1.5302 1.0972 1.0974 1.0932 1.0907 1.0956 1.0947 1.0955 1.4126 1.3707 1.4812 1.4016 1.4011 1.3927 1.0831 1.3918 1.0835 1.3965 1.0816 1.3941 1.0839 1.3954 1.0843 1.0838 -DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-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 A69 A70 A71 A72 A73 A74 A75 A76 A77 A78 A79 A80 A81 A82 A83 A84 A85 13 15 6 5 8 8 8 9 9 26 7 7 7 10 10 28 7 7 7 11 11 30 8 8 8 12 12 32 9 9 9 13 13 34 10 10 10 14 14 36 2 2 2 11 11 38 12 12 12 40 40 41 2 2 3 3 3 17 5 5 16 17 17 19 18 18 22 18 18 23 16 16 25 19 19 24 20 20 24 22 22 23 1 1 6 2 3 5 6 7 7 7 7 7 7 8 8 8 8 8 8 9 9 9 9 9 9 10 10 10 10 10 10 11 11 11 11 11 11 12 12 12 12 12 12 13 13 13 13 13 13 14 14 14 14 14 14 15 15 15 16 16 16 17 17 17 18 18 18 19 19 19 20 20 20 21 21 21 22 22 22 23 23 23 24 24 24 25 25 25 15 16 17 25 9 26 27 26 27 27 10 28 29 28 29 29 11 30 31 30 31 31 12 32 33 32 33 33 13 34 35 34 35 35 14 36 37 36 37 37 11 38 39 38 39 39 40 41 42 41 42 42 3 4 4 17 21 21 16 18 18 19 20 20 22 43 43 23 44 44 25 45 45 24 46 46 24 47 47 23 48 48 6 21 21 99.195 117.3155 121.3144 119.1892 113.3188 109.0467 109.5212 108.8983 109.502 106.3114 113.3603 108.9926 109.4882 109.1775 109.3686 106.2031 112.4145 109.7376 108.9087 109.6658 109.3423 106.5984 113.5407 109.3549 109.1921 109.2398 109.1249 106.1215 114.9881 109.5082 109.736 106.3051 109.4557 106.4653 113.0699 109.2032 109.1257 109.5003 109.4738 106.238 114.8214 103.26 106.9574 111.4297 111.7337 108.0909 111.0996 111.5487 111.0989 107.6748 107.5634 107.6699 108.2719 128.077 123.6492 121.5466 118.7263 119.7004 119.8822 116.8724 123.2412 120.9781 119.6098 119.4053 120.1642 120.0634 119.7661 120.1806 119.4977 120.3176 115.435 121.681 122.875 120.2007 119.6046 120.1947 120.2021 119.6998 120.0973 119.8445 120.0423 120.1121 116.1795 119.3689 124.448 -DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0 D1 D2 D3 D4 D5 D6 D7 D8 D9 D10 D11 D12 D13 D14 D15 D16 D17 D18 D19 D20 D21 D22 D23 D24 D25 D26 D27 D28 D29 D30 D31 D32 D33 D34 D35 D36 D37 D38 D39 D40 D41 D42 D43 D44 D45 D46 D47 D48 D49 D50 D51 D52 D53 D54 D55 D56 D57 D58 D59 D60 D61 D62 D63 D64 D65 D66 D67 D68 D69 D70 D71 D72 D73 D74 D75 D76 D77 D78 D79 D80 D81 D82 D83 D84 D85 D86 D87 D88 D89 D90 D91 D92 D93 D94 D95 D96 D97 D98 D99 D100 D101 D102 D103 D104 D105 D106 D107 D108 D109 D110 D111 D112 D113 D114 D115 D116 15 15 15 13 13 16 16 15 15 17 6 6 5 5 9 9 9 26 26 26 27 27 27 8 8 8 26 26 26 27 27 27 7 7 7 28 28 28 29 29 29 7 7 7 30 30 30 31 31 31 8 8 8 32 32 32 33 33 33 9 9 9 34 34 34 35 35 35 10 10 10 36 36 36 37 37 37 3 3 21 21 3 3 17 17 5 5 16 16 17 17 20 20 17 17 19 19 18 18 43 43 18 18 44 44 16 16 45 45 19 19 46 46 20 20 47 2 2 2 2 2 3 3 3 3 5 5 5 6 6 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 8 8 8 8 8 8 8 8 8 9 9 9 9 9 9 9 9 9 10 10 10 10 10 10 10 10 10 11 11 11 11 11 11 11 11 11 12 12 12 12 12 12 12 12 12 16 16 16 16 16 16 16 16 17 17 17 17 18 18 18 18 18 18 18 18 19 19 19 19 20 20 20 20 21 21 21 21 22 22 22 22 23 23 23 13 13 13 15 15 15 15 16 16 6 17 17 25 25 8 8 8 8 8 8 8 8 8 9 9 9 9 9 9 9 9 9 10 10 10 10 10 10 10 10 10 11 11 11 11 11 11 11 11 11 12 12 12 12 12 12 12 12 12 13 13 13 13 13 13 13 13 13 14 14 14 14 14 14 14 14 14 17 17 17 17 21 21 21 21 18 18 18 18 19 19 19 19 20 20 20 20 22 22 22 22 23 23 23 23 25 25 25 25 24 24 24 24 24 24 24 11 38 39 3 4 2 4 17 21 25 16 18 1 21 10 28 29 10 28 29 10 28 29 11 30 31 11 30 31 11 30 31 12 32 33 12 32 33 12 32 33 13 34 35 13 34 35 13 34 35 14 36 37 14 36 37 14 36 37 2 38 39 2 38 39 2 38 39 40 41 42 40 41 42 40 41 42 5 18 5 18 25 45 25 45 19 20 19 20 22 43 22 43 23 44 23 44 24 46 24 46 24 47 24 47 1 6 1 6 23 48 23 48 22 48 22 -71.5104 166.985 53.0697 176.4728 -4.0158 -170.8771 9.585 68.9174 -112.9666 -0.4411 -1.1623 179.5582 -179.1352 1.5641 178.1958 56.3869 -59.3885 56.7331 -65.0758 179.1488 -59.2206 178.9705 63.1951 -173.9096 63.7636 -52.5771 -52.3636 -174.6904 68.9689 63.4961 -58.8307 -175.1713 -178.3077 59.4161 -56.2992 -56.6022 -178.8784 65.4063 59.2102 -63.066 -178.7813 -177.3231 -57.7374 58.7861 -54.9556 64.63 -178.8465 61.5926 -178.8217 -62.2983 179.9879 -57.8339 57.8997 -57.6722 64.506 -179.7604 57.9421 -179.8798 -64.1462 -61.6541 55.2835 176.3194 177.0004 -66.062 54.9739 62.3849 179.3225 -59.6416 -59.7645 -179.9142 59.9429 178.2237 58.0741 -62.0689 62.1286 -58.021 -178.164 179.8248 -0.9436 1.7268 -179.0416 -178.8417 2.2222 -0.6901 -179.6262 -135.3672 43.6794 45.3797 -135.5737 178.8202 -0.2689 -0.2283 -179.3174 -179.2959 1.436 -0.2342 -179.5023 0.4955 -179.5175 179.5873 -0.4256 0.4315 -179.2674 179.6935 -0.0053 179.7648 -0.9553 -1.3132 177.9667 -0.2988 179.3216 179.7143 -0.6654 -0.165 -179.7851 179.5327 -DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0 1 6-311+G(d,p) (5D, 7F) 0.10000e-02 0.10000e-05 F 729 A 704 A 704 1115 729 100 100 2459.7590946431 48 48 48 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 -0.0560979484 PCM SMD-Coulomb. Total charges None Matrix inversion n-Octanol 9.862900 2.043470 0.000000 7.506545 0.000000 5.094016 2.553549 0.000000 5.967840 2.674411 2.275370 0.000000 3.872857 5.894386 3.649969 4.171635 0.000000 2.615560 6.550086 4.118817 4.772144 1.333596 0.000000 10.706162 4.763371 6.165994 5.217331 7.591869 8.769585 0.000000 11.578644 5.660626 6.986954 6.423070 8.300661 9.540398 1.530589 0.000000 9.935254 3.349616 5.114729 4.328429 7.202163 8.265426 1.530953 2.557667 0.000000 12.482081 7.065946 8.177456 7.486176 8.978352 10.270686 2.558261 1.530934 3.928012 0.000000 9.140492 2.847933 4.567116 3.238647 6.719111 7.652583 2.543605 3.915043 1.529741 5.098139 0.000000 13.459792 8.109095 9.161710 8.742449 9.893778 11.205177 3.930773 2.561833 5.118781 1.531698 6.435250 0.000000 8.645446 1.846617 3.998315 2.932471 6.820237 7.557212 3.929915 5.134361 2.578146 6.457240 1.527339 7.693695 0.000000 14.466809 9.492370 10.413496 9.880741 10.771459 12.101010 5.112393 3.927672 6.447542 2.554319 7.649896 1.530219 8.998222 0.000000 5.995764 1.760685 1.378089 1.201404 4.310237 4.912892 5.232172 6.260004 4.132768 7.468666 3.329026 8.599484 2.747561 9.847917 0.000000 3.966491 3.866421 1.384228 2.695218 2.379536 2.734647 6.876345 7.695613 6.043616 8.721819 5.449955 9.704217 5.096953 10.837736 2.359230 0.000000 4.420815 4.587310 2.440854 3.131535 1.336286 2.327345 6.539429 7.270262 6.004260 8.100402 5.555755 9.045551 5.589370 10.051018 3.079278 1.412643 0.000000 5.896709 4.381640 2.949440 3.257439 2.401825 3.652153 5.308260 5.921312 4.982664 6.672644 4.798189 7.587881 5.173235 8.573091 3.193524 2.546232 1.481160 0.000000 6.770998 3.913057 2.987578 3.735368 3.574933 4.736001 4.788085 5.149927 4.357815 6.051274 4.545860 6.814337 4.893217 7.938661 3.271817 3.115675 2.509020 1.401553 0.000000 6.650481 5.251095 4.151727 3.766258 2.918696 4.214487 5.067145 5.725136 5.115403 6.197416 4.910525 7.188396 5.619236 7.984353 4.068199 3.691229 2.491554 1.401146 2.419904 0.000000 2.723746 4.820392 2.370392 3.578745 2.757952 2.401476 8.191646 9.052591 7.306778 10.083959 6.593559 11.074260 6.066418 12.198196 3.354164 1.370702 2.406892 3.785916 4.431662 4.822438 0.000000 8.129979 4.451734 4.197480 4.563692 4.734210 5.979803 3.918814 3.990666 3.826361 4.781331 4.415482 5.449750 5.098917 6.568396 4.186557 4.468060 3.784272 2.421865 1.392663 2.789333 5.805127 0.000000 8.029823 5.654762 5.086301 4.581872 4.262865 5.577769 4.247408 4.703470 4.661513 4.961357 4.780293 5.908546 5.789235 6.623200 4.826936 4.883525 3.772036 2.420970 2.789048 1.391805 6.106022 2.413863 0.000000 8.687003 5.304169 5.108694 4.934554 5.014471 6.335871 3.589625 3.700397 3.997654 4.102133 4.534917 4.888960 5.546169 5.790604 4.880955 5.201357 4.279191 2.798192 2.415801 2.416269 6.522995 1.394050 1.395427 0.000000 1.751871 6.098243 3.615543 4.519453 2.286434 1.317430 9.011685 9.848431 8.295816 10.737695 7.588469 11.708117 7.231216 12.719822 4.521927 2.339476 2.670640 4.149118 5.045150 4.960988 1.396470 6.393915 6.327403 6.943614 0.000000 10.089612 4.896765 5.870550 4.811001 6.815876 8.025039 1.096661 2.154277 2.152687 2.771110 2.717089 4.195666 4.178327 5.206930 4.984334 6.381070 5.872294 4.598278 4.295195 4.150300 7.695594 3.462676 3.274233 2.847180 8.384363 0.000000 11.424692 5.392263 6.954246 5.739370 8.390813 9.537061 1.097724 2.161151 2.161225 2.798155 2.813982 4.234097 4.222139 5.249466 5.891280 7.671631 7.370228 6.195972 5.798906 5.842678 8.944341 4.982014 5.025167 4.538490 9.764432 1.756096 0.000000 11.024546 5.385197 6.469234 6.239477 7.721730 8.968560 2.154195 1.097488 2.767150 2.156875 4.158747 2.776685 5.228231 4.206037 5.935670 7.145518 6.690754 5.324465 4.394207 5.278486 8.510456 3.159865 4.300045 3.090057 9.288056 2.507536 3.062263 0.000000 12.277296 5.869473 7.490626 7.001626 9.153971 10.357593 2.160900 1.097955 2.798287 2.159672 4.245102 2.799969 5.291726 4.222756 6.739918 8.338534 8.052514 6.764114 5.886378 6.696791 9.675576 4.785132 5.745948 4.694501 10.568602 3.061953 2.510027 1.755698 0.000000 10.722835 3.655264 5.768599 5.101646 8.169612 9.189185 2.164224 2.836707 1.097710 4.260266 2.162243 5.307395 2.795589 6.690569 4.794868 6.831506 6.928737 5.968481 5.233399 6.189205 8.048329 4.691705 5.728851 4.968783 9.125091 3.061418 2.485148 3.157619 2.633489 0.000000 9.367048 2.940614 4.466158 4.152318 6.604074 7.678660 2.151905 2.736486 1.095422 4.169874 2.156405 5.172589 2.839637 6.568991 3.719871 5.410630 5.368378 4.329584 3.490623 4.678660 6.707848 2.982221 4.303615 3.469578 7.705561 2.530094 3.058590 2.491502 3.052253 1.758382 0.000000 13.123929 7.525262 8.807088 7.881671 9.679554 10.950872 2.797343 2.159587 4.231238 1.098076 5.260189 2.158779 6.661991 2.776987 7.966017 9.381003 8.801890 7.413233 6.891719 6.859544 10.724777 5.694195 5.651075 4.960341 11.396251 3.105612 2.588487 3.063004 2.505414 4.447888 4.717560 0.000000 11.941543 7.138850 7.940886 7.188408 8.320367 9.629395 2.770779 2.157632 4.194206 1.098257 5.166626 2.157438 6.590827 2.777364 7.278520 8.321449 7.558872 6.111905 5.661036 5.462774 9.669061 4.411560 4.152227 3.469282 10.201699 2.530529 3.101787 2.515775 3.063817 4.765306 4.364728 1.755471 0.000000 9.895901 3.776255 5.530553 3.931701 7.534620 8.443028 2.767761 4.226748 2.160057 5.240971 1.097478 6.655826 2.116230 7.767365 4.223574 6.357466 6.442962 5.701988 5.560797 5.634712 7.438780 5.356228 5.423399 5.282532 8.393156 3.008508 2.590352 4.715076 4.478934 2.521009 3.062640 5.172105 5.350568 0.000000 8.402519 3.062952 4.138316 2.581356 5.806259 6.770739 2.777893 4.172241 2.159996 5.187627 1.093495 6.563921 2.154314 7.682648 2.932214 4.790472 4.726723 3.961938 3.964393 3.937287 5.953543 3.951134 3.914777 3.924459 6.819359 2.498455 3.167681 4.304934 4.742451 3.066107 2.500883 5.428152 5.022861 1.755130 0.000000 14.065849 8.260027 9.552241 9.181866 10.618656 11.908041 4.223219 2.786642 5.249291 2.157685 6.650346 1.097233 7.808082 2.160194 8.958695 10.221882 9.684649 8.260645 7.382310 7.983500 11.589783 6.049342 6.766459 5.673858 12.320222 4.732219 4.433899 3.088821 2.575537 5.208468 5.348064 2.511226 3.061719 6.831031 6.948544 0.000000 12.969451 7.910600 8.760737 8.593523 9.395804 10.704907 4.205012 2.785993 5.219829 2.156790 6.576062 1.097369 7.747540 2.159956 8.353506 9.259314 8.570499 7.115857 6.249910 6.819752 10.620608 4.862488 5.574534 4.429587 11.224291 4.374889 4.750467 2.549639 3.123374 5.482955 5.040760 3.062016 2.506122 6.966012 6.635747 1.755426 0.000000 9.527700 2.351852 4.798343 3.981866 7.830087 8.550124 4.237624 5.298790 2.823312 6.684297 2.178988 7.839588 1.093219 9.193119 3.662680 6.002243 6.568025 6.128656 5.688835 6.614818 6.930812 5.783466 6.686061 6.291623 8.159089 4.728516 4.419104 5.462030 5.227731 2.596135 3.170675 6.822801 6.986221 2.503983 3.073367 7.800681 7.944519 0.000000 8.326536 2.403006 4.132367 2.688919 6.829134 7.432239 4.720299 6.043586 3.520777 7.276356 2.180838 8.588669 1.090683 9.828529 2.813107 5.104340 5.691046 5.489586 5.460539 5.880068 5.903011 5.828251 6.213378 6.192033 7.032555 4.831729 4.884489 6.187526 6.255562 3.785480 3.844430 7.408335 7.326740 2.434250 2.510507 8.749165 8.679795 1.767832 0.000000 14.035985 9.584261 10.264335 9.697428 10.261218 11.593455 5.263661 4.248615 6.652672 2.820393 7.737625 2.179175 9.135158 1.095552 9.742960 10.552942 9.653399 8.177762 7.676952 7.463147 11.891997 6.335204 6.075717 5.394314 12.303881 5.126304 5.459724 4.433777 4.781282 7.060358 6.731403 3.135623 2.596014 7.884624 7.614894 3.078290 2.524383 9.454298 9.907649 0.000000 15.204606 10.257049 11.154605 10.774269 11.501436 12.831685 6.043424 4.739653 7.294441 3.507935 8.572122 2.184121 9.865683 1.094677 10.667583 11.584926 10.793045 9.314301 8.598363 8.788744 12.944047 7.208904 7.435067 6.527250 13.459985 6.185132 6.231271 4.885045 4.908645 7.472246 7.331508 3.784115 3.783071 8.737069 8.634131 2.505193 2.504524 10.016736 10.739758 1.768271 0.000000 15.062476 9.877321 10.952949 10.226843 11.399701 12.720913 5.279133 4.249634 6.676715 2.821743 7.802155 2.179142 9.187726 1.095521 10.270880 11.413277 10.662231 9.198546 8.630741 8.547404 12.771576 7.292665 7.192802 6.462592 13.318672 5.437406 5.185589 4.766955 4.440826 6.848556 6.966733 2.597234 3.139906 7.765725 7.891734 2.524297 3.078121 9.333671 9.969775 1.767695 1.768191 0.000000 6.547439 3.619691 2.567271 3.936145 3.860371 4.825542 5.389647 5.694407 4.708094 6.742468 4.907408 7.420422 4.950665 8.637081 3.174255 2.907841 2.726877 2.158362 1.083139 3.403678 4.127874 2.147200 3.872149 3.395116 4.902532 5.066792 6.412469 4.879418 6.283526 5.433550 3.734628 7.598340 6.478945 5.982546 4.486669 7.876335 6.804454 5.644297 5.541412 8.462989 9.235358 9.352916 0.000000 6.314981 5.891760 4.607611 3.967555 2.702776 3.865950 5.818768 6.596392 5.899110 6.975356 5.481557 8.027002 6.153308 8.717671 4.506266 3.913509 2.688804 2.152258 3.400296 1.083500 4.831368 3.872813 2.152573 3.399802 4.737737 4.841543 6.474883 6.245100 7.586452 6.984349 5.576614 7.545829 6.171744 6.088873 4.428299 8.859784 7.721421 7.202169 6.238758 8.123810 9.555839 9.220493 4.297719 0.000000 2.909334 4.804371 2.620841 3.900507 3.839213 3.379967 8.675191 9.570486 7.643389 10.699730 6.867959 11.703094 6.109985 12.894517 3.555781 2.146134 3.402077 4.686394 5.165912 5.768614 1.081591 6.522222 7.005484 7.332084 2.181672 8.283752 9.391362 9.054626 10.101874 8.275790 7.070326 11.309679 10.367538 7.688033 6.358157 12.142890 11.271037 6.871483 5.873572 12.655325 13.640340 13.443655 4.717780 5.814295 0.000000 8.873295 4.585102 4.685716 5.256005 5.654888 6.848841 3.950001 3.691551 3.796085 4.590941 4.685457 5.041128 5.298782 6.276526 4.702730 5.157926 4.652969 3.401411 2.146086 3.873189 6.474917 1.083874 3.397974 2.153606 7.166627 3.768847 5.046907 2.696737 4.315756 4.465024 2.841852 5.568827 4.436036 5.636166 4.460595 5.505099 4.358267 5.804831 6.162890 6.191786 6.811867 7.052221 2.465856 4.956669 7.092656 0.000000 8.712144 6.525475 6.051091 5.278170 4.946755 6.219777 4.504031 4.957744 5.189279 4.911953 5.274071 5.884862 6.429484 6.374340 5.686196 5.789461 4.636985 3.401546 3.873323 2.146691 6.950594 3.397506 1.084310 2.154175 7.063142 3.445318 5.111185 4.728203 6.044729 6.249357 5.013590 5.481485 3.958766 5.737931 4.393062 6.825680 5.673497 7.320659 6.790436 5.707441 7.228938 6.861987 4.956438 2.475984 7.869918 4.295781 0.000000 9.769272 5.979161 6.084441 5.816790 6.072046 7.399113 3.335127 3.096404 4.087684 3.206024 4.874316 3.879327 6.037038 4.716789 5.767884 6.262354 5.363003 3.881995 3.397382 3.398153 7.594408 2.151946 2.153925 1.083819 8.026869 2.688198 4.225524 2.539630 4.124975 4.959610 3.688663 4.125040 2.533100 5.500344 4.409343 4.734188 3.436676 6.670517 6.756482 4.321216 5.450625 5.417960 4.288712 4.295358 8.382293 2.481801 2.482922 0.000000 C19H23ClN2O2S 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 0 0 0 0 0 0 0 0 0 355.7334999999997 AuxInfo=1/0/N:7;8;9;10;11;12;13;14;15;16;17;18;19;20;21;22;23;24;25;1;5;6;3;4;2;26;27;28;29;30;31;32;33;34;35;36;37;38;39;40;41;42;43;44;45;46;47;48/rA:48nCl0S0O0O0N0N0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:6.7584,-.7637,.092;.2756,2.9087,-.8223;2.1547,1.1811,-.8944;1.3783,1.5643,1.2098;3.1366,-2.1146,.3289;4.4625,-1.9822,.3833;-3.7851,.9759,.7475;-4.758,.3784,-.272;-2.7942,1.9667,.1309;-5.7207,-.6453,.3354;-1.7396,2.4374,1.1341;-6.6689,-1.2762,-.6889;-.7581,3.4777,.598;-7.6259,-2.2976,-.0705;1.3335,1.7889,.0304;2.9312,.1224,-.4557;2.3551,-1.1136,-.0868;.8968,-1.3711,-.1177;.1186,-.9814,-1.2163;.2875,-2.0317,.9573;4.2928,.2751,-.4184;-1.247,-1.2539,-1.2383;-1.0793,-2.2928,.934;-1.8493,-1.9064,-.1637;5.0102,-.8434,.011;-3.2243,.1637,1.2256;-4.3505,1.4724,1.5468;-4.1839,-.0994,-1.0761;-5.3344,1.1847,-.7444;-3.3367,2.8333,-.2687;-2.2974,1.4888,-.7203;-6.3109,-.1649,1.127;-5.1414,-1.439,.8259;-2.2353,2.898,1.9981;-1.1846,1.5768,1.5176;-7.2469,-.4841,-1.1813;-6.0772,-1.7593,-1.4767;-1.2806,4.3492,.1947;-.0721,3.8227,1.3727;-7.0752,-3.1183,.4021;-8.2902,-2.7334,-.8236;-8.2537,-1.8346,.6987;.5805,-.4799,-2.0579;.8863,-2.3264,1.8109;4.7673,1.2089,-.6882;-1.8388,-.9553,-2.0959;-1.5449,-2.7939,1.7754;-2.9142,-2.1074,-.1787; 0.3592834 0.0873289 0.0743048 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= 704 RedAO= T EigKep= 1.92D-06 NBF= 704 NBsUse= 701 1.00D-06 EigRej= 9.90D-07 NBFU= 701 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= 707 707 707 707 707 MxSgAt= 48 MxSgA2= 48. 1 Closed 1 1 1 -1856.59471448118 -1856.59471448107 0.000000000119 -1856.59471448 2 1.850599927990e+03 -9.281292620277e+03 3.114397662057e+03 Using DIIS extrapolation, IDIIS= 1040. NGot= 11324620800 LenX= 11323543994 LenY= 11323011824 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= 48. Will process 49 centers per pass. Symmetrizing basis deriv contribution to polar: IMax=3 JMax=2 DiffMx= 0.00D+00 Minotr: Closed shell wavefunction. IDoAtm=111111111111111111111111111111111111111111111111 NEqPCM: Using equilibrium solvation (IEInf=0, Eps= 9.8629, EpsInf= 2.0435) 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. 14921 words used for storage of precomputed grid. Two-electron integrals replicated using symmetry. MDV= 11324620800 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= 740000000 NMat= 144 IRICut= 360 DoRegI=T DoRafI=T ISym2E= 2 IDoP0=3 IntGTp=3. There are 147 degrees of freedom in the 1st order CPHF. IDoFFX=6 NUNeed= 3. 144 vectors produced by pass 0 Test12= 6.01D-14 1.00D-09 XBig12= 3.73D+02 9.75D+00. AX will form 144 AO Fock derivatives at one time. 144 vectors produced by pass 1 Test12= 6.01D-14 1.00D-09 XBig12= 5.64D+01 1.64D+00. 144 vectors produced by pass 2 Test12= 6.01D-14 1.00D-09 XBig12= 5.38D-01 7.47D-02. 144 vectors produced by pass 3 Test12= 6.01D-14 1.00D-09 XBig12= 5.37D-03 5.85D-03. 144 vectors produced by pass 4 Test12= 6.01D-14 1.00D-09 XBig12= 1.92D-05 3.77D-04. 121 vectors produced by pass 5 Test12= 6.01D-14 1.00D-09 XBig12= 4.69D-08 2.03D-05. 45 vectors produced by pass 6 Test12= 6.01D-14 1.00D-09 XBig12= 7.23D-11 5.79D-07. 3 vectors produced by pass 7 Test12= 6.01D-14 1.00D-09 XBig12= 9.55D-14 2.03D-08. 1 vectors produced by pass 8 Test12= 6.01D-14 1.00D-09 XBig12= 1.35D-16 1.16D-09. InvSVY: IOpt=1 It= 1 EMax= 3.55D-14 Solved reduced A of dimension 890 with 147 vectors. FullF1: Do perturbations 1 to 3. Isotropic polarizability for W= 0.000000 378.47 Bohr**3. End of Minotr F.D. properties file 721 does not exist. 489.451 0.231 337.652 5.958 -33.262 308.320 505.512 -4.398 378.500 10.693 -52.977 378.227 (Enter /usr/local/gaussian/gaussian16/g16/l716.exe) PT60786.800S 2023-04-27T17:12:35.000 -101.57372 -88.87714 -19.20873 -19.14683 -14.37204 -14.37178 -10.34987 -10.29185 -10.28580 -10.24970 -10.22497 -10.20755 -10.19948 -10.18492 -10.18349 -10.18105 -10.18008 -10.17974 -10.16692 -10.15668 -10.15624 -10.15383 -10.15371 -10.15347 -10.14980 -9.48834 -7.96370 -7.25302 -7.24325 -7.24263 -5.92747 -5.92310 -5.91827 -1.15077 -1.06835 -1.05076 -0.91056 -0.87684 -0.85416 -0.82953 -0.82229 -0.80158 -0.77680 -0.76243 -0.75621 -0.74499 -0.71162 -0.69084 -0.67958 -0.64219 -0.62275 -0.61345 -0.60367 -0.59009 -0.57400 -0.56929 -0.56577 -0.54008 -0.52364 -0.51051 -0.49909 -0.48193 -0.47859 -0.47548 -0.47289 -0.46072 -0.45801 -0.45097 -0.44716 -0.43589 -0.43202 -0.42829 -0.42482 -0.41954 -0.40704 -0.39449 -0.38984 -0.38067 -0.37279 -0.36947 -0.36766 -0.36251 -0.35926 -0.35347 -0.35207 -0.34157 -0.33583 -0.33397 -0.33057 -0.32095 -0.32063 -0.31780 -0.31525 -0.30778 -0.30372 -0.30136 -0.27277 -0.27082 -0.26216 -0.25655 -0.07764 -0.06536 -0.02977 -0.01874 -0.01149 -0.00153 0.00051 0.00463 0.01105 0.01316 0.01805 0.02080 0.02562 0.03153 0.03583 0.03714 0.04175 0.04739 0.04917 0.05136 0.05421 0.05715 0.06229 0.06661 0.06831 0.07097 0.07356 0.07629 0.08071 0.08263 0.08288 0.08686 0.09189 0.09316 0.09508 0.09753 0.10181 0.10574 0.10713 0.11053 0.11527 0.11766 0.11873 0.12195 0.12333 0.12437 0.12904 0.13098 0.13220 0.13745 0.13817 0.14373 0.14550 0.15026 0.15212 0.15681 0.15811 0.15935 0.16118 0.16415 0.16560 0.17007 0.17527 0.17610 0.17711 0.18121 0.18224 0.18507 0.18835 0.19088 0.19560 0.19617 0.19814 0.19927 0.20385 0.20508 0.20635 0.20859 0.21259 0.21456 0.21653 0.21817 0.21918 0.22198 0.22423 0.22712 0.22941 0.23206 0.23319 0.23684 0.23840 0.24031 0.24165 0.24434 0.24774 0.24966 0.25087 0.25501 0.25533 0.25634 0.25872 0.26258 0.26485 0.26618 0.27040 0.27138 0.27462 0.27673 0.28164 0.28431 0.28590 0.29110 0.29570 0.29586 0.29875 0.29961 0.30230 0.30892 0.31001 0.31180 0.31653 0.31874 0.32211 0.32643 0.32843 0.33394 0.33455 0.34094 0.34324 0.35028 0.35246 0.35345 0.35654 0.36003 0.36254 0.36857 0.37027 0.37128 0.37585 0.37837 0.38535 0.38954 0.39229 0.39936 0.40035 0.41324 0.41947 0.42672 0.43089 0.43363 0.44253 0.44674 0.44893 0.45476 0.46220 0.46394 0.46965 0.47554 0.48512 0.48920 0.50105 0.50269 0.50973 0.51302 0.52167 0.53551 0.54481 0.54595 0.54948 0.55331 0.55540 0.56266 0.56417 0.57425 0.57722 0.58096 0.58513 0.59267 0.60027 0.60374 0.60943 0.61238 0.62124 0.63026 0.63421 0.63912 0.64448 0.64766 0.65363 0.65457 0.65701 0.66108 0.66244 0.66912 0.67631 0.67745 0.68253 0.68613 0.69141 0.69632 0.69847 0.70427 0.70561 0.70861 0.71276 0.71411 0.72461 0.72602 0.73088 0.73610 0.74154 0.74675 0.75047 0.75210 0.75347 0.76144 0.76557 0.77372 0.77499 0.77866 0.78384 0.78569 0.79603 0.80247 0.80590 0.81079 0.81729 0.82303 0.82758 0.83068 0.83534 0.84370 0.84950 0.85108 0.85344 0.86073 0.86779 0.87294 0.87611 0.88128 0.88688 0.88882 0.89722 0.89964 0.90334 0.91259 0.91660 0.92341 0.92610 0.93450 0.93759 0.94693 0.95349 0.95921 0.96787 0.97043 0.98151 0.98781 0.99219 1.00003 1.00408 1.01675 1.01790 1.02982 1.03587 1.04310 1.04638 1.05251 1.05822 1.06618 1.07644 1.08295 1.08696 1.09789 1.10873 1.11637 1.12291 1.12617 1.12871 1.13971 1.16148 1.17019 1.17250 1.17432 1.19485 1.20705 1.21765 1.23226 1.24553 1.25454 1.25813 1.26278 1.27177 1.28024 1.30170 1.30563 1.31059 1.31374 1.33142 1.34238 1.34984 1.35356 1.36269 1.37529 1.39213 1.42114 1.43061 1.45100 1.47015 1.48066 1.48431 1.50114 1.50575 1.50723 1.51695 1.53112 1.53317 1.54066 1.54392 1.55339 1.56044 1.56484 1.57131 1.57558 1.58511 1.58880 1.59487 1.60165 1.60453 1.61051 1.61606 1.61931 1.62390 1.62435 1.63149 1.64027 1.64598 1.65168 1.65961 1.66773 1.67101 1.67468 1.68065 1.68969 1.69436 1.69676 1.70397 1.70819 1.72024 1.73150 1.73831 1.74515 1.75130 1.75978 1.76265 1.76876 1.77490 1.77849 1.78882 1.79175 1.79786 1.80383 1.81196 1.81559 1.81989 1.82243 1.83662 1.84345 1.85613 1.86197 1.86469 1.87578 1.88457 1.89791 1.90557 1.91392 1.92969 1.93125 1.93790 1.95290 1.95490 1.96709 1.97594 1.98243 1.98891 1.99245 1.99836 2.00301 2.01761 2.03442 2.04084 2.05215 2.06622 2.07115 2.07508 2.08061 2.09257 2.09907 2.10422 2.10972 2.13227 2.14235 2.15855 2.16576 2.17102 2.19113 2.20923 2.22916 2.23277 2.23911 2.25623 2.26434 2.26515 2.27803 2.28917 2.29244 2.31923 2.33422 2.34643 2.34875 2.35726 2.37167 2.38616 2.38977 2.40254 2.42650 2.43419 2.43669 2.44174 2.44428 2.45750 2.46700 2.47006 2.47930 2.49040 2.51145 2.51795 2.52730 2.53351 2.55112 2.56642 2.57136 2.57815 2.58568 2.58995 2.60735 2.61029 2.61898 2.63840 2.64257 2.64716 2.65060 2.65664 2.66302 2.67620 2.68023 2.68533 2.69252 2.69660 2.71886 2.72519 2.72874 2.73052 2.73634 2.74413 2.75318 2.75399 2.75869 2.77322 2.77973 2.79057 2.79738 2.81061 2.81876 2.82214 2.82415 2.82769 2.83768 2.84818 2.85040 2.87045 2.87818 2.88973 2.90040 2.90983 2.91549 2.93014 2.94045 2.94406 2.95540 2.95790 2.96397 2.96570 2.97400 2.98851 3.01273 3.01548 3.03124 3.04067 3.04209 3.04994 3.07166 3.09289 3.10441 3.12849 3.15104 3.17216 3.17993 3.19290 3.21034 3.22022 3.25696 3.27101 3.28393 3.30068 3.35115 3.36434 3.38596 3.41312 3.44289 3.45895 3.51889 3.52433 3.52862 3.57400 3.58384 3.59774 3.64616 3.69857 3.73284 3.77133 3.78532 3.80235 3.81856 3.81965 3.82153 3.83940 3.86222 3.86867 3.88452 3.89660 3.98856 4.01202 4.02341 4.03399 4.04456 4.06565 4.06964 4.08338 4.12408 4.15341 4.17382 4.19146 4.19585 4.28352 4.36209 4.41013 4.42250 4.56251 4.57755 4.84639 5.10650 5.14327 5.21390 5.33428 5.54797 5.63631 5.90322 7.98611 9.76984 17.36546 17.48384 17.52497 23.57237 23.71461 23.77917 23.84912 23.88501 23.88621 23.90429 23.90738 23.92021 23.92469 23.94018 23.94207 23.96647 23.98063 24.01426 24.07679 24.09865 24.10315 24.19177 25.80789 26.04301 26.55782 35.53405 35.59915 49.92343 49.97122 189.16510 215.76096 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 40 41 42 43 44 45 46 47 48 Cl S O O N N C C C C C C C C C C C C C C C C C C C H H H H H H H H H H H H H H H H H H H H H H H 0.539495 0.392020 -0.021837 -0.174032 -0.045083 0.029397 0.009959 -0.252881 -0.078236 -0.384431 -0.419623 -0.223243 -0.606899 -0.665500 -0.317234 0.076334 -0.799422 1.115628 -0.643031 -0.274818 0.450411 -0.451564 -0.511481 -0.026140 -0.390496 0.135315 0.144248 0.144580 0.141056 0.147298 0.134435 0.142537 0.143601 0.164275 0.168890 0.140546 0.136912 0.225629 0.231212 0.139451 0.145004 0.141110 0.171662 0.163585 0.201159 0.162513 0.161891 0.185795 -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 20 21 22 23 24 25 Cl S O O N N C C C C C C C C C C C C C C C C C C C 0.539495 0.392020 -0.021837 -0.174032 -0.045083 0.029397 0.289521 0.032754 0.203498 -0.098292 -0.086458 0.054216 -0.150058 -0.239935 -0.317234 0.076334 -0.799422 1.115628 -0.471369 -0.111233 0.651570 -0.289051 -0.349589 0.159655 -0.390496 0.00000 -2.14216116e+00 2.17171810e+00 -6.72500107e-01 4.89450673e+02 2.30773968e-01 3.37651508e+02 5.95828905e+00 -3.32618996e+01 3.08320217e+02 -5.0533 -3.2998 0.0004 0.0020 0.0022 2.8474 17.7637 19.7290 36.4570 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 50 51 52 53 54 55 56 57 58 59 60 61 62 63 64 65 66 67 68 69 70 71 72 73 74 75 76 77 78 79 80 81 82 83 84 85 86 87 88 89 90 91 92 93 94 95 96 97 98 99 100 101 102 103 104 105 106 107 108 109 110 111 112 113 114 115 116 117 118 119 120 121 122 123 124 125 126 127 128 129 130 131 132 133 134 135 136 137 138 A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A 17.4817 19.5898 36.3932 48.6277 53.4839 60.9578 62.7498 70.7501 83.8869 95.5631 109.8339 115.6217 128.8463 153.7739 168.3268 171.8777 182.5638 202.0487 225.3804 230.2722 255.1530 264.9536 274.6355 292.3509 305.3682 333.8328 383.4560 408.1182 415.2027 456.8746 470.1201 480.3072 486.4359 512.1572 534.7670 562.5048 599.5292 628.5091 632.4604 647.3922 654.8803 691.5014 713.0324 741.0488 745.8445 748.4819 763.0477 778.4946 796.2216 822.3896 850.8005 860.9782 863.3485 903.2546 926.0543 931.1501 934.5757 952.2899 977.5025 1000.4634 1013.4983 1013.7363 1019.5394 1021.7076 1030.5448 1046.6889 1050.3301 1058.1795 1059.7959 1069.7692 1074.2057 1106.6414 1113.5803 1131.2251 1135.6786 1154.1847 1185.9563 1206.9738 1209.2960 1222.9673 1227.1646 1256.8988 1269.2506 1282.6778 1299.1527 1309.2641 1312.1248 1323.8308 1328.9826 1337.7667 1340.0191 1345.8470 1358.2903 1366.4669 1387.3257 1402.5390 1406.9025 1410.1981 1419.1142 1449.8746 1472.0326 1472.9923 1474.4389 1476.2827 1482.9495 1485.5915 1490.2460 1497.7666 1502.7725 1524.5848 1550.7530 1606.7859 1617.3111 1640.0820 1735.9662 2989.7669 2993.7047 2999.3449 3000.8648 3002.5790 3008.0631 3009.4379 3012.6875 3020.4474 3031.6447 3040.6437 3051.5389 3059.8272 3069.2672 3072.7801 3077.2523 3117.2471 3170.3549 3177.5109 3188.0578 3193.8332 3198.4964 3222.3556 4.9710 5.2658 6.4919 4.7298 5.1768 2.1147 5.5584 3.3701 3.6248 7.5733 5.3554 2.6430 3.0378 3.4099 2.0080 3.3828 3.7899 6.9960 3.6214 3.8936 1.1265 6.6308 5.8879 6.3138 6.6163 2.6916 3.4559 7.5700 2.9085 6.4080 7.5209 3.0052 5.1823 3.9667 5.7915 4.5965 8.0313 6.1984 5.4528 7.9640 11.7481 8.4403 1.7573 1.0778 6.3243 1.1186 2.8665 1.2120 3.4807 1.5436 2.6002 1.5816 1.2621 1.9603 2.1162 1.4793 4.9545 1.4053 2.2274 1.3732 5.8128 2.6739 1.3177 7.6090 1.6429 2.8439 4.3791 2.2136 2.6268 2.2108 2.2811 1.8091 1.7990 1.6623 1.8429 8.0660 1.1073 1.5774 1.1737 1.3044 6.9667 1.3276 1.2914 2.6151 1.2521 1.2893 4.3584 1.1656 1.0533 1.1464 1.1403 5.2414 1.2631 1.6414 1.4330 1.5793 1.2626 1.5898 4.5894 1.0887 1.1425 1.9734 1.0741 1.0778 1.0769 1.0397 1.0859 1.0935 1.0981 2.4521 6.7969 8.2664 5.6541 5.4538 12.7198 1.0577 1.0587 1.0610 1.0609 1.0690 1.0957 1.0363 1.0696 1.0966 1.0985 1.1009 1.0987 1.0656 1.1029 1.1014 1.0932 1.1060 1.0867 1.0890 1.0923 1.0946 1.0979 1.0962 0.0009 0.0012 0.0051 0.0066 0.0087 0.0046 0.0129 0.0099 0.0150 0.0407 0.0381 0.0208 0.0297 0.0475 0.0335 0.0589 0.0744 0.1683 0.1084 0.1216 0.0432 0.2743 0.2617 0.3179 0.3635 0.1767 0.2994 0.7429 0.2954 0.7881 0.9794 0.4085 0.7225 0.6130 0.9758 0.8569 1.7008 1.4426 1.2851 1.9666 2.9685 2.3779 0.5264 0.3487 2.0728 0.3692 0.9833 0.4328 1.3001 0.6151 1.1089 0.6908 0.5542 0.9423 1.0692 0.7557 2.5496 0.7509 1.2540 0.8098 3.5179 1.6190 0.8070 4.6798 1.0280 1.8357 2.8463 1.4604 1.7383 1.4906 1.5508 1.3054 1.3144 1.2533 1.4004 6.3308 0.9176 1.3539 1.0113 1.1494 6.1813 1.2357 1.2257 2.5349 1.2452 1.3022 4.4211 1.2035 1.0961 1.2088 1.2064 5.5936 1.3730 1.8058 1.6249 1.8304 1.4725 1.8628 5.4456 1.3484 1.4586 2.5227 1.3757 1.3839 1.3953 1.3520 1.4208 1.4453 1.4611 3.3581 9.6305 12.5743 8.7136 8.6434 22.5847 5.5704 5.5904 5.6234 5.6287 5.6781 5.8415 5.5297 5.7198 5.8947 5.9487 5.9967 6.0277 5.8782 6.1212 6.1274 6.0992 6.3322 6.4356 6.4781 6.5410 6.5785 6.6179 6.7066 0.1537 0.0325 0.1591 0.1265 1.9179 0.9383 0.8071 0.4732 2.5586 1.1373 1.7276 0.4082 0.2493 2.0358 0.3955 3.2693 0.1267 0.9950 6.2376 1.9881 0.0597 1.3203 7.3907 3.9917 1.9291 4.0618 1.0374 0.5390 1.4373 1.2350 8.8534 0.0466 5.7775 18.9292 8.3339 28.5465 2.1004 5.4147 7.4731 3.1408 42.3280 28.1828 84.3149 15.6278 21.1409 2.8199 49.4168 15.5681 29.9083 5.6114 3.3708 2.8123 1.4516 2.1610 36.6930 6.5233 41.0782 6.0483 0.9647 1.6640 5.9068 12.3473 1.2069 83.2318 48.3722 188.5300 1159.6956 54.6949 15.8954 11.7142 18.9113 41.8371 58.6077 5.1973 4.0508 141.1734 0.0749 0.6160 3.4921 2.4339 53.6568 0.1961 1.6073 0.6089 1.7021 3.2305 19.8767 4.1040 1.0934 3.3845 3.1313 35.1870 0.4703 12.6649 0.3487 1.7255 3.0713 2.3070 384.8429 13.6515 2.9029 15.9925 1.3920 1.5863 1.8943 10.9426 5.1939 0.9872 27.7163 1.0779 45.6840 60.5603 11.9518 9.9741 491.6471 9.2235 2.4741 2.8175 53.4980 193.5118 14.8219 44.6225 31.7131 23.9567 17.9321 79.8785 187.7191 8.0097 128.7603 73.0319 83.7660 7.7077 1.8642 6.2525 11.4158 11.1272 7.8374 8.1153 -0.05 -0.05 0.10 0.02 0.04 -0.03 -0.01 0.01 -0.01 -0.00 0.04 -0.01 -0.07 -0.01 -0.01 -0.08 -0.03 0.02 0.06 0.03 0.03 0.05 0.01 0.06 0.02 0.06 0.01 0.13 -0.05 0.07 0.03 0.09 -0.00 0.13 -0.09 0.10 0.03 0.07 -0.03 0.22 -0.17 0.11 0.00 0.03 -0.02 -0.03 -0.00 0.00 -0.05 0.00 -0.02 -0.05 0.01 -0.06 -0.03 0.04 -0.07 -0.08 -0.01 -0.09 -0.03 -0.02 0.04 -0.03 0.05 -0.11 -0.08 -0.01 -0.13 -0.05 0.02 -0.14 -0.05 -0.03 0.05 0.10 0.04 0.01 0.08 0.01 0.06 0.04 0.06 0.02 -0.01 -0.00 0.10 -0.01 0.05 0.02 0.02 0.07 0.00 0.12 -0.10 0.10 0.19 -0.02 0.04 0.03 0.11 -0.01 0.03 0.10 0.01 0.06 -0.12 0.13 0.14 -0.04 0.07 0.03 0.06 -0.05 0.03 0.09 -0.04 0.30 -0.14 0.08 0.23 -0.20 0.13 0.22 -0.23 0.14 -0.01 0.06 -0.05 -0.10 -0.03 -0.09 -0.01 -0.02 0.06 -0.01 0.07 -0.12 -0.10 -0.03 -0.15 -0.05 0.02 -0.17 0.03 0.06 0.14 -0.01 -0.04 -0.03 0.04 0.00 -0.02 0.01 -0.01 -0.02 0.04 0.00 -0.03 0.03 0.02 0.03 0.00 -0.06 0.02 -0.06 -0.02 0.05 -0.01 -0.06 -0.00 -0.07 0.01 0.09 0.01 -0.06 -0.02 -0.17 0.08 0.13 -0.01 -0.05 -0.03 -0.19 0.13 0.18 0.01 -0.01 -0.02 0.04 0.01 -0.01 0.04 -0.00 -0.04 0.04 -0.01 -0.09 0.07 -0.00 -0.10 0.01 -0.02 -0.11 0.03 0.02 0.05 0.07 -0.00 -0.14 0.01 -0.02 -0.15 0.04 -0.01 -0.16 0.03 0.03 0.06 0.01 -0.08 -0.03 0.05 -0.07 0.05 -0.11 -0.03 0.02 -0.05 0.01 0.09 -0.02 -0.06 0.01 -0.03 -0.06 -0.01 0.00 0.02 0.13 -0.08 -0.03 0.03 0.02 -0.07 -0.01 0.02 -0.06 -0.03 -0.15 0.12 0.18 -0.24 0.06 0.09 -0.03 -0.06 -0.03 -0.01 -0.04 -0.04 -0.21 0.09 0.13 -0.26 0.18 0.21 -0.11 0.15 0.22 0.09 0.00 -0.09 -0.01 -0.03 -0.10 0.03 0.03 0.08 0.09 0.01 -0.15 -0.01 -0.03 -0.16 0.04 -0.01 -0.19 -0.05 0.16 0.09 0.02 0.06 -0.01 -0.11 -0.07 -0.06 -0.00 -0.01 -0.04 0.01 -0.04 -0.06 0.01 0.02 -0.03 0.08 0.03 0.02 0.09 0.03 0.01 0.07 0.05 0.02 0.06 0.06 -0.00 0.05 0.08 0.03 0.06 0.08 -0.02 0.05 0.07 0.01 0.01 0.13 -0.03 -0.03 -0.01 -0.04 -0.07 -0.05 -0.05 -0.03 -0.07 -0.05 -0.02 -0.12 -0.03 -0.09 -0.07 0.04 0.05 -0.23 -0.05 -0.08 0.02 -0.02 -0.08 -0.11 0.09 0.06 -0.27 0.00 -0.01 -0.20 0.07 -0.04 0.05 0.00 0.09 0.03 0.01 0.08 0.02 0.02 0.10 0.01 0.02 0.12 0.04 -0.02 0.06 0.03 0.01 0.09 0.05 0.03 0.05 0.09 -0.02 0.03 0.05 0.02 0.04 0.10 0.01 0.05 0.09 0.05 0.11 0.10 -0.05 0.07 0.04 0.01 0.06 0.08 0.02 0.07 0.06 -0.00 -0.04 0.12 0.00 0.01 0.14 -0.04 -0.00 0.17 -0.06 -0.15 -0.00 0.05 0.10 -0.27 -0.10 -0.12 0.04 -0.00 -0.13 -0.06 0.14 0.11 -0.34 -0.01 -0.01 -0.23 0.11 -0.02 0.07 0.07 -0.05 -0.05 -0.01 -0.05 -0.06 -0.12 0.09 -0.02 -0.08 -0.01 0.01 0.03 -0.01 0.03 0.05 0.01 -0.01 0.12 0.00 0.05 0.09 0.02 -0.01 0.13 0.00 0.00 0.02 0.07 -0.06 0.10 0.04 0.06 -0.05 0.06 -0.06 0.07 0.05 -0.01 -0.15 0.02 -0.04 -0.08 -0.02 -0.04 -0.09 -0.01 -0.02 -0.04 -0.01 -0.01 -0.03 0.02 -0.13 -0.09 -0.04 0.14 0.05 -0.02 -0.01 -0.08 0.01 -0.09 -0.07 -0.05 0.18 0.06 -0.02 0.06 0.00 -0.02 0.02 0.00 -0.00 -0.03 0.09 0.02 -0.02 0.14 0.01 0.10 0.07 0.00 0.07 0.14 0.03 0.01 0.18 -0.02 0.00 0.10 -0.02 -0.05 0.04 0.00 -0.02 -0.02 0.12 -0.07 0.14 0.08 -0.08 0.05 0.03 0.09 0.00 0.06 0.14 -0.08 0.05 -0.04 0.13 0.12 -0.10 0.03 0.06 -0.04 -0.21 0.08 0.03 -0.20 0.02 -0.09 -0.13 0.04 -0.23 -0.14 -0.06 0.23 0.09 -0.03 -0.02 -0.11 0.03 -0.18 -0.12 -0.07 0.30 0.12 -0.03 0.09 0.02 0.04 0.04 0.09 -0.03 -0.09 -0.03 0.03 -0.02 0.01 -0.05 -0.09 -0.01 0.06 -0.07 -0.15 0.06 -0.05 -0.12 -0.13 0.13 0.01 -0.13 0.13 0.02 -0.11 0.12 0.01 -0.07 0.07 0.01 -0.05 0.04 -0.02 -0.03 0.01 0.01 -0.00 -0.02 -0.04 0.11 -0.13 -0.02 -0.02 -0.07 -0.01 0.04 -0.03 -0.01 0.05 -0.05 -0.08 0.05 -0.04 -0.05 -0.00 0.04 0.02 0.08 -0.06 -0.04 0.03 -0.00 0.04 -0.02 0.12 0.10 0.07 0.01 0.04 0.01 0.11 0.11 0.04 -0.01 -0.01 -0.13 0.13 0.01 -0.12 0.14 0.01 -0.13 0.17 -0.01 -0.17 0.12 0.05 -0.09 0.15 0.05 -0.16 0.12 -0.03 -0.10 0.02 0.02 -0.02 0.10 -0.00 -0.00 0.06 0.00 -0.10 -0.00 -0.04 -0.13 -0.03 0.06 0.00 0.12 -0.03 0.05 0.00 -0.05 0.02 -0.05 -0.04 0.22 -0.09 -0.08 0.13 -0.16 -0.02 0.08 -0.24 0.03 -0.03 0.06 0.01 0.12 -0.13 -0.09 0.02 0.02 0.10 -0.06 0.19 0.15 0.09 0.00 0.05 -0.00 0.18 0.17 0.01 -0.02 -0.04 -0.02 -0.02 -0.03 0.01 0.00 0.00 0.03 0.06 0.00 0.00 0.02 0.07 0.00 0.02 0.06 0.01 -0.02 0.02 -0.05 0.06 0.03 -0.03 0.02 0.02 0.03 -0.04 -0.01 0.01 0.01 -0.00 -0.10 0.13 0.00 -0.01 0.01 -0.03 0.05 -0.05 -0.07 0.01 0.02 -0.01 0.00 0.01 0.02 -0.00 0.01 0.05 0.00 0.00 0.03 0.01 0.02 0.04 0.00 -0.05 0.00 0.00 -0.00 -0.00 0.01 -0.01 0.01 0.01 -0.08 -0.03 0.01 -0.06 -0.02 0.00 0.00 0.01 0.05 -0.05 -0.07 0.06 -0.08 0.09 -0.09 0.15 -0.06 -0.10 0.09 0.16 -0.06 0.03 0.08 -0.05 0.07 -0.02 0.12 -0.16 0.14 0.09 -0.11 -0.20 0.04 0.00 0.02 0.01 0.00 -0.03 -0.21 0.20 0.26 -0.19 0.32 -0.19 -0.01 -0.00 -0.04 0.00 0.02 -0.05 0.17 -0.13 -0.35 -0.06 0.09 -0.06 0.16 -0.25 0.14 0.01 0.05 0.06 -0.00 -0.07 0.00 0.01 -0.01 -0.03 0.02 0.01 0.01 0.01 -0.13 -0.05 0.02 -0.09 -0.05 -0.02 -0.06 0.09 -0.04 -0.04 -0.07 0.05 0.05 -0.06 0.18 0.19 -0.04 -0.05 0.02 -0.06 -0.05 -0.02 -0.03 0.02 -0.09 0.07 0.03 -0.09 0.06 0.00 -0.08 0.06 -0.02 -0.06 0.02 0.06 -0.10 0.01 0.03 -0.05 -0.04 -0.00 -0.06 -0.03 -0.08 0.03 -0.10 0.09 0.09 -0.06 0.02 0.03 -0.04 -0.02 0.05 -0.04 -0.03 0.08 -0.00 -0.09 0.18 0.08 0.03 -0.04 -0.04 0.03 -0.00 -0.01 -0.09 0.17 0.12 0.04 -0.06 0.00 -0.02 0.04 0.08 -0.01 -0.02 0.00 0.03 -0.09 0.06 0.02 -0.10 0.08 0.04 -0.10 0.08 0.06 -0.07 0.03 -0.02 -0.07 0.12 -0.04 -0.05 0.02 -0.07 -0.03 -0.03 -0.07 -0.06 0.07 0.11 -0.14 0.06 0.10 -0.10 -0.06 0.12 -0.04 -0.13 0.08 -0.11 0.03 -0.06 -0.08 -0.01 0.02 -0.03 -0.06 -0.18 0.02 -0.00 -0.03 0.03 -0.15 -0.14 0.10 -0.18 -0.15 0.27 0.10 0.08 -0.12 -0.10 0.06 -0.02 -0.00 -0.14 0.25 0.19 0.09 -0.16 -0.03 -0.02 0.02 0.12 -0.02 0.01 0.07 0.07 0.10 0.05 -0.01 0.01 -0.04 0.03 -0.03 -0.02 -0.02 -0.01 -0.07 -0.02 -0.01 -0.05 0.03 -0.05 -0.11 -0.00 -0.03 -0.09 0.05 -0.06 -0.09 0.05 -0.06 -0.06 0.03 -0.10 -0.04 -0.12 0.05 0.03 0.02 -0.04 0.06 0.03 -0.06 0.09 0.03 0.01 -0.01 -0.01 -0.00 -0.05 -0.02 0.00 -0.05 -0.02 0.02 -0.01 -0.05 -0.00 0.01 0.01 0.05 0.03 -0.01 -0.00 -0.03 -0.05 0.00 0.06 0.01 0.06 0.08 -0.02 0.03 0.09 -0.02 -0.00 -0.02 0.01 -0.06 -0.12 0.04 -0.05 -0.10 -0.04 0.00 -0.14 -0.04 -0.02 -0.04 0.07 -0.04 -0.08 0.06 -0.05 -0.09 0.17 -0.11 0.07 0.10 -0.11 -0.21 0.00 -0.18 -0.02 0.04 -0.12 -0.10 -0.23 0.10 0.24 -0.26 0.17 -0.14 0.01 -0.02 0.12 -0.01 -0.08 0.11 0.14 -0.11 -0.15 -0.13 0.04 0.16 0.18 -0.18 0.29 -0.07 -0.02 -0.02 0.03 0.08 0.02 -0.01 -0.00 -0.01 -0.08 -0.02 0.07 0.03 0.09 0.11 -0.02 0.03 0.12 -0.00 0.02 -0.02 0.03 0.03 0.04 -0.00 -0.02 -0.07 0.11 0.00 -0.03 -0.01 0.05 0.13 -0.01 0.06 0.13 -0.08 0.07 -0.06 -0.10 0.09 -0.06 -0.03 0.04 -0.02 -0.11 0.12 -0.01 0.03 -0.13 -0.01 -0.00 -0.07 0.00 0.05 -0.09 0.10 0.05 -0.07 0.08 0.06 0.00 -0.03 -0.00 -0.02 -0.05 -0.01 0.01 0.03 -0.00 -0.01 0.01 -0.00 0.03 0.02 -0.01 -0.07 -0.03 -0.00 -0.02 -0.08 0.00 0.02 -0.00 -0.01 -0.08 -0.05 -0.00 -0.03 -0.04 -0.00 0.02 0.01 -0.11 0.04 -0.06 -0.07 0.08 -0.06 -0.11 0.06 -0.04 -0.08 0.09 -0.07 0.02 0.12 0.07 -0.09 0.07 -0.08 -0.19 0.19 -0.11 -0.10 0.21 0.12 0.08 -0.23 0.08 0.02 -0.20 -0.15 -0.03 -0.17 -0.13 0.08 -0.12 0.10 0.06 -0.03 0.20 0.06 -0.19 0.13 0.09 0.04 0.22 0.14 -0.23 0.09 -0.04 -0.02 -0.02 -0.00 0.06 0.04 -0.02 -0.10 -0.03 -0.00 -0.04 -0.15 0.01 0.06 0.00 -0.01 -0.13 -0.08 -0.00 -0.04 -0.06 -0.01 -0.01 0.01 -0.02 -0.01 0.03 -0.04 -0.01 0.08 0.26 0.35 0.13 0.01 -0.08 -0.17 0.01 -0.08 -0.18 -0.06 0.05 -0.04 -0.07 0.06 -0.04 -0.02 0.02 -0.03 -0.09 0.09 -0.01 -0.03 0.01 -0.02 -0.03 -0.02 -0.00 -0.04 0.02 -0.01 0.03 -0.06 0.03 0.09 0.14 0.09 -0.02 0.00 0.07 -0.00 -0.03 -0.03 -0.00 -0.03 -0.01 0.01 -0.16 -0.06 0.00 0.06 0.04 -0.02 0.02 0.11 0.02 -0.23 -0.07 0.01 0.01 0.04 0.02 -0.14 -0.02 -0.01 -0.02 -0.01 -0.09 0.04 -0.03 -0.05 0.07 -0.05 -0.08 0.03 -0.02 -0.05 0.06 -0.05 0.00 0.03 -0.05 -0.02 -0.00 -0.02 -0.13 0.13 -0.07 -0.09 0.13 0.07 -0.04 -0.02 -0.01 -0.02 0.01 -0.03 -0.07 -0.08 -0.05 0.02 -0.01 0.03 -0.05 0.01 -0.03 -0.06 0.05 -0.00 0.09 0.01 0.07 0.08 -0.14 0.04 -0.01 -0.07 -0.00 0.02 -0.21 -0.09 -0.00 0.16 0.08 -0.03 0.05 0.21 0.03 -0.34 -0.12 0.01 0.08 0.09 0.03 -0.19 -0.03 -0.01 0.11 -0.06 -0.04 -0.10 0.02 -0.08 -0.12 0.02 0.15 0.11 0.07 0.04 -0.07 0.05 0.04 -0.01 0.03 0.01 0.00 -0.07 0.07 -0.04 -0.10 -0.02 0.06 -0.01 0.14 -0.10 -0.09 -0.02 0.02 0.01 0.01 -0.03 -0.01 0.02 -0.02 0.02 -0.03 0.07 0.09 0.03 -0.02 0.05 -0.04 -0.08 0.03 0.00 -0.10 0.03 -0.00 -0.09 0.00 0.03 0.01 0.01 -0.06 -0.09 -0.03 -0.05 -0.02 0.02 0.00 0.17 0.01 -0.09 0.06 -0.03 -0.06 0.20 -0.01 -0.01 0.01 0.01 0.04 0.03 -0.07 -0.04 -0.05 -0.08 0.10 0.01 -0.11 0.02 -0.07 -0.08 -0.04 0.08 0.05 -0.01 0.13 -0.05 0.22 -0.15 0.01 0.19 -0.13 -0.21 -0.01 0.01 0.02 -0.04 -0.01 -0.00 0.04 0.02 0.03 -0.10 -0.09 -0.06 0.06 0.01 0.02 0.04 -0.05 0.01 -0.06 0.03 0.06 -0.14 0.12 0.16 0.09 0.15 0.14 0.08 -0.02 0.02 -0.09 -0.18 -0.04 -0.10 -0.01 0.01 0.03 0.27 0.02 -0.14 0.08 -0.05 -0.08 0.33 0.00 0.00 -0.05 0.03 -0.04 -0.03 0.01 0.03 0.04 -0.02 -0.00 -0.02 -0.02 -0.02 0.03 -0.01 -0.02 0.01 -0.01 0.00 0.00 -0.04 0.00 0.03 -0.05 -0.13 0.18 0.04 0.11 -0.08 -0.06 -0.03 0.01 0.02 0.04 -0.05 -0.02 0.01 -0.01 0.05 -0.04 0.07 0.07 -0.00 -0.00 -0.01 0.02 0.03 -0.03 0.00 0.04 -0.02 0.00 0.04 0.00 -0.01 -0.01 -0.01 0.03 0.05 0.02 0.02 0.00 -0.03 0.00 -0.07 -0.00 0.04 -0.01 0.02 0.03 -0.08 0.01 0.00 -0.01 -0.01 0.11 -0.00 -0.18 -0.00 -0.16 0.06 -0.01 0.13 -0.12 -0.08 0.02 0.04 -0.21 0.24 0.29 -0.21 0.38 -0.12 0.15 -0.16 0.02 0.18 -0.09 -0.17 0.06 -0.05 0.10 -0.06 -0.07 -0.11 0.09 -0.03 -0.04 -0.02 -0.14 -0.01 0.06 0.04 0.10 0.05 -0.09 0.05 -0.11 0.07 0.13 -0.08 0.07 0.11 0.00 0.19 0.03 -0.03 -0.01 -0.02 0.04 0.10 0.03 0.04 -0.01 -0.03 -0.01 -0.12 -0.01 0.06 -0.01 0.03 0.04 -0.14 0.00 0.00 0.03 -0.02 0.11 0.11 -0.02 -0.02 -0.04 0.02 -0.03 0.02 -0.00 0.02 -0.04 -0.01 0.02 -0.03 -0.02 0.03 -0.06 0.03 -0.10 0.03 0.10 -0.09 0.06 -0.00 -0.02 -0.07 0.06 0.05 -0.06 -0.09 0.03 -0.06 0.01 -0.01 0.01 -0.06 -0.08 -0.01 -0.08 0.01 0.02 -0.00 -0.01 -0.03 0.04 0.00 -0.05 0.02 0.00 -0.05 0.01 0.02 -0.03 0.00 -0.02 -0.02 0.01 -0.02 -0.01 0.05 0.01 0.02 0.00 -0.03 0.03 0.01 -0.01 0.05 0.01 0.00 -0.01 0.01 0.13 -0.09 -0.15 0.13 -0.17 0.17 -0.18 0.14 -0.03 -0.17 0.07 0.26 -0.18 0.10 0.22 -0.22 0.19 -0.15 -0.05 -0.15 0.09 0.03 -0.06 0.01 0.16 -0.17 0.03 0.09 -0.11 -0.26 0.11 -0.04 -0.06 0.08 -0.09 0.06 -0.05 -0.02 -0.07 -0.06 0.05 -0.03 -0.17 -0.00 0.03 0.01 -0.02 -0.15 -0.17 0.04 -0.18 0.04 -0.06 0.00 -0.03 -0.03 0.02 -0.04 0.01 0.07 0.03 0.03 -0.00 -0.05 0.05 0.01 -0.02 0.09 0.01 -0.01 0.02 -0.03 -0.06 -0.05 -0.06 0.00 0.01 0.04 -0.11 0.00 -0.01 -0.01 -0.02 -0.04 -0.00 -0.02 -0.07 0.14 -0.13 -0.05 0.03 0.07 -0.05 0.06 -0.02 0.03 -0.02 0.13 -0.04 0.11 -0.13 0.02 0.02 0.04 -0.02 0.03 -0.07 0.01 0.10 0.02 0.06 -0.06 -0.01 -0.02 -0.01 0.02 0.08 -0.01 0.01 0.03 -0.02 0.02 0.04 -0.00 0.02 0.03 -0.03 0.02 0.03 -0.02 0.04 0.13 -0.00 0.01 0.01 -0.03 0.01 0.01 -0.01 0.00 -0.01 -0.01 0.01 0.03 0.18 -0.21 -0.25 0.22 -0.27 0.10 -0.06 0.06 -0.12 0.09 0.16 0.04 0.00 0.02 0.20 0.01 0.12 -0.08 -0.05 0.20 -0.11 -0.06 0.16 0.05 0.16 -0.22 0.10 0.15 -0.16 -0.11 -0.02 -0.03 -0.07 0.05 0.02 0.01 -0.03 -0.07 0.07 0.08 -0.07 -0.04 0.17 0.11 0.14 0.13 -0.10 0.11 0.06 0.04 0.02 0.01 0.03 0.04 -0.04 0.03 0.04 -0.03 0.06 0.19 0.01 0.01 -0.00 -0.04 0.01 0.00 -0.01 -0.02 -0.03 -0.00 0.02 0.01 -0.00 -0.04 0.01 0.01 0.01 0.01 0.01 -0.02 0.02 -0.01 0.01 -0.01 -0.00 0.00 -0.02 0.01 -0.00 -0.02 -0.13 0.15 0.02 0.09 -0.10 -0.04 0.05 -0.04 -0.02 -0.01 0.01 0.01 0.05 -0.04 -0.02 -0.00 -0.00 -0.01 -0.01 0.04 0.01 0.00 -0.01 0.02 0.00 0.00 -0.01 -0.01 0.01 0.01 -0.01 0.03 0.02 -0.01 0.03 0.02 -0.01 0.01 0.02 0.00 -0.01 -0.05 -0.00 0.00 0.01 -0.01 -0.01 0.00 -0.00 -0.02 -0.01 -0.00 -0.01 -0.03 -0.04 -0.09 -0.09 0.13 0.02 0.04 -0.24 0.36 -0.18 -0.26 0.22 0.30 0.15 -0.14 -0.21 0.17 -0.22 0.07 0.06 -0.21 0.09 0.20 -0.03 -0.17 -0.10 0.08 -0.08 -0.01 0.07 0.13 0.09 -0.04 -0.06 0.05 -0.10 0.02 -0.01 -0.01 -0.04 -0.01 0.03 -0.01 -0.07 0.09 0.17 0.05 -0.05 0.00 -0.08 0.13 -0.10 -0.01 0.04 0.03 -0.02 0.01 0.02 0.01 -0.02 -0.07 0.00 -0.00 0.00 -0.01 -0.02 -0.01 -0.00 -0.04 -0.02 0.01 -0.05 -0.05 -0.03 0.05 -0.04 -0.01 -0.00 -0.02 -0.06 0.04 -0.06 0.00 0.00 -0.00 -0.00 0.01 0.03 -0.12 0.14 0.04 -0.02 0.05 0.01 0.05 -0.05 0.01 0.09 -0.08 -0.03 0.06 -0.10 0.02 0.04 -0.02 -0.01 0.03 -0.06 0.05 -0.01 0.04 0.02 -0.03 0.03 -0.07 -0.00 0.03 0.06 0.01 -0.00 -0.02 0.01 -0.04 -0.06 -0.00 -0.05 -0.05 0.04 -0.04 -0.04 -0.01 0.07 0.20 -0.01 -0.02 0.00 0.03 -0.00 0.01 0.00 0.02 0.04 -0.00 0.04 0.11 -0.25 0.18 0.25 -0.19 0.32 -0.12 0.05 0.12 0.02 -0.11 -0.02 0.00 0.19 -0.01 -0.11 0.04 -0.20 0.09 0.13 -0.20 0.07 0.18 -0.09 -0.16 0.07 -0.14 0.05 0.06 -0.12 -0.03 0.07 0.02 0.02 -0.02 -0.05 -0.03 0.00 -0.03 0.15 0.07 -0.12 0.04 -0.06 0.00 -0.00 -0.07 0.09 0.04 0.04 0.09 0.04 -0.02 -0.06 -0.06 0.06 -0.04 -0.06 -0.02 0.10 0.29 -0.03 -0.02 0.02 0.05 0.01 0.03 -0.00 0.06 0.08 0.01 -0.08 -0.03 -0.03 0.02 0.03 -0.04 -0.02 -0.03 0.04 0.02 0.00 0.01 0.03 0.05 -0.01 0.06 0.14 0.10 -0.14 -0.04 -0.04 0.04 -0.01 0.01 -0.02 0.01 -0.05 0.04 -0.02 -0.07 0.09 0.03 -0.02 -0.01 -0.02 -0.05 0.07 0.01 0.01 -0.02 0.02 -0.01 0.01 0.00 -0.00 0.00 -0.03 0.02 -0.02 -0.10 0.04 -0.07 -0.15 -0.02 -0.07 -0.11 0.10 -0.04 -0.10 -0.00 0.04 0.06 -0.04 0.00 0.02 0.08 0.04 0.03 0.01 0.08 0.10 -0.00 0.04 0.08 0.18 -0.22 -0.26 0.21 -0.29 0.12 -0.15 0.09 -0.13 -0.03 0.13 0.13 -0.09 -0.07 0.01 0.07 0.06 0.00 -0.07 0.05 -0.04 -0.05 0.06 0.01 -0.13 0.16 -0.04 -0.06 0.14 0.14 -0.04 -0.05 -0.05 0.00 -0.02 0.01 -0.04 0.05 -0.05 -0.07 0.10 0.01 0.04 0.05 0.11 0.07 -0.12 0.02 -0.06 0.00 -0.05 -0.06 -0.10 -0.14 0.15 -0.05 -0.14 -0.00 0.05 0.09 -0.10 0.02 0.07 0.13 0.09 0.09 -0.01 0.17 0.21 0.03 -0.08 0.09 -0.10 0.18 -0.03 -0.08 -0.05 -0.05 -0.11 0.15 -0.10 0.07 -0.06 -0.00 0.07 -0.06 -0.08 -0.03 -0.05 0.04 -0.01 0.03 -0.05 0.01 -0.05 0.12 -0.02 0.01 -0.11 -0.03 0.03 0.13 -0.04 -0.03 -0.07 -0.07 0.06 0.08 0.01 -0.00 0.07 -0.08 0.07 -0.11 -0.02 -0.03 -0.01 0.05 -0.05 0.09 0.07 -0.07 0.12 0.16 -0.04 0.07 0.01 -0.09 0.07 0.00 -0.08 -0.16 0.15 0.06 -0.00 -0.01 -0.01 -0.01 0.07 0.09 -0.03 0.03 -0.06 -0.11 -0.07 -0.09 0.02 -0.06 -0.08 0.04 0.00 0.09 -0.06 0.01 0.08 0.00 0.02 -0.07 0.05 0.07 -0.06 0.16 -0.02 -0.01 -0.10 -0.01 0.01 -0.12 -0.06 0.07 0.09 -0.00 0.08 0.18 -0.08 -0.07 -0.08 -0.08 -0.07 -0.06 -0.12 0.05 0.12 -0.03 0.06 0.04 0.07 0.06 0.12 -0.02 -0.10 0.16 0.05 0.05 0.07 0.24 -0.07 0.10 -0.04 -0.15 0.08 0.01 -0.11 -0.26 0.21 0.10 -0.03 -0.08 -0.02 -0.06 0.05 0.16 -0.08 0.01 -0.00 -0.02 -0.03 0.02 0.01 -0.01 -0.06 -0.12 0.09 -0.05 -0.12 0.01 -0.02 -0.02 0.01 -0.04 -0.08 0.06 -0.02 -0.07 -0.03 -0.03 0.01 0.01 0.04 -0.07 -0.03 -0.02 0.07 -0.09 0.12 0.02 -0.02 -0.02 0.05 0.09 0.00 0.12 -0.06 -0.05 -0.06 0.03 -0.03 -0.11 0.00 -0.00 0.03 0.00 0.00 0.04 -0.00 0.04 0.08 0.02 0.05 0.07 -0.03 0.03 0.06 -0.01 0.05 0.17 0.03 0.03 0.01 -0.03 -0.01 -0.01 0.01 -0.03 -0.04 0.00 0.01 0.07 0.12 -0.02 -0.14 0.11 -0.07 -0.01 -0.10 -0.05 -0.03 -0.05 -0.03 0.04 -0.02 -0.01 -0.14 0.11 0.04 -0.02 -0.03 0.01 0.06 -0.03 -0.01 0.08 -0.20 0.24 -0.10 -0.20 0.13 0.19 -0.01 -0.01 0.05 0.00 0.01 0.06 0.26 0.16 0.25 0.17 -0.24 0.16 -0.10 -0.06 -0.03 0.02 -0.04 -0.14 -0.15 -0.09 -0.11 0.04 0.06 0.08 -0.06 0.03 0.08 -0.02 0.08 0.25 0.06 0.03 -0.01 -0.05 -0.04 -0.04 0.02 -0.08 -0.10 0.01 0.05 -0.03 0.10 0.01 -0.02 0.06 -0.01 -0.04 0.07 -0.08 -0.05 -0.01 -0.01 -0.01 -0.00 -0.02 -0.01 -0.07 -0.05 0.11 -0.01 0.02 -0.04 -0.03 -0.03 0.19 -0.06 -0.02 -0.17 0.02 0.09 0.10 -0.10 -0.07 -0.12 -0.01 0.04 -0.09 -0.01 -0.03 0.10 0.07 -0.02 -0.03 0.02 -0.01 0.01 -0.01 -0.00 -0.00 -0.03 0.03 0.01 -0.04 0.03 0.02 -0.04 0.04 0.01 0.01 0.01 0.11 -0.04 -0.01 0.00 -0.03 -0.00 -0.00 -0.03 -0.04 -0.02 0.00 -0.01 0.06 -0.12 -0.08 0.11 -0.14 -0.08 0.08 0.07 0.08 -0.02 0.05 0.06 -0.03 -0.04 -0.05 0.15 -0.01 -0.03 0.20 -0.07 -0.05 -0.16 -0.07 -0.03 -0.17 0.07 0.22 0.06 0.04 0.15 0.20 -0.16 -0.12 -0.13 -0.15 -0.12 -0.13 -0.06 -0.05 -0.23 -0.05 0.22 -0.13 0.07 0.04 0.13 -0.10 -0.14 0.24 0.08 0.05 0.13 -0.06 0.05 0.02 -0.04 0.05 0.02 0.01 0.03 0.16 -0.04 -0.02 -0.00 -0.02 -0.01 -0.00 -0.02 -0.09 -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 0.01 0.00 0.02 -0.03 -0.01 -0.00 0.01 0.00 0.03 -0.03 -0.01 0.00 -0.00 0.00 -0.06 0.06 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 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -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 -0.03 0.02 -0.02 0.05 -0.04 0.01 0.02 -0.04 -0.03 -0.00 0.01 0.01 -0.01 0.01 0.00 0.10 -0.07 0.07 0.04 -0.09 -0.11 0.01 -0.01 0.01 0.00 -0.01 -0.01 -0.10 0.09 0.11 -0.10 0.13 -0.06 0.00 -0.00 0.00 0.01 -0.00 -0.00 0.08 0.28 0.43 0.39 -0.42 -0.10 -0.38 0.04 -0.35 -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 0.17 0.03 0.01 -0.02 0.01 -0.04 0.19 0.14 0.07 -0.09 0.08 -0.02 0.04 0.04 -0.00 0.06 0.02 0.02 0.03 -0.01 -0.03 -0.01 -0.01 -0.01 0.03 0.03 0.00 -0.03 -0.01 0.01 -0.01 0.06 0.05 -0.03 -0.04 0.02 0.11 -0.02 0.09 -0.06 -0.05 -0.02 0.04 0.07 -0.02 0.05 0.01 0.03 -0.02 0.01 0.00 -0.08 -0.10 -0.03 -0.14 -0.14 -0.02 -0.15 -0.10 -0.05 0.08 -0.06 -0.05 -0.17 -0.09 0.00 -0.19 -0.01 0.00 -0.22 0.02 0.04 0.12 -0.02 -0.03 0.05 -0.02 -0.07 0.05 -0.05 -0.00 -0.04 -0.02 -0.03 -0.02 -0.01 0.01 0.03 0.01 -0.02 0.08 0.04 0.03 -0.03 0.00 -0.00 -0.03 -0.00 0.02 -0.04 0.13 -0.01 -0.08 0.05 0.14 -0.03 -0.04 0.00 -0.03 -0.04 0.02 0.21 0.11 0.24 0.21 -0.22 0.09 -0.08 -0.08 -0.05 -0.06 -0.00 -0.04 -0.05 -0.07 -0.00 -0.16 -0.15 -0.04 -0.18 -0.15 -0.04 0.06 -0.06 -0.10 -0.15 -0.08 -0.01 -0.17 0.05 0.04 -0.24 0.12 0.09 0.14 -0.10 0.04 -0.01 0.01 0.06 -0.11 -0.07 -0.09 0.12 -0.10 -0.02 0.08 0.07 -0.02 0.08 0.12 -0.10 -0.02 -0.01 0.02 0.03 0.00 0.02 -0.07 -0.04 -0.03 0.05 0.03 0.02 -0.05 -0.07 -0.06 0.08 0.08 -0.00 -0.18 0.02 -0.08 0.10 0.09 0.02 -0.01 -0.05 -0.00 -0.00 0.02 -0.03 0.00 0.03 0.02 -0.04 -0.02 0.07 -0.05 -0.03 0.06 -0.12 -0.03 0.03 0.01 0.14 0.04 -0.06 -0.01 0.01 -0.13 -0.02 -0.02 -0.12 -0.00 -0.03 0.08 0.15 -0.02 -0.02 0.00 0.04 -0.03 0.01 0.01 0.04 0.00 0.03 0.03 0.00 0.00 -0.08 -0.04 -0.00 -0.11 -0.05 -0.06 0.05 0.02 0.02 0.04 0.02 0.01 -0.04 -0.17 -0.00 0.02 -0.06 -0.15 0.08 0.09 0.01 0.08 0.09 -0.01 -0.29 -0.13 -0.26 -0.31 0.25 -0.07 0.12 0.12 0.05 0.10 0.04 0.04 0.10 0.11 0.00 -0.04 -0.04 0.06 -0.17 -0.06 0.06 -0.07 0.19 0.07 -0.01 0.01 -0.02 -0.15 -0.03 -0.03 -0.12 0.01 -0.06 -0.03 0.11 -0.04 -0.07 0.06 0.04 0.21 0.12 -0.05 0.06 -0.04 -0.10 -0.05 -0.06 0.02 -0.03 -0.16 0.06 -0.03 -0.05 0.02 0.02 -0.00 0.03 -0.12 -0.07 -0.05 0.06 0.04 0.04 -0.18 -0.06 -0.04 0.12 0.11 -0.00 -0.21 -0.04 0.01 0.15 0.13 0.02 0.08 0.05 -0.08 0.04 -0.02 0.00 -0.00 -0.02 -0.00 0.00 -0.03 -0.00 0.02 -0.03 -0.01 0.01 -0.03 -0.00 0.03 -0.15 0.07 0.01 -0.02 -0.00 0.00 0.00 0.01 0.01 0.01 0.01 -0.01 -0.17 0.07 -0.00 -0.04 -0.00 -0.02 -0.05 0.03 0.02 -0.01 0.03 0.02 0.00 0.03 -0.15 -0.10 -0.07 -0.11 -0.08 -0.04 0.05 0.04 0.04 0.05 0.03 0.04 -0.23 -0.07 -0.06 -0.17 -0.04 -0.02 0.14 0.13 0.01 0.14 0.13 0.01 -0.24 -0.09 -0.07 -0.29 0.05 0.05 0.17 0.16 0.03 0.13 0.09 0.05 0.17 0.15 0.02 0.03 -0.03 -0.00 0.01 -0.04 -0.01 0.11 -0.18 0.10 0.01 -0.03 -0.00 -0.00 0.02 0.02 0.00 0.04 0.02 0.15 0.04 -0.01 -0.02 0.06 -0.00 -0.13 -0.20 0.03 -0.10 0.12 0.02 0.04 -0.10 0.01 0.06 -0.05 0.13 -0.02 -0.00 0.00 -0.00 -0.00 0.00 -0.02 -0.02 -0.01 0.01 0.01 0.01 -0.05 -0.02 0.01 0.03 0.02 0.00 -0.03 -0.01 0.04 0.03 0.03 0.00 -0.07 -0.04 -0.01 0.03 -0.12 -0.01 0.04 -0.12 -0.08 -0.02 0.11 -0.10 -0.13 0.21 -0.01 -0.00 0.24 -0.02 0.04 -0.11 -0.01 -0.11 0.05 0.02 0.04 0.05 -0.01 -0.00 -0.18 -0.06 0.08 -0.08 0.06 -0.02 -0.01 0.01 -0.02 0.00 -0.00 0.00 -0.00 0.01 -0.00 -0.00 -0.00 -0.02 -0.03 -0.03 -0.01 -0.03 0.01 0.01 0.00 0.01 0.01 0.01 0.01 -0.06 -0.02 -0.00 -0.06 -0.02 0.02 0.03 0.03 0.00 0.03 0.03 0.00 -0.03 0.01 0.08 -0.03 -0.06 0.05 0.04 0.03 0.00 0.03 0.02 0.01 0.04 0.03 0.00 -0.24 0.30 -0.01 0.02 0.36 0.00 0.03 -0.11 -0.03 -0.17 0.05 0.06 0.11 0.03 0.02 0.05 -0.44 -0.11 0.02 0.02 -0.01 -0.07 0.01 0.03 0.02 0.02 -0.03 0.04 -0.05 -0.02 -0.00 -0.02 0.00 0.01 -0.04 0.02 0.02 0.06 -0.09 -0.00 0.03 -0.08 0.10 0.06 0.04 0.02 0.01 0.03 0.12 -0.02 0.07 -0.03 -0.05 0.09 -0.10 0.13 -0.03 -0.10 -0.08 -0.05 -0.00 -0.00 -0.01 0.01 -0.01 -0.01 0.00 -0.01 -0.01 0.00 -0.00 0.00 -0.00 0.01 0.01 -0.00 0.01 0.01 0.01 -0.04 0.02 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.01 -0.01 0.01 -0.05 0.03 -0.02 0.04 -0.06 -0.00 0.06 -0.11 -0.03 0.00 -0.08 -0.04 -0.00 -0.08 0.17 0.12 0.10 0.11 0.11 0.01 0.07 0.05 0.04 0.07 0.05 0.03 0.16 -0.18 0.17 0.26 -0.01 -0.10 -0.02 -0.04 0.08 -0.02 -0.04 0.08 -0.30 -0.08 -0.23 -0.17 0.45 -0.12 -0.18 -0.15 -0.08 -0.03 0.02 -0.17 -0.18 -0.15 -0.07 -0.01 0.01 0.01 -0.01 0.01 0.01 0.03 -0.05 0.04 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.02 -0.01 -0.03 -0.01 0.00 0.10 -0.00 -0.05 0.00 -0.03 0.01 -0.04 0.05 -0.00 0.01 0.01 -0.00 -0.00 0.03 -0.02 -0.09 -0.05 -0.11 -0.03 0.01 -0.16 -0.04 -0.02 0.12 0.09 0.06 0.08 -0.09 -0.02 0.16 0.08 0.03 0.15 -0.04 -0.14 -0.03 -0.01 0.00 -0.05 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 -0.00 0.00 -0.00 -0.00 -0.00 0.03 -0.01 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.01 0.04 -0.02 -0.14 -0.12 -0.14 -0.16 -0.15 -0.10 -0.06 -0.03 -0.16 -0.07 -0.02 -0.16 0.01 0.00 0.11 0.05 0.04 0.13 0.17 0.14 0.09 0.18 0.13 0.09 -0.09 0.21 0.04 -0.18 0.01 0.35 0.11 0.06 0.15 0.10 0.07 0.15 -0.10 -0.20 -0.10 -0.06 -0.01 -0.07 -0.11 -0.08 -0.09 0.09 0.13 -0.21 -0.11 -0.08 -0.08 -0.00 -0.01 -0.00 0.00 -0.00 -0.00 -0.02 0.04 -0.02 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.01 0.00 0.08 0.06 0.03 0.01 0.00 0.01 -0.12 -0.14 -0.02 0.03 -0.01 -0.01 -0.12 0.11 0.25 -0.06 -0.14 -0.21 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 -0.05 -0.06 -0.02 0.04 0.05 0.14 -0.04 0.17 0.24 -0.04 0.19 -0.05 -0.04 -0.02 -0.14 0.07 -0.04 -0.16 0.06 -0.03 0.06 -0.04 -0.10 -0.06 0.09 -0.04 -0.03 -0.01 0.13 0.11 0.02 -0.16 -0.17 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 0.01 -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 0.01 0.00 0.00 0.00 0.00 0.00 0.00 -0.01 -0.01 -0.02 -0.01 0.02 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.01 -0.00 -0.00 -0.00 -0.09 -0.08 -0.20 0.16 -0.15 -0.26 0.12 -0.06 0.08 -0.09 -0.25 -0.07 0.18 -0.11 -0.03 -0.04 0.27 0.26 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.01 -0.01 -0.00 0.00 -0.00 -0.00 0.01 -0.01 -0.02 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 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -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 -0.04 0.20 0.10 0.04 -0.18 -0.08 -0.01 -0.00 -0.01 0.04 -0.17 -0.09 -0.03 0.18 0.09 0.01 -0.01 -0.01 -0.00 0.01 0.01 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.09 0.41 0.20 0.08 -0.41 -0.19 -0.01 -0.00 -0.03 0.09 -0.38 -0.19 -0.08 0.40 0.19 0.01 -0.03 -0.02 -0.12 -0.02 0.04 -0.02 0.00 0.01 0.10 0.04 0.02 -0.03 0.02 -0.01 0.13 0.06 0.34 0.13 -0.02 -0.15 0.01 0.01 -0.00 0.00 -0.00 0.02 0.01 0.01 -0.01 -0.01 -0.01 -0.00 -0.00 -0.00 0.00 -0.01 -0.00 -0.01 -0.02 0.01 0.01 0.00 0.00 0.00 0.04 0.02 -0.01 0.01 -0.08 -0.09 0.07 -0.11 -0.04 0.05 -0.14 -0.11 -0.04 0.05 0.00 -0.01 0.04 -0.04 -0.02 0.07 0.11 -0.06 0.05 0.04 -0.02 0.09 0.02 -0.02 -0.13 -0.05 0.03 -0.01 -0.28 0.02 0.02 0.00 0.02 0.02 -0.00 0.00 -0.00 0.02 0.00 -0.00 0.01 0.01 0.01 -0.01 0.01 0.01 -0.01 -0.02 -0.02 -0.00 -0.02 -0.01 -0.00 -0.01 -0.03 0.01 0.01 -0.01 -0.02 -0.01 -0.00 -0.01 -0.01 -0.00 -0.01 -0.03 -0.01 -0.01 -0.03 0.04 0.01 0.01 0.01 0.01 -0.01 -0.01 0.02 0.01 0.01 0.01 -0.12 0.18 0.04 -0.04 0.16 0.03 -0.11 0.23 0.50 -0.08 0.17 0.10 -0.01 0.23 0.11 -0.00 -0.25 -0.08 -0.17 -0.03 -0.00 -0.05 0.05 -0.04 0.05 -0.10 0.09 0.12 -0.10 -0.06 0.17 -0.10 -0.11 0.13 0.05 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 -0.03 0.04 0.02 0.00 0.00 0.00 0.03 -0.04 -0.05 0.10 0.06 0.37 0.12 0.01 0.23 0.05 0.04 -0.08 -0.07 0.00 -0.05 -0.01 0.07 -0.11 0.09 0.04 -0.14 -0.10 -0.02 0.03 -0.01 0.01 -0.04 -0.10 -0.04 0.03 0.03 0.09 0.01 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 -0.01 0.01 -0.00 0.00 -0.01 -0.01 0.00 -0.01 -0.01 0.00 -0.01 -0.04 0.02 0.03 0.01 -0.03 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.04 0.04 0.05 -0.01 0.02 0.01 0.01 0.00 0.00 -0.00 -0.00 0.01 0.01 0.00 0.00 -0.17 0.04 -0.09 -0.02 0.10 -0.09 0.11 -0.11 -0.62 -0.12 -0.00 0.05 0.09 0.01 0.02 -0.10 -0.05 0.07 -0.00 -0.00 0.00 -0.00 0.01 0.01 -0.00 0.00 0.00 0.01 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.07 0.02 0.15 0.17 0.15 -0.01 -0.05 -0.04 -0.02 0.11 0.12 -0.11 -0.08 -0.02 -0.09 -0.04 -0.06 0.08 -0.04 -0.07 -0.01 -0.13 -0.12 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.08 0.02 0.12 0.07 0.03 0.14 0.27 0.23 0.02 0.27 0.24 0.02 -0.11 -0.09 -0.06 -0.11 -0.11 -0.01 0.17 0.16 -0.08 0.16 0.17 -0.08 -0.10 -0.01 -0.11 -0.12 -0.04 -0.05 -0.09 -0.11 0.05 -0.10 -0.09 0.05 0.03 -0.00 0.05 -0.05 -0.17 0.05 -0.23 -0.20 -0.04 -0.03 0.01 -0.16 -0.23 -0.19 -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 -0.08 0.00 -0.01 0.07 -0.08 0.12 0.04 -0.09 -0.10 -0.18 0.19 -0.06 0.03 0.00 -0.03 0.03 -0.01 0.00 0.11 0.09 -0.01 0.04 0.00 0.10 0.06 0.09 -0.07 -0.04 -0.03 -0.01 -0.04 -0.04 0.07 -0.04 -0.02 -0.07 -0.09 -0.07 0.02 -0.01 -0.02 0.01 0.01 -0.04 -0.10 0.11 -0.00 -0.07 0.07 0.03 -0.01 0.02 0.09 0.05 -0.01 -0.02 0.03 -0.02 -0.00 -0.02 0.10 0.03 -0.00 -0.01 -0.05 -0.00 -0.03 -0.03 -0.04 -0.07 0.05 0.02 0.02 0.02 0.07 0.19 0.15 -0.01 0.18 0.14 0.02 0.03 0.01 0.09 0.04 -0.00 0.09 0.10 0.13 -0.02 0.09 0.13 -0.07 -0.09 -0.07 -0.03 -0.09 -0.07 -0.01 -0.11 -0.01 0.01 -0.11 -0.06 0.11 -0.06 -0.03 -0.06 -0.05 -0.03 -0.07 -0.21 -0.28 -0.27 -0.24 0.27 0.00 0.03 0.02 0.03 -0.05 -0.07 0.08 0.03 0.02 0.03 -0.02 -0.09 -0.02 -0.04 -0.10 -0.03 0.15 0.01 -0.01 0.03 -0.12 -0.06 0.01 -0.11 -0.07 -0.08 0.09 0.04 0.08 -0.00 0.01 0.03 0.00 -0.03 0.03 0.03 0.03 0.03 -0.04 -0.04 -0.05 -0.02 -0.00 -0.06 0.06 -0.03 0.11 0.10 -0.03 0.03 0.00 0.10 0.07 0.10 -0.05 -0.04 -0.03 -0.00 -0.07 -0.05 0.11 -0.04 -0.02 -0.06 -0.09 -0.14 -0.01 -0.01 -0.01 0.01 0.04 0.04 -0.03 -0.11 -0.02 0.15 -0.10 -0.03 0.08 -0.04 -0.10 -0.07 0.01 0.03 -0.06 0.02 -0.00 0.01 -0.11 -0.02 -0.03 0.01 0.06 -0.01 0.04 0.03 0.05 0.10 -0.05 -0.02 -0.03 0.04 -0.05 0.19 0.15 -0.04 0.19 0.13 0.01 0.02 0.00 0.09 0.03 -0.01 0.08 0.13 0.15 -0.01 0.13 0.15 -0.04 -0.09 -0.07 -0.02 -0.09 -0.07 -0.00 -0.14 0.10 -0.01 -0.20 -0.07 0.25 -0.05 -0.02 -0.06 -0.04 -0.03 -0.06 -0.22 -0.27 -0.11 -0.13 0.07 -0.07 0.03 0.02 0.03 -0.05 -0.07 0.08 0.03 0.02 0.03 0.03 0.11 -0.00 0.06 0.12 0.02 -0.22 -0.01 -0.18 -0.06 0.13 0.07 -0.01 0.14 0.09 0.10 -0.09 -0.03 0.04 -0.01 0.01 0.04 -0.10 0.17 0.09 -0.01 -0.08 -0.12 0.12 -0.13 -0.03 -0.02 -0.02 -0.04 0.06 -0.05 -0.09 -0.08 0.04 -0.03 0.00 -0.07 -0.06 -0.08 0.02 0.03 0.03 -0.00 0.07 0.05 -0.12 0.03 0.01 0.05 0.08 0.15 0.02 0.01 0.01 -0.01 0.04 0.01 -0.15 -0.07 -0.02 0.16 -0.09 -0.01 0.13 -0.03 -0.10 -0.08 0.01 0.02 -0.07 0.02 -0.01 -0.01 -0.08 -0.01 -0.03 0.00 0.06 0.00 0.03 0.03 0.05 0.08 -0.06 -0.02 -0.02 0.06 0.00 -0.16 -0.13 0.05 -0.15 -0.10 0.00 -0.01 0.00 -0.06 -0.02 0.01 -0.06 -0.13 -0.14 -0.00 -0.14 -0.13 0.00 0.07 0.05 0.01 0.07 0.06 -0.01 0.13 -0.12 0.01 0.20 0.07 -0.26 0.03 0.01 0.04 0.03 0.02 0.05 0.18 0.14 -0.13 -0.01 0.14 0.10 -0.02 -0.02 -0.02 0.04 0.05 -0.06 -0.02 -0.02 -0.02 0.01 0.11 -0.01 0.05 0.13 0.01 -0.17 -0.04 -0.29 -0.08 0.15 0.09 -0.01 0.15 0.10 0.09 -0.09 -0.02 0.01 -0.02 0.01 -0.03 0.01 -0.02 0.15 -0.03 0.08 -0.01 -0.01 -0.02 0.03 -0.11 0.05 0.02 0.12 -0.02 -0.00 -0.01 0.00 0.00 0.00 -0.00 -0.01 -0.01 -0.00 0.00 0.00 -0.00 -0.01 0.00 -0.00 0.00 0.00 0.00 -0.03 0.06 0.04 -0.00 -0.00 -0.00 0.10 0.01 -0.02 -0.05 -0.20 -0.02 -0.06 -0.17 -0.03 -0.10 0.20 0.08 -0.03 0.08 -0.04 0.01 0.06 0.02 -0.10 0.03 -0.00 0.01 -0.09 -0.09 0.05 -0.11 -0.03 0.03 0.15 0.08 -0.00 0.12 -0.05 -0.01 -0.01 0.01 -0.01 -0.00 -0.00 0.00 0.01 -0.01 0.00 0.01 0.00 -0.02 -0.02 -0.02 -0.00 -0.02 0.00 0.01 0.01 -0.00 0.00 0.01 -0.00 -0.01 -0.09 0.04 0.04 0.00 -0.08 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.02 0.07 0.05 -0.02 0.03 0.04 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.05 -0.13 -0.13 0.11 -0.13 -0.11 -0.34 0.18 0.11 0.01 -0.40 -0.19 0.10 -0.39 -0.17 0.03 0.17 0.12 -0.00 -0.03 0.00 0.00 -0.03 0.07 -0.13 0.22 -0.14 -0.03 -0.04 0.01 0.22 -0.03 0.03 0.25 -0.17 -0.01 -0.00 0.00 -0.01 -0.01 -0.01 -0.00 0.01 0.01 0.01 -0.00 -0.01 0.00 0.03 0.00 -0.02 0.00 0.00 -0.00 0.10 -0.14 -0.13 0.00 0.00 -0.00 0.02 0.22 0.05 -0.24 0.06 -0.07 0.05 -0.00 0.15 0.03 0.10 -0.00 -0.03 0.05 -0.03 0.00 0.09 -0.07 -0.23 -0.14 0.00 -0.03 -0.06 -0.01 0.03 -0.03 -0.05 -0.06 0.04 0.05 0.00 0.01 0.15 -0.00 -0.00 -0.02 -0.00 -0.01 0.00 -0.01 -0.01 -0.00 -0.01 -0.01 -0.01 0.01 0.04 0.06 -0.03 0.03 -0.02 -0.01 -0.01 0.00 -0.00 -0.01 0.00 0.05 0.24 -0.14 -0.09 0.01 0.18 0.00 0.00 0.00 0.00 0.00 -0.00 0.07 -0.15 -0.13 0.05 -0.05 -0.13 0.01 0.00 0.00 -0.00 -0.00 0.00 0.01 0.00 0.00 -0.09 -0.02 -0.10 0.03 0.02 -0.11 -0.20 -0.20 -0.15 -0.02 -0.19 -0.06 0.14 -0.16 -0.07 -0.06 0.04 0.08 0.00 -0.00 -0.01 0.05 -0.04 -0.09 0.00 -0.01 -0.04 -0.04 -0.02 0.06 -0.01 -0.00 0.04 0.00 -0.04 -0.11 0.01 0.00 0.00 0.01 0.00 0.01 -0.00 -0.00 -0.01 0.00 0.00 -0.00 -0.05 -0.01 0.04 -0.00 -0.00 -0.00 -0.11 0.13 0.15 -0.00 -0.00 0.00 0.07 0.05 0.06 0.01 -0.04 -0.13 -0.00 0.03 0.09 0.01 0.02 -0.12 0.16 0.09 -0.15 -0.17 0.03 -0.17 0.01 -0.00 -0.05 0.18 -0.03 0.17 -0.17 -0.09 0.16 0.01 -0.07 0.09 -0.02 0.07 0.19 0.02 0.01 0.01 0.01 0.01 -0.00 0.01 0.02 0.00 0.01 0.01 0.02 -0.00 -0.03 -0.07 0.06 -0.03 0.04 0.00 0.00 -0.01 -0.00 0.00 0.00 -0.06 -0.26 0.17 0.06 -0.03 -0.17 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.06 0.19 0.21 -0.01 -0.03 0.12 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.02 0.15 -0.19 -0.09 0.12 -0.20 0.02 -0.03 -0.13 0.07 -0.02 0.26 -0.05 -0.03 0.26 -0.02 0.06 -0.17 -0.00 -0.01 -0.01 0.08 -0.07 -0.11 -0.01 0.00 -0.04 -0.03 -0.02 0.03 0.03 0.03 0.03 0.04 -0.05 -0.08 0.01 0.00 0.00 0.01 0.01 0.01 -0.01 -0.01 -0.02 0.00 0.01 -0.01 -0.07 -0.01 0.05 -0.00 -0.00 -0.00 -0.15 0.18 0.20 -0.00 -0.00 0.00 0.07 0.07 0.04 -0.04 -0.01 -0.05 -0.01 0.04 0.08 0.01 -0.04 0.06 -0.13 -0.09 0.09 0.15 -0.03 0.09 -0.03 -0.04 -0.03 -0.17 0.05 -0.12 0.14 0.11 -0.12 -0.00 0.01 -0.08 -0.00 0.04 0.14 0.02 0.01 0.01 0.02 0.02 -0.00 0.01 0.02 0.00 0.02 0.02 0.03 -0.01 -0.05 -0.10 0.07 -0.04 0.05 0.00 0.01 -0.01 0.00 0.00 -0.00 -0.08 -0.35 0.22 0.09 -0.04 -0.23 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.07 0.24 0.25 -0.03 -0.02 0.17 -0.01 -0.01 -0.00 -0.00 -0.00 -0.00 -0.01 -0.01 0.00 -0.06 -0.06 0.14 0.08 -0.03 0.15 -0.03 -0.08 -0.16 -0.11 0.14 -0.13 0.06 0.17 -0.13 0.01 -0.08 0.15 -0.00 -0.00 -0.02 -0.12 0.11 0.05 0.12 -0.05 0.04 0.00 0.02 0.09 -0.06 -0.02 0.12 -0.05 -0.02 -0.27 -0.00 0.00 -0.00 -0.01 -0.00 -0.01 0.01 0.01 0.02 -0.00 -0.01 0.00 0.06 0.01 -0.04 0.00 0.00 -0.00 0.11 -0.14 -0.17 0.00 0.00 -0.00 0.01 -0.11 0.06 0.10 -0.14 -0.18 -0.04 0.00 0.14 -0.03 -0.04 -0.00 -0.05 -0.05 -0.03 0.06 -0.05 0.02 0.09 0.02 -0.12 -0.08 0.06 -0.05 0.06 0.06 -0.01 0.05 -0.04 -0.04 -0.02 0.18 0.37 -0.01 -0.01 -0.01 -0.01 -0.01 0.00 -0.01 -0.02 0.00 -0.01 -0.02 -0.03 0.01 0.04 0.09 -0.05 0.04 -0.04 -0.00 -0.01 0.01 0.00 -0.00 -0.00 0.06 0.29 -0.18 -0.07 0.03 0.19 0.00 0.00 0.00 0.00 0.00 0.00 0.04 -0.16 -0.13 0.04 -0.03 -0.16 0.00 0.00 0.00 0.00 0.00 0.00 0.01 0.01 -0.00 -0.03 0.03 0.03 0.05 0.02 0.05 0.02 -0.00 -0.30 -0.12 0.18 0.02 -0.01 0.20 0.04 0.05 -0.05 0.06 0.01 0.01 -0.00 -0.10 -0.02 0.03 -0.15 -0.20 -0.04 -0.20 -0.17 -0.00 -0.10 -0.07 0.01 -0.12 0.04 0.01 -0.01 -0.00 0.00 -0.00 -0.00 -0.01 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.03 0.01 -0.03 0.00 0.00 0.00 0.05 -0.05 -0.07 0.00 0.00 -0.00 0.59 0.54 0.10 0.12 -0.01 0.03 0.04 -0.02 -0.04 0.05 0.00 0.01 0.01 -0.05 0.05 0.02 -0.01 -0.02 0.12 0.11 -0.01 0.00 0.01 0.04 -0.00 0.04 -0.03 -0.05 -0.03 -0.02 -0.03 -0.02 -0.07 -0.01 -0.01 -0.00 -0.01 -0.01 0.00 -0.00 -0.01 -0.00 -0.01 -0.00 -0.01 -0.01 0.00 0.02 -0.03 -0.01 -0.01 0.00 0.00 0.00 0.00 0.00 -0.00 0.04 0.11 -0.07 -0.01 0.02 0.04 0.00 0.00 0.00 0.00 0.00 0.00 0.05 -0.04 -0.05 0.04 -0.01 -0.08 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.01 -0.04 0.05 -0.04 -0.03 0.02 0.16 0.09 0.01 0.06 0.08 0.02 0.02 0.08 0.00 -0.05 -0.03 -0.02 -0.10 -0.00 -0.00 -0.03 0.01 -0.00 -0.04 -0.11 -0.00 -0.04 -0.02 0.02 0.15 0.29 -0.10 0.16 -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 0.01 0.00 -0.00 0.00 0.00 0.00 0.01 -0.01 -0.02 0.00 0.00 -0.00 0.11 0.04 0.03 0.03 -0.03 0.01 -0.12 0.10 -0.04 -0.25 -0.05 -0.01 -0.06 0.08 -0.19 -0.07 -0.10 0.18 0.08 -0.17 0.07 -0.04 0.08 -0.18 -0.06 -0.11 0.21 0.26 0.04 0.01 0.21 -0.05 0.01 0.00 -0.00 -0.01 0.00 -0.01 0.01 0.00 -0.01 0.01 0.00 -0.00 -0.01 0.00 -0.00 -0.00 -0.00 -0.01 0.00 0.00 -0.01 0.01 0.01 -0.00 -0.01 0.01 0.02 -0.01 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.01 -0.01 -0.02 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.11 0.11 -0.08 0.13 -0.02 0.08 0.09 -0.18 0.07 -0.30 -0.00 -0.03 -0.33 -0.09 0.07 0.25 0.07 -0.02 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.01 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 0.01 0.00 -0.00 -0.00 0.00 0.00 0.02 -0.10 -0.05 -0.01 0.07 0.04 -0.01 0.06 0.04 0.01 0.01 -0.00 0.03 -0.12 -0.06 0.02 -0.12 -0.06 -0.01 0.06 0.03 -0.00 -0.00 0.01 -0.01 0.01 0.02 -0.01 0.01 -0.02 -0.01 0.01 -0.02 -0.01 0.01 0.02 -0.01 0.00 0.01 -0.00 0.01 -0.01 -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 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.10 0.43 0.21 -0.10 0.46 0.24 0.02 -0.00 -0.01 -0.02 0.16 0.07 -0.04 0.18 0.08 -0.10 0.52 0.25 -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 0.02 -0.01 -0.00 0.00 -0.00 0.02 -0.03 -0.00 0.03 -0.03 -0.01 0.01 -0.02 -0.01 0.02 -0.02 -0.01 0.00 -0.00 -0.01 0.01 -0.01 -0.00 -0.00 0.01 0.01 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.01 -0.01 0.00 -0.01 0.01 -0.00 0.00 0.01 0.00 0.00 -0.01 0.00 0.00 0.00 -0.01 -0.01 -0.01 0.00 0.00 0.00 0.01 0.00 0.01 -0.00 -0.01 -0.01 -0.00 0.01 0.00 0.00 -0.12 0.08 0.34 -0.14 0.21 -0.26 -0.14 0.23 -0.27 -0.13 0.08 0.36 -0.11 0.02 0.23 -0.06 0.18 -0.16 -0.09 0.20 -0.22 -0.13 0.04 0.28 -0.08 0.04 -0.08 -0.00 0.04 0.09 -0.04 0.06 0.18 -0.09 0.09 -0.14 -0.01 0.00 0.00 -0.01 0.01 0.01 -0.05 -0.01 0.04 -0.01 0.01 -0.00 0.00 0.05 -0.03 0.00 -0.01 -0.00 0.00 -0.01 -0.01 -0.02 -0.01 0.00 0.01 0.01 0.01 0.01 0.01 0.00 -0.01 -0.01 -0.01 -0.02 -0.00 -0.00 -0.03 0.02 0.00 0.07 -0.14 0.11 -0.01 0.00 -0.02 0.04 0.30 -0.09 -0.03 0.06 -0.04 -0.00 -0.00 0.00 -0.01 0.01 0.00 -0.00 -0.01 -0.01 -0.01 0.02 0.00 0.01 0.00 -0.01 -0.01 0.01 0.00 0.01 0.00 0.01 -0.00 0.00 0.00 0.08 -0.04 -0.03 -0.11 -0.14 0.02 -0.09 0.11 -0.07 0.10 0.03 0.01 0.08 -0.06 0.13 0.04 0.06 -0.13 -0.14 -0.25 0.06 0.09 -0.06 0.15 0.04 0.07 -0.13 -0.15 -0.04 -0.01 0.09 0.01 0.04 -0.01 -0.03 -0.03 0.03 -0.01 0.03 0.03 -0.09 0.09 0.07 -0.01 -0.12 -0.01 0.00 0.03 -0.03 0.01 -0.04 0.07 -0.11 0.14 0.07 -0.04 -0.18 -0.02 0.03 -0.04 -0.00 0.01 0.04 0.04 -0.04 -0.15 0.07 -0.08 0.12 -0.02 -0.04 -0.05 -0.02 0.08 0.01 0.05 0.01 -0.04 0.02 -0.01 -0.01 -0.01 -0.06 0.03 -0.04 -0.02 0.09 -0.06 0.08 -0.05 -0.35 -0.15 0.06 0.26 0.10 0.09 0.21 0.15 0.00 -0.17 0.05 0.01 -0.00 -0.00 -0.00 -0.00 0.01 0.01 0.00 -0.01 0.01 -0.00 0.00 -0.00 0.00 0.02 -0.00 -0.00 0.00 -0.00 -0.02 0.03 0.00 0.00 -0.00 -0.00 -0.02 0.03 0.02 0.03 -0.03 -0.00 -0.01 0.01 0.01 0.03 -0.03 -0.01 0.00 -0.02 -0.03 0.00 -0.00 -0.00 0.01 -0.00 -0.00 -0.01 -0.01 0.00 -0.01 0.01 -0.00 0.01 -0.00 -0.00 0.00 -0.00 0.01 0.00 0.00 -0.01 -0.01 -0.01 0.00 0.01 -0.00 0.01 0.00 0.00 -0.01 -0.01 -0.00 0.00 0.01 0.00 0.00 0.13 -0.01 -0.23 0.04 -0.18 0.17 0.05 0.08 -0.02 -0.09 -0.05 0.02 0.12 -0.03 -0.31 0.11 -0.22 0.24 -0.15 0.15 -0.24 -0.08 0.08 0.31 0.13 -0.08 0.14 0.01 -0.06 -0.18 -0.10 0.09 0.33 -0.15 0.19 -0.27 0.03 0.00 -0.01 0.01 -0.04 -0.03 -0.13 -0.03 0.10 -0.04 0.04 0.01 0.03 0.15 -0.07 -0.00 0.00 0.01 -0.00 0.01 -0.00 -0.02 -0.01 0.00 0.02 0.00 0.00 0.01 0.01 -0.00 -0.01 0.00 -0.00 -0.00 -0.00 0.00 -0.01 0.01 -0.01 0.03 0.00 -0.05 -0.01 0.01 0.04 0.02 -0.08 -0.10 0.01 0.04 0.10 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 -0.01 -0.01 -0.01 -0.00 0.00 0.00 0.01 -0.03 0.03 -0.00 -0.06 -0.12 -0.01 0.05 0.18 -0.03 0.14 0.07 0.01 -0.07 -0.06 0.02 -0.07 -0.06 -0.03 0.01 0.06 -0.02 0.01 -0.00 0.01 0.02 -0.00 0.02 -0.10 -0.04 0.01 -0.02 -0.11 0.01 0.00 -0.00 -0.00 -0.00 -0.00 -0.01 0.00 -0.01 -0.00 0.00 0.00 0.01 -0.00 -0.02 0.02 -0.01 0.02 0.00 -0.00 0.01 -0.00 -0.01 -0.00 0.02 -0.00 0.01 0.00 -0.00 -0.02 0.00 -0.00 -0.01 0.00 -0.01 0.01 0.01 0.02 0.03 0.01 -0.04 -0.01 0.01 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.01 0.00 -0.04 0.10 0.02 -0.01 0.13 0.03 -0.08 0.10 0.27 -0.13 0.46 0.23 -0.06 0.47 0.23 -0.07 0.33 0.20 0.00 -0.00 -0.00 0.00 -0.01 -0.01 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.03 0.01 0.02 -0.04 0.04 0.01 0.01 -0.04 -0.04 0.00 0.00 -0.01 0.04 -0.03 -0.01 0.04 -0.04 -0.00 0.02 0.04 0.06 0.01 -0.01 -0.00 -0.00 0.01 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 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.06 -0.10 -0.13 0.12 -0.01 0.13 0.13 -0.15 0.24 0.08 -0.05 -0.29 -0.03 0.06 0.25 -0.18 0.10 -0.22 -0.09 -0.08 -0.03 0.11 0.09 0.01 -0.19 0.12 -0.22 -0.02 0.06 0.28 -0.14 0.02 0.29 -0.08 0.20 -0.23 -0.08 -0.06 -0.02 -0.03 0.16 0.04 -0.19 -0.07 0.12 -0.06 0.08 0.01 0.05 0.20 -0.09 -0.00 0.01 0.00 -0.00 0.01 0.00 0.00 0.00 0.01 -0.01 0.02 0.01 -0.01 0.02 0.01 -0.00 0.02 0.01 -0.00 0.00 0.00 -0.02 0.02 -0.01 0.06 -0.02 -0.12 -0.03 0.02 0.10 -0.01 -0.01 -0.10 -0.04 0.06 0.06 0.01 0.00 -0.01 -0.00 0.01 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 -0.02 -0.00 -0.02 0.00 -0.00 -0.00 0.03 -0.05 0.07 0.02 -0.05 -0.09 -0.04 0.07 0.22 0.04 -0.19 -0.09 -0.02 0.06 0.04 0.00 0.07 0.01 0.01 0.00 0.07 -0.01 0.00 0.01 0.02 0.02 -0.02 -0.03 0.09 0.05 0.02 -0.03 -0.09 -0.02 -0.01 0.01 0.01 0.03 -0.01 0.00 -0.02 0.02 0.01 -0.00 -0.03 0.00 0.01 0.06 0.00 0.04 -0.02 -0.01 -0.02 0.01 0.02 0.01 -0.01 -0.00 0.01 -0.01 0.02 0.02 0.01 -0.02 -0.00 0.03 -0.00 0.02 -0.03 0.01 0.06 0.07 0.02 -0.10 -0.01 -0.02 -0.01 0.02 -0.01 0.00 0.01 0.01 0.03 -0.01 -0.01 -0.03 -0.01 0.01 0.01 -0.02 -0.02 0.01 0.07 0.10 -0.45 -0.22 0.14 -0.42 -0.23 0.07 -0.44 -0.18 0.00 -0.00 -0.00 -0.01 -0.00 -0.02 -0.01 0.00 0.03 0.01 -0.01 -0.00 0.00 -0.01 -0.01 0.00 -0.00 0.01 -0.05 0.00 0.03 0.02 -0.03 -0.00 -0.06 0.01 -0.07 0.03 -0.02 -0.03 0.04 -0.03 0.02 -0.02 0.03 0.02 0.11 0.03 0.10 -0.01 0.02 0.01 -0.00 0.01 -0.00 0.00 -0.00 -0.03 0.00 0.02 0.04 0.00 -0.02 -0.01 -0.00 0.01 -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 0.01 0.00 -0.01 -0.00 -0.00 0.10 0.01 -0.13 -0.03 -0.16 0.15 0.05 0.16 -0.09 -0.10 -0.03 0.14 0.03 0.02 -0.18 -0.13 -0.17 -0.01 0.03 0.16 -0.13 -0.11 -0.02 0.12 -0.09 0.06 -0.10 -0.14 -0.08 0.16 0.12 0.03 -0.13 -0.02 -0.16 0.13 -0.18 -0.28 -0.19 -0.04 0.50 0.01 0.14 0.05 -0.11 0.09 -0.04 -0.05 -0.08 -0.19 0.07 -0.00 0.00 -0.00 -0.00 0.01 0.01 0.01 0.03 0.08 -0.00 -0.04 -0.02 0.00 -0.03 -0.01 0.01 -0.04 -0.02 0.00 -0.00 -0.00 0.01 -0.01 0.02 -0.07 0.01 0.20 0.03 -0.01 -0.12 0.00 -0.00 -0.04 0.00 -0.02 0.02 0.03 -0.04 -0.01 -0.00 0.00 0.01 -0.02 0.01 -0.01 -0.03 0.04 0.01 -0.03 0.03 0.03 0.02 -0.02 -0.00 0.04 -0.02 0.00 0.01 -0.02 -0.00 -0.01 0.05 -0.08 0.01 -0.02 -0.12 0.01 0.05 0.11 0.01 -0.05 -0.02 -0.01 0.01 -0.01 -0.00 -0.00 -0.00 0.01 0.01 -0.08 -0.02 0.01 -0.01 -0.00 -0.00 0.01 0.00 0.02 0.01 -0.02 -0.00 0.03 -0.04 0.03 0.19 -0.06 0.10 -0.16 -0.09 -0.09 0.00 0.11 0.09 0.00 -0.11 -0.09 -0.09 0.11 0.03 0.05 0.02 -0.12 0.14 0.09 0.01 -0.17 0.09 -0.11 0.16 -0.02 -0.06 -0.18 -0.12 -0.06 0.08 0.05 0.13 -0.07 0.04 -0.07 -0.13 -0.00 0.10 -0.02 -0.15 -0.07 0.10 -0.06 0.07 0.01 0.06 0.16 -0.07 -0.01 0.01 -0.01 -0.01 0.08 0.04 0.01 0.19 0.56 -0.01 -0.12 -0.06 0.00 -0.05 -0.02 0.03 -0.12 -0.04 -0.00 0.00 0.00 -0.01 0.02 -0.02 0.02 0.00 -0.07 -0.01 0.00 0.06 -0.00 -0.00 0.01 -0.00 0.01 -0.01 0.02 -0.06 -0.00 0.00 -0.01 0.01 -0.05 0.02 -0.05 -0.04 0.05 -0.01 -0.03 0.01 0.06 0.02 -0.02 0.00 0.10 -0.01 0.03 0.02 -0.02 -0.00 0.01 -0.03 0.04 -0.00 0.01 0.04 0.00 -0.02 -0.03 -0.00 0.01 0.00 0.00 -0.01 -0.00 -0.00 0.01 0.01 -0.01 0.00 0.03 0.01 -0.02 -0.00 -0.00 0.01 0.00 0.00 -0.01 -0.00 0.00 -0.00 -0.01 -0.02 0.05 0.22 -0.10 0.09 -0.18 -0.11 -0.09 -0.02 0.14 0.12 0.06 -0.14 -0.11 -0.20 0.10 -0.02 0.06 0.04 -0.13 0.16 0.09 0.01 -0.23 0.08 -0.11 0.18 -0.12 -0.15 -0.16 -0.15 -0.09 0.08 0.07 0.15 -0.06 -0.06 -0.20 -0.18 0.02 0.33 -0.06 -0.20 -0.10 0.11 -0.05 0.11 -0.01 0.06 0.19 -0.09 -0.01 0.06 0.03 0.02 -0.10 -0.05 -0.00 -0.08 -0.24 -0.01 0.11 0.05 0.01 -0.06 -0.03 -0.01 0.04 0.01 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.02 -0.00 0.00 0.01 0.00 -0.00 0.01 0.00 0.00 -0.00 0.00 -0.01 -0.00 0.00 -0.00 0.00 -0.01 0.00 -0.01 -0.00 0.01 -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 0.01 -0.00 0.00 0.01 -0.00 -0.01 -0.01 -0.00 0.01 0.00 -0.01 0.06 0.03 0.01 -0.07 -0.04 0.00 0.00 0.01 -0.01 0.07 0.03 0.01 -0.06 -0.03 -0.00 -0.00 0.00 0.01 0.00 -0.00 -0.00 0.01 0.03 -0.01 0.01 -0.02 -0.01 -0.01 -0.00 0.02 0.01 0.01 -0.02 -0.01 -0.02 0.01 -0.00 0.01 0.01 -0.02 0.02 0.01 0.00 -0.03 0.01 -0.01 0.02 -0.02 -0.02 -0.02 -0.02 -0.01 0.01 0.01 0.02 -0.01 -0.01 -0.02 -0.02 0.00 0.04 -0.01 -0.03 -0.01 0.01 -0.01 0.01 -0.00 0.01 0.02 -0.01 0.10 -0.43 -0.20 -0.10 0.45 0.22 0.00 -0.02 -0.07 0.09 -0.44 -0.22 -0.08 0.42 0.21 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 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.01 0.00 -0.04 0.05 0.05 -0.01 -0.03 -0.03 0.02 0.08 0.04 0.16 -0.01 -0.01 0.00 -0.01 0.02 -0.14 0.03 0.01 0.01 -0.11 -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 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.05 -0.03 -0.04 -0.05 -0.03 -0.05 0.01 0.00 -0.01 0.00 0.01 -0.01 -0.06 -0.05 0.01 -0.05 -0.04 0.01 0.11 0.08 0.15 0.12 0.07 0.16 -0.01 -0.01 0.00 -0.02 -0.02 0.00 0.13 0.15 -0.10 0.13 0.14 -0.10 0.00 -0.03 -0.04 0.00 0.08 0.00 0.16 0.17 0.11 -0.40 -0.47 0.43 0.20 0.11 0.10 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.01 -0.02 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.02 0.00 -0.00 0.00 -0.00 -0.00 -0.01 0.03 -0.11 -0.00 -0.00 0.04 -0.02 -0.03 0.01 -0.02 0.07 -0.03 -0.00 0.00 0.00 0.01 -0.01 -0.00 -0.01 0.01 -0.00 -0.01 0.01 0.01 0.01 -0.01 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.01 0.00 -0.01 -0.00 -0.04 0.02 0.03 0.01 0.01 0.12 -0.03 -0.04 -0.00 -0.02 -0.00 0.00 0.00 0.00 0.01 0.00 0.01 -0.01 0.06 -0.11 -0.14 0.01 -0.01 0.02 0.01 0.01 -0.02 -0.01 -0.01 -0.00 0.09 0.02 0.05 0.04 0.03 -0.00 -0.04 -0.04 0.00 -0.03 0.01 -0.05 0.00 0.02 0.05 0.04 0.02 -0.04 -0.02 -0.04 0.02 0.04 0.00 0.05 -0.01 -0.02 -0.05 -0.01 0.04 -0.04 -0.02 -0.01 0.05 -0.04 -0.03 -0.01 0.05 0.04 0.01 -0.04 -0.01 0.03 0.01 0.01 -0.00 -0.04 -0.02 0.03 -0.03 0.01 0.02 0.03 0.06 -0.02 0.02 -0.03 0.00 0.01 -0.02 -0.02 -0.04 0.24 0.89 0.03 0.01 0.01 0.03 0.02 -0.00 -0.01 0.02 0.02 0.01 -0.00 0.00 -0.01 0.01 0.00 0.01 -0.01 -0.02 -0.01 0.00 0.02 0.00 0.01 -0.00 0.01 -0.02 0.01 0.01 -0.02 -0.03 -0.04 0.05 0.04 -0.00 -0.05 -0.04 0.04 -0.03 -0.02 -0.07 0.01 0.08 0.01 -0.00 -0.00 0.06 0.01 -0.04 -0.03 0.03 0.02 0.03 -0.03 0.01 -0.01 0.02 0.03 0.01 0.01 -0.01 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.02 0.00 -0.04 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.03 0.00 0.01 -0.16 -0.11 0.02 0.18 0.20 -0.04 0.12 -0.06 0.22 0.03 -0.05 -0.20 -0.21 -0.11 0.10 0.10 0.18 -0.11 -0.16 -0.01 -0.19 0.06 0.11 0.18 0.01 -0.20 0.24 0.01 -0.06 -0.18 0.16 0.14 0.05 -0.19 -0.16 -0.06 0.12 0.02 -0.11 0.10 0.07 -0.10 0.18 0.08 -0.14 0.11 -0.07 -0.05 -0.12 -0.24 0.10 -0.00 0.00 -0.00 -0.00 0.00 0.01 -0.04 0.08 0.20 -0.01 0.00 -0.00 -0.01 0.00 0.00 0.00 -0.00 -0.01 -0.05 0.01 -0.00 0.03 -0.02 0.01 -0.12 0.12 0.03 0.04 -0.02 -0.07 -0.03 -0.10 0.02 -0.07 0.19 -0.07 0.00 -0.01 -0.02 -0.02 0.03 0.03 -0.01 -0.03 -0.03 0.02 -0.01 -0.01 -0.04 -0.00 0.05 0.01 -0.00 -0.00 0.04 0.01 -0.02 -0.02 0.01 0.01 -0.15 0.14 -0.01 0.05 -0.11 -0.07 -0.09 -0.08 0.05 -0.04 -0.01 0.00 0.01 -0.00 0.02 0.00 0.02 -0.02 0.16 -0.10 0.17 0.03 -0.02 0.03 0.04 0.03 -0.05 -0.01 -0.01 0.00 0.27 -0.00 -0.01 -0.08 -0.05 0.01 0.09 0.10 -0.03 0.06 -0.03 0.12 0.02 -0.02 -0.09 -0.11 -0.06 0.04 0.05 0.09 -0.05 -0.08 -0.01 -0.09 0.03 0.06 0.09 0.01 -0.10 0.13 -0.01 -0.04 -0.08 0.08 0.07 0.03 -0.10 -0.08 -0.03 0.07 0.01 -0.06 0.08 0.03 -0.07 0.09 0.04 -0.07 0.05 -0.03 -0.02 -0.06 -0.12 0.05 0.03 -0.04 0.01 0.01 -0.02 -0.05 0.20 -0.32 -0.52 0.05 0.03 0.04 0.09 0.02 -0.03 -0.01 0.02 0.04 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.01 0.00 -0.00 0.00 -0.00 -0.01 0.01 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 -0.01 0.00 0.00 -0.00 -0.00 0.01 0.00 -0.01 -0.03 -0.01 0.06 0.03 0.02 -0.09 -0.04 0.02 -0.09 -0.04 -0.00 -0.01 0.00 0.00 0.00 0.00 -0.01 0.02 0.01 -0.01 0.08 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 0.00 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 -0.14 0.50 0.23 -0.12 0.50 0.26 -0.02 -0.00 -0.02 0.01 -0.01 0.00 0.02 -0.13 -0.07 0.10 -0.47 -0.25 0.00 -0.00 0.00 0.00 0.00 0.02 0.00 -0.01 0.01 -0.00 0.00 -0.01 0.00 0.01 -0.00 0.00 -0.01 0.00 -0.07 0.03 -0.08 0.06 -0.05 0.11 -0.06 -0.07 -0.07 0.03 0.06 -0.04 -0.03 -0.09 0.14 0.01 0.05 -0.02 0.03 0.10 -0.12 0.01 -0.05 0.03 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 0.01 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 0.10 0.06 -0.22 0.03 -0.07 0.05 0.07 0.14 0.01 -0.08 -0.06 0.24 0.11 0.11 0.08 -0.14 -0.02 -0.13 0.17 0.12 0.03 -0.14 -0.12 -0.12 -0.16 -0.13 0.08 0.12 0.03 0.19 -0.16 -0.15 -0.14 0.13 0.08 0.05 0.19 0.28 0.07 0.27 -0.12 -0.23 -0.23 -0.17 0.10 -0.02 0.12 -0.04 -0.03 0.08 -0.08 -0.00 0.00 0.00 0.00 -0.01 -0.00 -0.00 0.00 -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 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 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 -0.08 -0.04 -0.02 0.08 0.04 -0.00 -0.00 0.00 -0.01 0.08 0.04 0.02 -0.09 -0.04 0.00 0.01 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.12 0.46 0.21 0.09 -0.40 -0.20 -0.00 0.00 -0.00 0.09 -0.40 -0.20 -0.10 0.47 0.22 0.02 -0.06 -0.04 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.01 0.01 0.00 -0.00 0.00 0.00 -0.02 0.01 -0.00 0.06 -0.05 0.02 0.01 0.02 0.01 0.01 0.01 -0.03 0.00 -0.02 0.01 -0.02 -0.02 0.02 -0.02 -0.01 0.00 -0.03 -0.02 0.02 0.01 0.01 -0.00 0.02 0.01 -0.02 0.02 -0.02 -0.01 0.01 0.00 0.00 -0.06 -0.02 0.00 -0.07 -0.01 0.00 -0.16 -0.16 0.29 -0.20 0.11 -0.29 0.02 0.06 -0.02 0.02 -0.03 0.02 0.02 0.00 -0.04 0.35 0.09 0.02 0.02 0.00 0.00 -0.00 -0.01 -0.03 0.04 0.02 0.03 0.05 0.06 -0.03 -0.03 -0.01 -0.02 -0.02 -0.02 0.04 -0.02 0.00 -0.01 0.03 0.03 0.02 -0.05 -0.05 0.02 -0.04 -0.05 0.01 -0.01 -0.01 -0.02 -0.04 -0.04 -0.01 0.02 -0.00 0.04 0.03 0.00 -0.03 0.00 0.02 0.00 0.01 0.02 0.01 -0.01 0.01 0.01 0.05 0.07 -0.03 -0.11 -0.26 0.28 -0.19 0.09 -0.33 -0.00 0.08 -0.03 -0.00 0.10 0.10 0.01 0.12 0.00 0.40 -0.06 -0.05 0.00 -0.00 0.00 0.00 -0.01 0.00 0.01 -0.01 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.07 -0.10 -0.04 -0.07 -0.07 0.14 0.00 0.07 -0.04 0.08 0.11 -0.09 0.10 0.04 -0.01 0.12 0.09 -0.07 -0.07 -0.04 0.02 -0.10 -0.07 0.10 -0.02 0.02 0.00 -0.00 -0.00 -0.00 0.01 0.00 -0.00 0.01 0.00 0.00 -0.02 -0.02 0.03 -0.02 0.01 -0.03 -0.00 -0.00 0.00 -0.00 0.00 -0.01 -0.00 -0.01 0.01 0.04 0.01 0.00 -0.01 0.00 -0.00 -0.01 0.02 0.10 -0.20 -0.09 -0.13 -0.20 -0.24 0.14 0.09 0.02 0.10 0.12 0.08 -0.18 0.10 0.01 0.05 -0.11 -0.08 -0.12 0.20 0.20 -0.08 0.18 0.21 -0.05 0.05 0.05 0.08 0.17 0.18 0.03 -0.07 0.02 -0.18 -0.14 -0.03 0.14 -0.04 -0.11 0.03 -0.07 -0.13 -0.04 0.04 -0.06 -0.04 -0.25 -0.30 0.11 -0.01 -0.03 0.03 -0.02 0.01 -0.04 -0.00 -0.00 -0.00 -0.01 0.01 -0.00 -0.01 0.01 0.01 0.04 -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 -0.04 -0.00 -0.01 -0.02 -0.02 -0.00 0.00 -0.00 -0.01 0.07 0.04 -0.01 0.07 0.03 0.04 -0.09 -0.05 0.00 0.00 -0.00 0.01 0.01 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.01 0.00 -0.01 0.00 0.00 -0.00 -0.00 -0.01 0.00 -0.01 -0.01 0.00 0.01 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.01 0.01 0.01 0.01 -0.01 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.01 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.08 0.23 0.12 -0.05 0.17 0.07 -0.01 0.01 -0.01 0.10 -0.45 -0.22 0.07 -0.41 -0.21 -0.08 0.55 0.27 0.02 0.00 -0.00 0.01 -0.01 0.01 0.07 -0.08 -0.01 0.02 -0.02 -0.01 0.09 -0.03 0.01 -0.20 0.17 -0.08 0.02 0.01 -0.01 0.02 0.03 -0.02 -0.03 -0.01 0.00 -0.02 -0.02 0.02 -0.00 -0.03 0.02 -0.02 -0.03 0.01 0.01 0.02 -0.01 0.02 0.03 -0.02 -0.13 0.12 0.04 -0.04 0.01 -0.01 0.26 0.07 -0.00 0.28 0.05 0.00 -0.03 -0.05 0.10 -0.04 0.04 -0.10 -0.07 -0.21 0.06 -0.15 0.09 -0.25 -0.12 -0.14 0.25 0.06 0.01 -0.00 -0.09 0.01 -0.00 0.04 0.04 0.01 -0.01 0.02 -0.03 -0.00 0.00 -0.02 0.06 0.06 -0.01 -0.02 -0.02 -0.02 -0.04 -0.05 0.02 -0.04 -0.05 0.02 0.02 0.01 0.03 0.00 0.02 -0.00 -0.02 -0.03 0.04 -0.01 -0.01 0.04 -0.06 -0.04 -0.00 0.02 0.03 0.01 0.07 -0.01 -0.06 0.06 0.05 -0.03 0.02 -0.00 -0.01 0.03 0.02 -0.00 0.04 -0.06 0.13 0.04 0.08 -0.13 0.04 -0.27 0.12 -0.09 0.13 -0.30 -0.06 -0.17 0.29 0.05 0.03 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.01 -0.02 0.02 0.00 -0.00 0.00 0.01 0.01 -0.01 0.00 -0.02 0.02 -0.01 -0.03 -0.00 0.07 -0.06 -0.06 -0.01 0.10 0.01 -0.02 0.04 0.01 -0.05 -0.03 0.07 -0.03 0.02 0.08 -0.00 -0.00 -0.06 0.03 -0.01 -0.07 0.02 0.03 -0.03 -0.01 -0.00 0.00 0.00 0.02 0.00 -0.00 0.02 0.00 0.00 -0.00 -0.01 0.01 -0.00 0.00 -0.01 -0.00 -0.02 0.01 -0.01 0.01 -0.02 -0.01 -0.01 0.02 0.00 -0.00 -0.00 0.01 -0.00 0.00 -0.18 -0.18 -0.06 0.20 0.08 0.18 0.14 0.12 0.03 -0.31 -0.26 -0.05 -0.07 -0.03 0.12 0.14 0.21 -0.10 0.23 0.26 -0.05 -0.18 -0.13 -0.03 0.02 -0.11 0.10 0.01 0.01 -0.21 -0.03 -0.05 -0.15 0.25 0.15 0.12 0.03 -0.11 -0.12 -0.10 0.04 0.07 -0.18 -0.12 0.13 -0.11 0.02 0.05 0.03 0.10 -0.05 0.00 0.01 0.02 0.01 0.01 -0.01 0.01 -0.03 0.01 0.00 -0.00 -0.04 0.00 -0.02 0.02 -0.00 0.02 0.01 0.00 -0.00 0.00 0.01 -0.00 0.02 0.05 -0.06 -0.01 0.01 -0.01 -0.01 0.00 0.02 -0.01 0.01 -0.02 0.01 -0.02 -0.07 0.20 -0.10 -0.06 -0.09 0.07 0.10 -0.15 -0.00 0.02 -0.04 -0.01 -0.04 0.10 -0.01 -0.04 0.07 -0.02 0.02 -0.07 -0.02 0.01 -0.08 -0.09 0.09 0.03 0.00 -0.01 -0.01 -0.01 -0.00 -0.00 -0.01 -0.00 0.00 -0.00 0.01 -0.01 -0.00 -0.01 0.01 0.00 0.02 -0.01 0.01 -0.01 0.02 0.01 0.01 -0.02 0.01 0.00 0.00 -0.03 0.01 -0.00 0.09 0.01 0.21 -0.01 -0.04 0.19 -0.05 -0.03 -0.08 0.02 0.05 -0.05 0.15 0.17 -0.10 0.04 0.06 -0.14 0.14 0.12 0.00 0.22 0.19 -0.01 -0.15 -0.11 0.05 -0.02 -0.06 0.05 0.13 0.10 0.12 0.07 0.07 0.06 0.02 0.13 0.11 0.27 -0.10 -0.27 0.19 0.20 0.02 -0.16 -0.21 0.19 0.20 0.11 0.04 -0.02 -0.01 -0.03 -0.03 -0.01 0.02 -0.01 0.03 -0.01 -0.03 -0.01 0.05 -0.03 0.02 -0.04 0.01 -0.01 -0.00 -0.01 0.00 -0.00 -0.01 0.01 -0.00 -0.16 0.16 0.05 -0.04 0.04 0.01 -0.01 -0.05 0.02 -0.02 0.04 -0.02 -0.02 -0.04 0.08 -0.02 -0.03 -0.03 0.04 0.06 -0.05 -0.02 0.02 -0.01 -0.02 -0.05 0.03 0.01 -0.04 0.03 -0.00 0.05 -0.05 -0.02 0.02 -0.03 0.28 -0.27 -0.09 0.00 0.01 0.01 0.01 0.00 0.00 0.03 0.01 -0.00 0.02 -0.02 0.03 0.01 0.02 -0.03 -0.01 -0.03 0.01 -0.02 0.04 -0.08 -0.01 -0.05 0.09 -0.05 -0.01 -0.00 0.08 -0.02 0.01 0.14 0.09 0.11 -0.17 -0.16 0.04 -0.13 -0.09 -0.07 0.15 0.14 0.04 0.25 0.19 -0.04 -0.03 -0.04 -0.03 -0.04 -0.07 0.02 0.19 0.16 -0.03 -0.25 -0.12 -0.06 0.02 -0.00 0.09 0.10 0.10 0.13 -0.06 -0.00 -0.04 0.03 0.12 0.06 0.05 -0.04 -0.06 0.14 0.12 -0.04 -0.03 -0.12 0.07 0.05 -0.02 0.05 0.08 0.03 0.10 0.12 0.06 -0.09 -0.00 -0.04 -0.00 0.13 0.08 -0.18 0.13 -0.06 0.16 -0.05 0.00 -0.01 0.01 0.00 0.00 -0.00 0.00 -0.00 -0.02 0.02 0.01 -0.01 0.01 0.00 0.05 -0.02 0.01 -0.07 0.07 -0.03 0.00 0.00 0.01 0.00 -0.00 -0.01 0.01 0.01 0.01 -0.01 -0.00 -0.00 -0.02 -0.02 -0.01 0.01 0.01 -0.00 0.01 0.01 -0.01 -0.01 -0.00 0.01 0.06 -0.05 -0.02 -0.01 0.02 -0.00 0.08 0.02 -0.00 0.06 0.01 0.00 -0.04 0.03 -0.06 -0.04 -0.03 0.06 -0.02 -0.08 0.02 -0.01 -0.06 0.11 -0.02 0.05 -0.12 0.13 0.02 0.01 -0.05 -0.00 0.00 0.03 0.02 0.01 -0.04 -0.03 0.00 -0.03 -0.02 -0.02 0.03 0.03 0.01 0.06 0.04 0.01 -0.01 -0.01 0.01 -0.03 -0.04 -0.00 0.01 0.01 -0.01 -0.07 -0.04 -0.02 -0.01 -0.01 0.00 0.03 0.03 0.02 0.00 0.01 -0.01 0.03 0.02 -0.02 -0.01 0.01 0.01 0.00 -0.00 -0.00 0.00 -0.01 0.00 -0.02 -0.02 0.01 -0.29 -0.00 -0.22 -0.32 -0.19 0.21 0.14 -0.15 0.07 -0.35 -0.21 0.30 -0.36 0.09 -0.29 0.14 0.02 0.02 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.02 -0.02 -0.01 0.00 -0.01 -0.00 -0.01 0.01 -0.00 0.01 -0.01 0.01 0.10 0.07 0.04 -0.02 -0.01 -0.10 0.02 -0.01 0.10 -0.10 -0.06 -0.05 -0.10 -0.09 -0.03 0.16 0.12 -0.00 0.07 0.07 -0.03 -0.08 -0.08 0.09 -0.03 0.03 0.01 0.00 -0.00 -0.00 -0.01 -0.00 0.00 -0.01 -0.00 -0.00 0.00 -0.00 0.01 0.00 0.00 -0.01 0.00 0.01 -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 0.17 0.14 0.06 0.02 0.01 0.03 -0.15 -0.08 -0.15 0.01 0.03 -0.08 0.11 0.05 0.10 -0.08 -0.11 0.10 -0.25 -0.21 -0.07 -0.10 -0.10 -0.11 -0.27 -0.16 -0.10 -0.14 -0.10 0.00 0.28 0.27 0.07 0.21 0.21 -0.02 0.14 0.07 -0.12 0.01 0.09 0.01 -0.11 -0.13 0.04 -0.01 -0.05 0.01 -0.16 -0.19 0.09 0.03 -0.00 0.02 0.03 0.02 -0.02 -0.02 0.02 -0.01 0.03 0.02 -0.03 0.04 -0.00 0.03 -0.01 -0.01 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.01 0.01 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.15 0.12 0.03 -0.13 -0.10 -0.05 -0.13 -0.09 0.02 0.06 0.07 -0.03 0.06 0.01 0.04 -0.01 -0.01 -0.02 -0.02 -0.01 0.01 -0.00 0.00 -0.01 0.03 -0.03 -0.01 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.28 0.23 0.09 0.31 0.26 0.05 -0.26 -0.21 -0.08 -0.25 -0.21 -0.09 -0.27 -0.20 -0.02 -0.20 -0.17 0.02 0.14 0.14 -0.02 0.16 0.14 -0.02 0.15 0.12 0.05 0.08 0.05 0.10 -0.04 -0.03 -0.03 -0.05 -0.03 -0.04 -0.08 0.00 0.10 0.04 -0.03 -0.03 0.01 0.01 -0.01 -0.00 -0.01 -0.00 0.00 0.00 -0.00 -0.01 -0.00 -0.01 -0.01 -0.01 0.01 0.01 -0.01 0.00 -0.01 -0.00 0.01 -0.01 0.00 -0.01 0.01 -0.01 0.00 -0.00 0.00 -0.00 0.01 -0.00 0.01 -0.02 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 0.06 0.08 -0.06 -0.09 -0.03 -0.12 -0.11 -0.11 -0.02 0.13 0.07 0.09 0.07 0.07 0.06 -0.07 -0.04 0.01 -0.03 -0.04 0.01 0.03 -0.03 -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 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.02 -0.02 -0.01 0.08 0.09 -0.01 0.23 0.20 -0.02 0.13 0.13 -0.07 -0.26 -0.15 -0.15 -0.09 -0.02 -0.12 -0.14 -0.11 -0.05 -0.22 -0.19 -0.02 0.27 0.18 0.11 0.15 0.09 0.09 0.20 0.16 0.06 0.25 0.18 0.12 -0.18 -0.02 0.22 0.11 -0.11 -0.13 -0.02 -0.00 0.07 -0.09 -0.08 0.09 0.04 0.02 0.03 -0.01 -0.00 -0.01 -0.01 -0.01 0.00 0.00 -0.01 -0.00 -0.01 0.00 0.00 -0.01 0.00 -0.00 0.00 -0.00 -0.00 0.01 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.06 0.04 -0.01 -0.01 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 0.00 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 0.00 -0.03 -0.05 -0.00 -0.06 -0.03 0.06 0.09 0.03 -0.03 -0.09 0.01 -0.05 0.03 -0.01 0.01 -0.03 0.02 -0.05 0.06 0.04 -0.05 -0.02 -0.04 0.07 -0.12 -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 0.01 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 0.39 0.07 0.16 -0.29 -0.06 0.05 0.46 -0.21 0.10 -0.11 -0.03 -0.02 0.34 0.02 0.09 0.01 -0.22 0.45 0.01 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.09 0.00 0.01 0.00 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 0.00 0.00 0.01 -0.01 -0.00 -0.02 0.00 -0.00 -0.04 -0.03 0.02 -0.09 0.01 -0.03 -0.07 -0.03 0.03 0.07 0.00 0.01 0.03 -0.03 0.01 0.07 -0.01 0.05 -0.01 -0.01 0.02 -0.02 0.02 -0.05 -0.14 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 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.01 0.01 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.20 -0.03 -0.03 0.38 0.17 -0.15 0.60 -0.28 0.15 0.27 0.09 -0.05 -0.06 -0.01 -0.01 -0.05 0.16 -0.35 -0.00 -0.00 0.00 -0.00 0.01 -0.01 0.01 -0.01 -0.00 0.00 -0.00 0.01 -0.01 -0.00 0.00 0.01 0.00 -0.00 -0.03 0.04 -0.06 0.01 -0.05 0.07 -0.01 -0.07 0.02 -0.04 0.02 -0.10 -0.01 0.06 -0.00 0.02 -0.03 0.10 0.01 -0.06 0.04 -0.03 0.01 -0.07 -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 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.19 0.16 -0.11 -0.01 -0.05 0.01 -0.03 0.02 0.00 0.13 0.09 0.16 0.15 0.10 0.16 -0.12 -0.02 -0.07 -0.00 -0.02 -0.05 0.09 0.10 -0.13 -0.01 -0.13 0.10 0.31 0.24 -0.06 0.13 0.09 0.17 0.07 0.07 0.07 0.27 -0.07 -0.32 -0.22 0.01 0.21 0.17 0.18 0.01 -0.13 -0.19 0.14 0.16 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 0.01 -0.01 0.01 -0.01 -0.00 0.00 -0.00 0.01 -0.01 -0.00 0.00 0.01 0.01 -0.00 -0.02 0.03 0.08 0.04 0.00 -0.09 0.03 -0.03 -0.08 -0.00 0.01 0.11 0.01 0.09 0.05 0.01 -0.00 -0.11 -0.03 -0.08 0.03 0.01 0.01 0.07 -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 -0.01 -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 0.10 0.04 -0.04 -0.15 -0.19 0.12 -0.14 -0.05 -0.18 0.01 0.05 0.03 0.06 0.07 0.10 -0.27 -0.08 -0.22 -0.08 -0.12 0.14 0.04 -0.01 0.03 -0.14 -0.25 0.15 0.32 0.23 -0.09 -0.09 -0.03 -0.05 -0.13 -0.07 -0.17 0.20 -0.07 -0.22 0.01 -0.02 -0.03 -0.09 -0.14 -0.07 0.16 0.14 -0.15 -0.20 -0.16 -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 -0.02 -0.01 0.00 -0.01 0.01 0.00 0.09 -0.14 0.06 -0.01 0.00 -0.01 -0.35 -0.12 0.02 0.36 0.24 -0.06 0.01 -0.01 -0.00 -0.01 0.01 0.00 -0.01 0.02 0.00 0.01 -0.01 -0.00 0.00 -0.03 -0.00 -0.01 0.01 0.00 -0.00 0.02 -0.01 0.00 -0.00 -0.00 0.03 -0.02 0.01 0.00 0.34 -0.12 0.03 -0.02 0.01 -0.01 -0.02 -0.02 0.01 -0.00 0.01 -0.01 -0.01 0.01 -0.21 -0.12 0.03 -0.00 0.00 0.00 0.02 0.00 0.00 -0.01 0.00 -0.00 0.06 -0.07 0.04 -0.03 -0.02 0.03 0.02 0.04 -0.02 0.02 0.00 0.03 -0.01 -0.01 -0.03 -0.02 -0.01 -0.04 0.05 0.01 0.04 0.01 0.02 -0.01 -0.02 -0.01 0.02 0.03 0.06 -0.03 -0.07 -0.05 0.03 -0.00 -0.01 -0.02 0.01 -0.00 0.02 -0.02 0.04 0.04 0.04 -0.01 -0.04 -0.01 -0.01 0.01 -0.01 0.01 0.00 0.01 0.01 -0.01 0.04 -0.01 0.02 -0.04 -0.05 0.01 0.42 -0.43 0.15 0.03 0.01 -0.02 0.06 0.00 0.03 -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 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -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 0.01 0.01 -0.01 -0.00 -0.00 0.00 0.03 0.01 -0.02 -0.04 0.00 -0.02 0.00 -0.03 0.06 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.11 -0.00 -0.07 0.17 0.08 -0.09 -0.00 0.00 -0.00 0.38 0.18 -0.19 -0.48 0.03 -0.25 0.05 -0.29 0.59 -0.00 0.00 -0.00 -0.00 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 0.04 -0.07 0.00 -0.07 0.07 -0.00 -0.05 0.03 -0.02 0.07 -0.08 -0.00 0.01 -0.03 0.02 -0.08 0.08 0.00 -0.00 -0.00 0.00 0.05 -0.06 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.12 0.11 0.20 -0.07 0.04 -0.14 0.01 -0.11 0.15 0.14 0.10 -0.19 0.19 0.14 -0.10 -0.03 -0.09 0.06 -0.05 0.08 -0.18 0.01 0.04 0.25 -0.01 -0.00 -0.01 0.21 0.15 0.13 0.06 0.03 -0.24 0.03 -0.11 0.19 0.28 0.06 -0.24 -0.20 -0.05 0.20 -0.18 -0.12 0.14 -0.08 0.13 0.01 0.05 0.18 -0.13 0.02 0.00 0.01 0.02 0.01 -0.01 -0.00 0.00 0.00 -0.02 -0.01 0.01 -0.02 0.00 -0.01 -0.00 -0.00 0.01 -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 0.01 -0.01 -0.01 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.02 0.01 -0.00 -0.01 0.03 -0.01 0.00 0.00 -0.01 -0.06 0.00 -0.03 -0.04 -0.02 0.03 0.01 -0.00 0.00 0.05 0.02 -0.01 0.04 -0.00 0.02 0.01 -0.00 0.00 0.01 0.02 -0.01 0.00 0.00 0.01 -0.00 0.00 -0.00 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 -0.01 0.00 0.00 0.01 0.00 0.00 -0.00 0.01 0.00 0.00 0.00 0.00 -0.01 0.00 -0.00 0.01 0.01 0.00 -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 -0.43 -0.01 -0.23 -0.42 -0.21 0.23 0.01 -0.00 0.01 0.45 0.21 -0.22 0.38 -0.02 0.20 0.01 -0.01 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 0.01 -0.01 0.00 -0.01 -0.01 0.00 -0.03 -0.03 0.03 -0.00 -0.03 -0.04 -0.04 -0.00 -0.04 -0.04 0.01 0.04 -0.01 -0.07 0.02 0.03 -0.04 -0.05 0.02 0.04 -0.02 -0.02 0.03 0.03 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 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.01 0.01 -0.00 0.05 0.03 0.03 0.25 0.19 0.08 0.19 0.19 -0.04 0.02 0.04 0.04 0.09 0.08 -0.05 0.25 0.17 0.03 0.15 0.07 0.14 0.04 0.01 -0.05 0.31 0.24 0.05 0.05 0.02 0.13 -0.04 -0.01 0.08 0.03 0.10 -0.13 0.21 0.10 -0.14 -0.37 -0.07 0.38 0.05 -0.00 -0.10 0.10 -0.01 -0.05 -0.10 -0.13 0.06 0.02 0.00 0.01 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 -0.01 -0.00 -0.00 -0.01 0.01 0.00 0.08 -0.12 0.04 -0.00 0.00 -0.01 0.14 -0.28 0.11 -0.13 -0.13 0.04 0.01 0.01 -0.01 0.00 0.00 0.01 0.01 0.00 0.01 0.01 0.00 -0.01 0.00 0.01 -0.01 -0.00 0.00 0.01 -0.01 -0.00 0.01 -0.00 -0.00 -0.01 0.03 -0.03 0.01 -0.24 0.19 -0.06 -0.07 0.31 -0.12 -0.11 -0.02 -0.05 0.04 -0.00 0.03 -0.02 -0.00 0.01 0.05 -0.06 0.02 0.01 -0.01 0.03 0.02 0.02 -0.03 -0.02 -0.01 0.00 0.18 0.24 -0.08 -0.03 -0.02 -0.01 -0.05 -0.04 -0.02 -0.04 -0.04 0.00 -0.03 -0.03 -0.00 -0.04 -0.03 0.01 -0.05 -0.04 -0.00 -0.03 -0.02 -0.02 -0.02 -0.01 -0.01 -0.06 -0.04 -0.02 -0.03 -0.02 -0.03 -0.00 -0.00 -0.00 -0.01 -0.01 0.01 -0.04 -0.01 0.03 0.12 0.01 -0.12 0.00 0.01 0.01 -0.02 -0.01 0.01 0.02 0.01 -0.00 0.47 -0.02 0.26 0.12 0.03 -0.09 0.25 -0.13 0.10 -0.08 -0.06 0.07 -0.03 0.02 -0.05 -0.01 -0.05 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 -0.07 0.04 0.00 -0.00 -0.05 -0.02 0.03 -0.07 0.00 -0.01 -0.03 0.01 -0.04 0.03 -0.02 -0.05 0.04 -0.02 0.02 0.01 -0.01 0.05 -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 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.22 0.17 -0.10 0.13 0.02 0.14 -0.02 0.03 -0.08 0.30 0.27 0.14 0.06 0.03 0.18 0.12 0.17 -0.08 -0.04 -0.02 -0.01 0.29 0.24 0.10 0.22 0.12 0.08 -0.14 -0.09 -0.13 0.21 0.18 -0.10 -0.06 -0.12 0.07 -0.26 -0.05 0.23 0.01 0.05 -0.02 -0.13 -0.11 0.09 -0.03 0.12 -0.02 0.00 0.10 -0.11 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 0.00 -0.05 -0.05 -0.06 -0.01 0.01 -0.03 0.00 0.05 -0.03 -0.04 0.01 0.01 0.03 -0.05 0.00 -0.03 -0.04 -0.02 -0.03 0.04 -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 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.15 0.14 0.10 0.15 0.17 -0.07 0.30 0.21 0.13 0.16 0.13 -0.03 0.18 0.11 -0.01 0.01 -0.04 0.10 0.30 0.27 0.07 0.08 0.07 0.04 -0.23 -0.15 -0.09 0.11 0.10 -0.03 -0.02 0.00 0.04 0.19 0.19 -0.04 -0.06 -0.08 -0.02 0.32 0.08 -0.31 0.03 -0.02 -0.09 0.10 0.02 -0.06 -0.09 -0.09 0.03 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 0.01 -0.01 0.00 -0.00 0.01 -0.08 0.03 -0.02 0.05 -0.07 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 -0.11 -0.09 0.03 -0.15 -0.04 0.00 0.21 0.04 -0.00 0.04 -0.00 0.01 0.04 0.02 -0.01 0.03 0.08 -0.02 -0.05 0.01 -0.04 -0.04 -0.03 0.04 0.01 0.00 -0.00 0.07 0.09 -0.03 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 -0.00 0.01 0.01 0.00 -0.01 -0.00 0.00 -0.01 -0.01 0.00 0.01 0.00 -0.00 -0.01 -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 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.21 0.02 -0.12 -0.19 -0.11 0.12 0.75 -0.24 0.14 -0.18 -0.05 0.03 -0.22 -0.02 -0.05 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 -0.01 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.01 -0.01 0.01 -0.04 0.05 0.00 0.02 -0.05 -0.02 0.05 -0.03 -0.01 -0.05 0.04 0.01 0.02 -0.01 0.00 0.05 0.01 -0.04 -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 0.20 0.16 0.08 -0.18 -0.13 -0.06 -0.08 -0.13 0.08 0.05 0.04 -0.12 0.25 0.17 0.14 -0.14 -0.04 -0.12 0.06 0.10 -0.08 -0.20 -0.17 0.06 0.19 0.06 0.14 -0.07 -0.04 -0.13 -0.29 -0.25 -0.01 0.20 0.19 0.01 -0.29 -0.04 0.30 -0.16 0.03 0.14 0.08 0.07 -0.08 0.04 -0.08 -0.00 -0.03 -0.09 0.08 0.01 -0.00 0.01 -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 0.00 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 -0.03 -0.04 0.02 0.02 0.01 -0.03 -0.06 -0.04 0.00 0.04 0.04 0.02 -0.03 -0.01 -0.05 0.04 0.03 0.03 -0.02 -0.01 0.05 -0.01 -0.01 -0.03 0.00 -0.00 -0.00 -0.01 0.01 -0.00 0.00 -0.01 0.00 0.00 -0.01 0.02 -0.01 0.00 -0.01 0.00 0.00 -0.00 -0.00 0.01 -0.00 0.01 0.00 -0.00 -0.01 0.00 -0.00 0.00 -0.00 0.01 0.01 -0.00 0.00 0.09 0.06 0.05 0.22 0.19 0.05 -0.05 -0.04 -0.05 -0.09 -0.06 -0.02 0.35 0.25 0.06 0.22 0.15 0.06 -0.24 -0.22 -0.03 -0.21 -0.19 -0.06 0.17 0.12 0.01 0.11 0.10 -0.01 -0.14 -0.13 -0.02 -0.23 -0.20 -0.03 0.01 -0.04 -0.07 0.29 0.09 -0.27 -0.00 0.04 0.06 -0.08 -0.07 0.06 0.06 0.01 0.02 -0.02 0.00 -0.01 0.02 0.01 -0.01 0.01 0.00 -0.00 -0.02 -0.01 0.01 0.02 -0.00 0.01 -0.00 0.00 -0.01 -0.01 0.00 -0.00 -0.00 0.00 -0.00 0.04 -0.04 0.01 -0.00 0.00 -0.00 0.02 0.04 -0.01 -0.11 -0.01 -0.00 0.00 0.01 -0.00 -0.01 0.00 0.01 0.01 0.00 -0.00 -0.00 -0.01 -0.01 0.00 0.00 0.01 -0.01 -0.01 -0.01 -0.00 0.00 -0.01 -0.00 0.00 0.01 0.02 -0.01 0.01 -0.11 0.14 -0.04 0.04 -0.12 0.02 0.01 -0.13 0.28 -0.11 0.02 -0.10 0.09 0.06 -0.09 -0.02 0.08 -0.03 0.12 0.06 -0.08 -0.13 0.02 -0.09 0.01 -0.05 0.11 0.14 -0.06 0.03 -0.01 -0.00 -0.02 -0.07 -0.06 -0.01 -0.01 -0.01 0.01 0.04 0.03 -0.00 -0.07 -0.05 0.00 -0.04 -0.02 -0.02 0.05 0.05 -0.00 0.04 0.03 0.02 0.00 0.00 0.01 -0.04 -0.04 -0.00 -0.00 0.00 0.00 0.08 0.07 0.01 0.01 0.02 0.01 -0.04 -0.02 0.03 0.01 -0.00 -0.02 0.02 0.01 -0.01 -0.02 -0.01 0.00 -0.36 0.04 -0.23 0.31 0.18 -0.20 0.12 0.03 -0.00 -0.28 -0.11 0.13 0.36 -0.01 0.16 -0.01 0.05 -0.10 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.01 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.03 0.04 0.01 0.00 -0.01 -0.00 0.02 -0.01 -0.00 0.04 -0.04 -0.01 0.02 -0.04 -0.02 -0.01 0.01 0.00 -0.04 0.01 0.04 -0.03 0.03 0.01 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 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 0.07 0.06 -0.08 -0.06 -0.09 0.08 -0.14 -0.11 -0.04 0.15 0.12 0.04 -0.24 -0.17 -0.00 0.23 0.17 0.02 -0.17 -0.09 -0.14 0.14 0.12 0.14 0.08 0.10 -0.05 -0.05 -0.04 0.06 -0.32 -0.28 -0.10 0.33 0.27 0.10 0.23 0.04 -0.25 0.17 -0.01 -0.14 0.07 0.05 -0.06 0.03 -0.03 -0.01 -0.04 -0.08 0.06 0.00 -0.00 0.00 -0.01 -0.00 0.00 -0.00 0.00 -0.00 0.01 0.00 -0.00 -0.01 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.02 0.03 0.00 -0.01 0.01 0.01 0.01 0.01 -0.00 0.02 -0.02 -0.01 0.00 -0.01 -0.00 0.02 -0.02 -0.01 -0.02 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 -0.00 0.00 -0.18 -0.14 -0.10 0.14 0.09 0.08 -0.36 -0.31 -0.05 0.36 0.29 0.04 0.00 0.01 0.00 -0.06 -0.05 -0.01 0.32 0.29 0.03 -0.30 -0.26 -0.02 0.09 0.07 0.01 -0.09 -0.06 -0.00 0.11 0.09 0.07 -0.09 -0.06 -0.07 0.12 0.03 -0.12 0.07 -0.00 -0.06 -0.01 -0.02 -0.01 0.02 -0.01 -0.01 0.01 0.01 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -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 -0.01 0.02 -0.04 -0.02 -0.03 0.04 0.02 0.03 -0.01 0.00 0.02 0.03 0.02 0.00 0.03 0.01 0.03 -0.01 -0.04 -0.01 0.01 -0.01 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.28 -0.22 -0.06 0.41 0.33 0.09 -0.10 -0.04 -0.11 0.18 0.14 0.13 0.09 0.07 -0.09 -0.15 -0.15 0.05 -0.19 -0.15 -0.08 0.10 0.08 0.07 -0.25 -0.18 -0.03 0.07 0.05 -0.01 -0.22 -0.19 -0.08 0.10 0.07 0.05 -0.16 -0.03 0.17 -0.16 -0.02 0.14 0.02 0.03 -0.00 -0.02 -0.03 0.02 -0.01 -0.04 0.03 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.01 -0.00 -0.00 0.05 -0.00 -0.00 0.04 -0.00 0.02 -0.00 -0.01 -0.01 -0.02 -0.01 -0.02 -0.03 0.01 -0.00 -0.04 -0.02 -0.01 -0.03 0.01 0.03 0.00 0.00 0.02 0.01 -0.00 -0.00 -0.01 0.00 -0.00 0.00 -0.01 0.00 -0.00 0.00 -0.01 0.01 -0.00 0.00 -0.01 -0.00 0.00 -0.00 0.01 -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 -0.29 -0.24 -0.00 0.03 0.05 -0.05 -0.03 -0.00 -0.04 -0.15 -0.14 0.02 0.33 0.24 0.08 -0.31 -0.22 -0.07 -0.04 -0.05 -0.01 0.21 0.19 0.04 0.34 0.22 0.11 -0.17 -0.11 -0.07 0.08 0.07 -0.01 0.21 0.17 0.06 0.14 0.04 -0.12 0.13 0.04 -0.13 0.02 -0.01 -0.04 0.04 0.05 -0.04 -0.04 0.01 -0.02 -0.01 0.00 -0.01 0.01 0.00 -0.00 0.01 0.00 0.00 0.01 0.00 -0.00 -0.01 0.00 -0.00 0.00 -0.00 0.01 0.01 -0.00 0.00 0.00 -0.00 0.00 -0.05 0.04 -0.01 0.00 -0.00 0.00 -0.06 -0.08 0.03 0.15 0.01 0.01 0.01 0.00 0.00 0.01 0.00 0.01 -0.00 -0.01 -0.01 -0.00 -0.00 -0.01 -0.01 -0.00 -0.00 -0.01 -0.01 -0.00 -0.01 0.00 0.01 0.00 0.00 0.01 -0.01 0.01 -0.01 0.14 -0.12 0.05 -0.08 0.19 -0.08 0.04 -0.07 0.10 -0.17 0.00 -0.06 0.18 0.08 -0.07 0.05 -0.12 0.05 0.13 0.07 -0.08 -0.16 0.00 -0.06 0.01 -0.09 0.18 -0.17 0.12 -0.05 -0.05 -0.04 -0.01 -0.02 -0.02 -0.01 -0.04 -0.02 -0.01 -0.03 -0.03 -0.01 0.05 0.04 0.02 -0.01 -0.01 -0.01 0.01 0.01 0.00 0.03 0.03 0.01 0.08 0.05 0.02 -0.01 -0.00 -0.00 0.04 0.03 0.01 0.05 0.04 0.01 0.04 0.00 -0.05 0.05 0.01 -0.04 0.01 -0.00 -0.01 0.01 0.01 -0.01 -0.01 0.01 -0.01 0.38 -0.03 0.22 -0.37 -0.22 0.21 -0.23 -0.03 -0.02 -0.08 -0.03 0.04 -0.02 -0.01 0.01 -0.02 0.13 -0.27 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -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 0.03 0.06 0.04 0.02 -0.06 -0.01 -0.02 -0.00 -0.01 -0.03 -0.04 -0.03 -0.02 -0.06 -0.05 -0.02 0.04 -0.01 -0.01 0.01 0.00 0.03 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.01 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.01 0.00 0.00 -0.00 -0.11 -0.10 -0.05 -0.04 -0.03 0.03 -0.30 -0.24 -0.07 -0.15 -0.13 -0.03 0.05 0.05 -0.04 0.34 0.22 0.09 0.05 0.04 -0.01 0.01 0.03 0.02 -0.07 -0.05 -0.03 0.40 0.30 0.08 0.21 0.19 0.05 0.25 0.21 0.05 -0.22 -0.08 0.17 0.01 0.05 -0.00 0.04 -0.02 -0.06 0.07 0.07 -0.07 -0.04 0.05 -0.04 -0.02 0.00 -0.01 0.02 0.01 -0.01 0.00 -0.00 0.00 -0.01 -0.01 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 0.02 -0.01 0.00 -0.00 0.00 -0.00 0.02 0.03 -0.01 -0.05 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 0.01 -0.00 0.00 -0.05 0.04 -0.02 0.03 -0.08 0.04 -0.03 0.04 -0.06 -0.07 -0.01 -0.02 0.07 0.03 -0.03 -0.03 0.05 -0.02 -0.01 -0.01 0.02 0.01 -0.01 0.01 0.00 -0.03 0.07 0.06 -0.06 0.02 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.01 -0.01 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.02 0.01 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.01 -0.01 -0.00 0.02 0.02 0.00 0.01 0.01 0.00 0.01 0.01 0.00 -0.02 -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 0.50 -0.01 0.29 -0.41 -0.19 0.24 0.10 0.01 0.01 0.27 0.12 -0.13 -0.31 0.01 -0.15 -0.03 0.15 -0.31 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -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 -0.03 -0.03 0.01 -0.00 0.02 -0.02 -0.06 -0.05 -0.00 -0.08 -0.05 -0.02 0.08 0.07 0.01 0.03 0.00 0.01 -0.01 0.00 -0.03 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.29 -0.23 -0.06 -0.22 -0.18 -0.04 0.09 0.09 0.02 0.12 0.09 0.03 -0.04 -0.01 -0.01 0.02 -0.02 0.02 0.18 0.17 0.04 0.21 0.17 0.04 0.19 0.12 0.04 0.36 0.27 0.07 -0.25 -0.21 -0.06 -0.24 -0.21 -0.05 -0.12 -0.06 0.08 0.08 0.06 -0.06 -0.06 0.02 0.08 -0.06 -0.07 0.07 0.03 -0.08 0.06 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.03 0.03 -0.00 -0.09 -0.07 -0.02 0.04 0.04 0.00 0.10 0.09 0.02 -0.07 -0.04 -0.01 -0.06 -0.06 -0.00 0.02 0.00 0.01 0.03 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 -0.10 -0.07 -0.02 -0.07 -0.06 -0.02 0.28 0.22 0.06 0.25 0.22 0.07 -0.14 -0.08 -0.02 -0.14 -0.13 -0.01 -0.29 -0.25 -0.06 -0.29 -0.26 -0.07 0.18 0.12 0.04 0.25 0.19 0.05 0.19 0.16 0.05 0.18 0.16 0.05 -0.07 -0.04 0.03 0.06 0.03 -0.05 -0.08 -0.07 -0.03 -0.02 -0.03 0.07 -0.08 -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 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.01 -0.01 -0.01 -0.01 -0.01 -0.01 0.03 0.02 0.00 0.01 0.01 0.01 -0.03 -0.02 -0.00 0.02 0.02 -0.00 0.01 0.00 0.00 -0.09 -0.09 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 0.03 0.03 0.01 0.04 0.03 0.01 0.04 0.03 0.00 0.03 0.03 0.00 -0.09 -0.06 -0.01 -0.10 -0.08 -0.01 -0.02 -0.03 0.01 -0.03 -0.02 0.01 0.08 0.05 0.02 0.10 0.08 0.02 -0.04 -0.03 -0.03 -0.05 -0.03 -0.03 -0.03 -0.02 0.01 0.03 0.01 -0.02 0.49 0.22 -0.11 0.21 0.29 -0.41 0.25 0.49 -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 -0.09 -0.08 -0.02 0.06 0.05 0.01 0.11 0.08 0.02 -0.03 -0.02 -0.01 -0.08 -0.05 -0.01 0.00 0.00 0.00 0.01 0.01 0.01 0.02 0.02 -0.01 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.29 0.24 0.06 0.27 0.22 0.04 -0.16 -0.14 -0.03 -0.17 -0.14 -0.04 -0.30 -0.20 -0.03 -0.35 -0.27 -0.05 0.07 0.06 0.01 0.07 0.06 0.01 0.21 0.14 0.06 0.24 0.18 0.05 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.07 -0.05 -0.00 0.08 0.00 -0.04 -0.13 -0.05 0.03 -0.05 -0.07 0.10 -0.06 -0.13 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 -0.02 0.05 -0.02 0.00 -0.00 0.01 -0.16 0.07 -0.04 -0.02 -0.10 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 -0.01 0.02 -0.19 0.06 0.35 0.03 0.02 -0.12 -0.03 -0.00 -0.07 0.01 -0.03 -0.05 -0.03 0.04 -0.14 -0.01 -0.01 0.03 -0.01 0.04 -0.01 0.02 -0.05 0.02 0.00 0.00 0.10 0.20 -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 0.01 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.01 -0.00 -0.01 0.01 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.23 -0.02 0.12 0.21 0.11 -0.09 0.56 -0.34 0.15 0.17 0.05 -0.03 0.26 0.01 0.08 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 -0.01 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.01 -0.00 -0.00 0.00 0.00 0.00 0.01 0.01 0.00 0.00 0.00 -0.00 0.00 -0.01 -0.01 -0.00 -0.00 0.00 -0.02 -0.08 -0.01 0.00 0.00 -0.00 -0.00 -0.00 0.01 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -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 0.01 0.01 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.04 -0.02 0.02 0.01 -0.02 0.02 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.05 -0.04 0.04 0.01 -0.02 0.00 0.00 0.00 0.00 0.00 0.00 0.38 0.39 0.44 -0.20 0.65 -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 -0.01 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.01 0.03 -0.00 0.00 -0.01 0.00 0.01 -0.05 0.00 -0.00 0.01 -0.00 -0.01 0.03 -0.00 0.00 0.00 -0.00 -0.00 -0.01 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.02 0.03 0.02 0.01 -0.01 -0.02 0.00 -0.01 0.01 -0.01 0.00 -0.04 -0.01 0.00 0.04 0.01 0.00 0.00 -0.01 0.03 -0.01 0.02 -0.01 -0.01 0.02 0.04 0.02 -0.02 0.03 -0.11 0.19 -0.18 0.12 -0.07 -0.24 -0.04 0.03 0.10 0.05 -0.08 0.06 0.18 -0.29 0.29 -0.19 0.12 0.38 -0.05 0.08 -0.06 0.04 -0.03 -0.11 0.16 -0.09 -0.31 -0.14 0.24 -0.24 -0.00 -0.01 -0.01 0.00 -0.01 0.01 -0.05 0.05 0.15 0.03 0.04 -0.06 0.08 -0.09 0.11 -0.03 0.01 -0.05 0.03 0.03 -0.04 -0.02 -0.00 -0.00 0.08 0.05 -0.06 -0.08 0.02 -0.06 -0.01 0.07 -0.14 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.01 -0.00 0.00 0.00 -0.00 0.00 0.02 0.00 0.00 -0.01 0.02 -0.01 0.00 0.00 0.00 -0.00 -0.00 0.01 0.00 0.00 0.00 0.00 0.01 -0.02 -0.00 -0.00 0.00 -0.00 -0.01 0.02 -0.00 -0.00 0.00 -0.00 -0.00 -0.01 -0.00 0.00 -0.00 -0.01 -0.01 0.00 0.00 -0.00 0.02 -0.02 0.06 -0.12 -0.07 -0.04 0.05 0.08 -0.01 0.05 -0.02 0.04 -0.01 0.13 0.03 -0.00 -0.12 -0.02 -0.00 -0.01 0.04 -0.09 0.02 -0.05 0.02 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.02 0.06 -0.05 0.04 -0.02 -0.07 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.09 -0.15 0.15 -0.10 0.06 0.20 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.10 -0.06 -0.20 -0.09 0.15 -0.15 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.04 0.04 0.10 0.03 0.03 -0.04 0.06 -0.06 0.08 0.11 -0.05 0.16 -0.09 -0.10 0.15 0.06 0.01 0.00 -0.27 -0.16 0.22 0.28 -0.05 0.22 0.03 -0.24 0.49 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 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 -0.00 0.00 -0.02 -0.01 0.01 -0.05 -0.00 -0.00 0.01 0.01 -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 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.13 -0.09 -0.28 -0.12 0.22 -0.21 0.09 -0.13 0.13 -0.08 0.06 0.18 -0.14 0.12 0.41 0.18 -0.32 0.26 -0.03 0.04 -0.04 0.03 -0.02 -0.06 -0.15 0.26 -0.20 0.13 -0.09 -0.35 0.01 -0.00 -0.02 -0.01 0.02 -0.01 -0.01 -0.02 -0.03 -0.00 -0.04 0.03 -0.00 0.01 0.02 0.01 0.01 -0.01 0.01 -0.01 0.01 0.00 -0.00 0.00 -0.00 -0.00 0.01 0.00 0.00 -0.00 -0.01 -0.01 0.01 0.01 -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 0.03 -0.00 0.01 -0.04 0.00 -0.00 0.02 -0.00 -0.00 0.00 -0.00 0.01 -0.03 -0.01 -0.01 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 -0.01 0.01 0.01 0.00 -0.00 -0.01 0.00 -0.00 0.00 -0.00 0.00 -0.01 -0.00 0.00 0.01 0.00 0.00 0.00 -0.00 0.01 -0.00 0.00 -0.00 0.09 -0.08 -0.22 -0.10 0.16 -0.16 0.16 -0.26 0.25 -0.15 0.11 0.34 0.04 -0.04 -0.12 -0.05 0.09 -0.07 -0.00 0.02 -0.01 0.01 -0.00 -0.02 0.11 -0.22 0.17 -0.12 0.06 0.28 0.16 -0.07 -0.28 -0.11 0.22 -0.21 0.01 0.01 0.02 -0.00 0.02 -0.01 -0.07 0.08 0.21 0.06 0.07 -0.10 0.12 -0.12 0.17 -0.01 0.00 -0.01 0.01 0.01 -0.01 -0.01 -0.00 -0.00 0.02 0.01 -0.02 -0.02 0.00 -0.02 -0.00 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 0.04 -0.00 -0.01 0.01 0.00 0.01 -0.01 -0.00 0.01 -0.04 0.00 0.01 -0.04 0.01 0.01 -0.01 -0.00 -0.00 -0.00 0.01 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 0.14 -0.10 -0.31 -0.14 0.23 -0.22 -0.03 0.06 -0.05 0.04 -0.02 -0.07 -0.05 0.03 0.12 0.05 -0.10 0.08 0.12 -0.19 0.19 -0.12 0.08 0.25 0.12 -0.25 0.18 -0.14 0.07 0.31 -0.10 0.02 0.14 0.04 -0.13 0.10 -0.00 0.01 0.02 -0.00 0.01 -0.01 0.10 -0.09 -0.26 -0.10 -0.08 0.15 -0.18 0.14 -0.23 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.01 -0.02 -0.00 0.00 0.00 0.00 0.03 -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 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -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 0.01 -0.01 0.01 0.00 -0.01 0.01 -0.00 0.01 0.01 0.00 -0.00 -0.01 -0.01 0.01 -0.01 0.02 0.02 0.00 -0.02 -0.02 -0.02 -0.01 0.02 -0.01 0.01 -0.00 -0.02 -0.01 -0.03 0.01 0.01 0.04 -0.04 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.32 0.32 0.23 -0.46 0.52 0.11 -0.38 -0.24 -0.19 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.01 -0.01 0.00 0.00 -0.01 0.04 -0.00 0.01 -0.04 0.01 -0.00 0.03 0.00 0.01 -0.03 -0.01 -0.01 -0.02 -0.00 -0.00 -0.00 -0.01 -0.00 -0.03 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.02 -0.01 -0.03 -0.01 0.03 -0.03 -0.13 0.21 -0.20 0.13 -0.09 -0.28 -0.10 0.08 0.27 0.13 -0.21 0.18 -0.11 0.15 -0.16 0.10 -0.08 -0.21 0.10 -0.21 0.15 -0.12 0.05 0.26 -0.02 0.06 0.09 0.08 -0.04 0.07 -0.01 0.00 0.01 -0.00 -0.00 -0.00 -0.08 0.14 0.32 0.08 0.13 -0.16 0.18 -0.18 0.24 -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 -0.01 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 -0.01 0.04 -0.01 -0.01 0.00 0.00 -0.01 0.04 0.01 0.01 -0.02 -0.00 -0.01 0.02 -0.01 0.01 -0.05 0.00 0.00 0.00 -0.01 -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 0.12 -0.08 -0.24 -0.11 0.19 -0.18 -0.02 0.03 -0.03 0.02 -0.01 -0.04 0.10 -0.08 -0.28 -0.13 0.22 -0.18 0.08 -0.13 0.12 -0.08 0.05 0.16 -0.07 0.14 -0.10 0.08 -0.04 -0.17 -0.13 0.12 0.31 0.17 -0.21 0.23 0.01 -0.00 -0.01 0.00 0.00 0.00 -0.09 0.11 0.28 0.07 0.10 -0.14 0.16 -0.16 0.22 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 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 0.00 0.01 -0.04 -0.00 0.01 -0.03 0.00 0.01 -0.04 0.00 0.01 -0.01 -0.00 0.01 -0.04 -0.00 -0.00 -0.00 -0.01 -0.00 -0.01 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.14 0.10 0.30 0.14 -0.23 0.22 0.14 -0.23 0.21 -0.14 0.09 0.29 -0.08 0.06 0.22 0.10 -0.17 0.14 0.13 -0.20 0.20 -0.13 0.08 0.26 0.04 -0.09 0.06 -0.05 0.02 0.11 -0.10 0.09 0.22 0.12 -0.16 0.17 -0.01 -0.00 0.00 -0.00 -0.00 -0.00 -0.04 0.05 0.14 0.03 0.05 -0.07 0.08 -0.08 0.11 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.01 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.01 -0.00 -0.00 0.00 -0.00 0.00 0.02 -0.02 0.01 0.02 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 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.04 -0.04 0.01 -0.07 0.05 -0.02 0.14 0.03 0.00 -0.06 0.03 -0.08 -0.06 -0.05 0.09 0.00 0.05 -0.02 -0.11 -0.06 0.09 -0.12 0.03 -0.10 0.10 0.01 0.02 0.00 -0.09 0.03 0.01 -0.00 -0.01 -0.01 0.01 -0.01 -0.00 0.00 -0.00 0.00 -0.00 -0.01 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.43 0.02 0.17 0.40 0.15 -0.15 0.05 0.04 -0.01 0.40 0.17 -0.18 0.43 -0.00 0.17 0.12 0.04 -0.04 0.01 -0.00 0.00 -0.00 0.00 -0.00 -0.02 -0.01 0.01 -0.00 0.01 -0.03 -0.05 0.11 -0.04 -0.04 -0.14 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 0.03 -0.03 0.03 0.07 0.26 -0.08 -0.06 -0.32 0.12 0.09 0.05 -0.03 -0.06 0.01 -0.05 0.04 -0.01 0.03 0.15 -0.24 0.09 -0.05 -0.05 0.08 -0.10 -0.01 -0.02 0.05 0.05 -0.07 -0.07 0.34 -0.12 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.01 -0.00 0.00 -0.00 -0.01 -0.00 -0.00 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 -0.01 0.00 -0.00 -0.00 -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 0.00 0.00 0.00 -0.00 0.29 0.02 0.15 0.07 0.01 0.04 -0.44 0.00 -0.02 0.19 0.06 -0.03 0.24 -0.03 0.16 0.08 -0.07 0.19 0.01 -0.00 0.00 0.00 -0.00 0.00 -0.02 -0.01 0.00 0.00 -0.01 0.02 0.16 -0.03 0.02 -0.14 -0.08 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 -0.03 0.03 -0.02 0.50 0.10 -0.01 -0.24 -0.03 -0.00 0.06 0.04 -0.07 0.03 -0.02 0.05 -0.05 -0.03 0.06 -0.45 0.03 -0.04 0.01 0.04 -0.07 -0.02 0.03 -0.06 0.01 -0.06 0.12 0.13 0.06 -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 0.01 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.11 -0.02 -0.02 0.14 0.04 -0.05 0.33 -0.37 0.13 -0.09 -0.00 -0.02 0.06 0.03 -0.03 -0.02 0.08 -0.18 -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 0.03 -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 0.01 -0.01 0.01 -0.12 0.01 -0.01 0.06 -0.05 0.04 -0.04 0.13 -0.25 0.12 -0.06 0.17 -0.07 -0.09 0.16 0.12 -0.03 0.02 0.04 0.10 -0.18 -0.08 0.07 -0.18 0.03 -0.15 0.32 -0.03 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 -0.33 -0.04 -0.06 0.27 0.07 -0.01 -0.12 0.09 -0.03 -0.23 -0.02 -0.06 0.23 0.07 -0.04 -0.03 0.22 -0.45 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.01 -0.01 0.01 -0.01 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -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 0.03 0.02 -0.01 -0.21 -0.05 0.00 0.29 0.02 0.08 0.28 0.09 -0.08 -0.03 0.01 -0.00 -0.26 -0.08 0.06 -0.27 -0.02 -0.06 0.13 0.03 -0.00 0.01 -0.01 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.35 0.04 -0.27 -0.29 -0.17 0.24 0.03 -0.02 0.01 0.21 0.14 -0.20 0.23 -0.06 0.21 0.15 0.03 0.01 -0.00 0.00 -0.00 -0.01 0.01 -0.01 -0.01 0.02 -0.04 -0.03 0.11 -0.54 0.01 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.01 -0.00 0.00 0.00 -0.00 -0.01 0.00 0.02 -0.00 -0.00 -0.00 0.05 -0.17 0.78 0.03 -0.04 0.04 -0.01 0.02 -0.01 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.04 0.02 -0.01 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.01 -0.02 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 -0.01 -0.01 -0.01 -0.01 -0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.02 0.06 -0.02 0.06 0.01 -0.02 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.04 -0.05 -0.14 0.08 -0.05 -0.02 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 0.06 -0.02 0.02 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.01 -0.00 0.01 -0.02 0.00 -0.00 0.00 0.00 -0.02 0.06 -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 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.04 -0.06 0.03 -0.07 0.06 0.09 -0.09 0.07 0.11 0.11 -0.15 0.08 -0.03 0.05 -0.02 0.02 -0.02 -0.03 0.34 -0.28 -0.43 -0.37 0.50 -0.29 0.00 0.00 0.00 0.00 -0.00 0.00 0.08 -0.10 0.06 -0.07 0.06 0.09 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.03 -0.04 0.03 -0.04 -0.02 -0.05 -0.03 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 -0.00 -0.00 -0.00 0.00 0.00 -0.02 0.01 -0.02 0.05 -0.00 0.01 -0.01 -0.00 0.00 0.01 -0.00 -0.00 0.00 0.00 0.00 -0.03 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.10 -0.14 0.08 -0.12 0.11 0.17 0.29 -0.24 -0.38 -0.35 0.48 -0.26 0.06 -0.09 0.04 -0.02 0.03 0.04 0.06 -0.05 -0.08 -0.03 0.03 -0.02 0.01 -0.01 -0.02 -0.01 0.02 -0.01 0.14 -0.19 0.11 -0.17 0.14 0.21 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.02 -0.01 -0.03 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -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 -0.05 -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 -0.01 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 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.21 -0.30 0.16 -0.35 0.31 0.47 0.06 -0.05 -0.08 0.03 -0.04 0.03 -0.06 0.09 -0.04 0.06 -0.06 -0.09 -0.03 0.02 0.04 -0.02 0.03 -0.02 0.03 -0.03 -0.05 -0.01 0.02 -0.01 -0.20 0.27 -0.16 0.24 -0.20 -0.30 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.02 0.03 -0.02 0.06 0.04 0.07 0.02 -0.02 -0.03 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.02 -0.00 0.01 -0.01 0.01 -0.03 0.04 0.00 0.00 -0.02 -0.00 0.00 0.00 0.00 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 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.11 -0.16 0.09 -0.12 0.10 0.16 -0.07 0.06 0.09 0.11 -0.16 0.09 -0.29 0.46 -0.20 0.14 -0.14 -0.22 -0.12 0.10 0.15 0.10 -0.14 0.08 0.01 -0.01 -0.01 0.02 -0.03 0.01 0.21 -0.29 0.17 -0.23 0.19 0.29 0.00 -0.01 0.00 -0.00 -0.00 -0.01 -0.00 0.00 -0.00 -0.04 -0.02 -0.04 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 -0.02 0.01 0.02 0.01 -0.02 0.02 0.02 -0.03 0.03 -0.01 0.01 0.01 -0.00 0.00 -0.00 0.00 -0.01 0.02 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 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 0.21 -0.19 -0.29 0.04 -0.04 -0.05 -0.21 0.30 -0.17 -0.33 0.51 -0.23 0.11 -0.11 -0.17 0.13 -0.10 -0.16 -0.02 0.03 -0.01 -0.01 0.01 0.02 0.04 -0.05 0.02 -0.15 0.20 -0.12 0.12 -0.10 -0.16 0.01 -0.01 0.00 -0.01 -0.00 -0.01 -0.00 0.01 -0.00 0.03 0.02 0.04 0.01 -0.01 -0.01 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.01 -0.02 0.02 0.02 0.00 -0.01 0.01 0.05 -0.05 -0.01 -0.00 0.00 -0.00 -0.03 0.03 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 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.08 0.12 -0.07 0.07 -0.06 -0.09 0.22 -0.18 -0.30 0.07 -0.10 0.07 -0.06 0.10 -0.04 0.01 -0.01 -0.02 -0.27 0.22 0.37 -0.28 0.39 -0.24 -0.01 0.01 0.02 0.01 -0.02 0.01 0.16 -0.22 0.14 0.16 -0.13 -0.22 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.03 0.05 -0.03 0.01 0.00 0.01 -0.02 0.02 0.03 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -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 -0.01 0.00 0.00 0.00 -0.03 -0.03 0.03 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.01 0.01 -0.01 0.01 -0.01 -0.02 -0.02 0.02 0.03 0.01 -0.02 0.01 0.01 -0.02 0.01 -0.00 0.00 0.01 0.04 -0.03 -0.05 -0.03 0.03 -0.02 -0.01 0.01 0.02 0.00 -0.01 0.00 0.04 -0.05 0.03 -0.05 0.04 0.06 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.31 0.45 -0.25 0.30 0.19 0.35 0.34 -0.27 -0.42 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -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 -0.01 0.01 0.01 -0.00 0.00 -0.00 0.02 -0.01 -0.07 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.02 0.03 -0.02 -0.05 0.04 0.07 0.02 -0.02 -0.03 0.00 -0.00 0.00 0.04 -0.07 0.03 0.08 -0.08 -0.14 0.01 -0.01 -0.01 0.01 -0.02 0.01 -0.43 0.39 0.72 0.15 -0.22 0.08 -0.01 0.02 -0.01 -0.01 0.00 0.01 0.03 -0.04 0.02 -0.05 -0.02 -0.06 0.01 -0.02 0.01 -0.01 -0.00 -0.01 -0.01 0.01 0.01 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.02 0.03 -0.01 0.04 -0.04 -0.02 0.00 0.00 -0.01 0.01 -0.01 -0.01 0.00 -0.00 -0.01 -0.03 0.04 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 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.24 -0.35 0.20 0.06 -0.05 -0.09 -0.28 0.23 0.39 -0.17 0.25 -0.15 0.05 -0.08 0.03 -0.06 0.06 0.10 -0.07 0.06 0.09 -0.03 0.04 -0.03 -0.04 0.04 0.07 0.01 -0.01 0.00 0.21 -0.29 0.18 0.18 -0.15 -0.25 0.00 -0.01 0.00 -0.00 -0.00 -0.01 -0.05 0.07 -0.04 -0.00 -0.01 -0.01 -0.05 0.04 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 0.03 -0.04 0.00 0.01 -0.01 -0.00 -0.02 0.02 0.02 -0.02 0.02 0.01 -0.00 -0.00 0.01 -0.03 0.04 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 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.28 0.40 -0.24 -0.14 0.12 0.21 -0.04 0.03 0.05 -0.06 0.08 -0.05 0.02 -0.03 0.02 0.17 -0.17 -0.30 0.13 -0.11 -0.18 0.12 -0.16 0.10 0.05 -0.04 -0.08 -0.04 0.06 -0.02 0.20 -0.28 0.17 0.19 -0.16 -0.26 -0.00 0.00 -0.00 0.01 0.00 0.01 -0.07 0.10 -0.06 0.00 -0.00 -0.00 -0.08 0.06 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 -0.01 0.01 -0.00 -0.03 0.03 0.01 0.03 -0.03 -0.03 -0.03 0.03 0.01 -0.00 0.01 -0.01 -0.02 0.03 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 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.09 -0.13 0.08 0.04 -0.04 -0.06 0.18 -0.15 -0.25 0.17 -0.24 0.14 -0.09 0.14 -0.07 -0.23 0.22 0.39 0.19 -0.15 -0.26 0.18 -0.25 0.15 -0.03 0.03 0.05 0.08 -0.13 0.05 0.14 -0.19 0.12 0.13 -0.11 -0.18 -0.01 0.02 -0.01 -0.00 -0.00 -0.00 -0.07 0.10 -0.06 0.00 -0.00 -0.00 -0.07 0.06 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 0.01 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 0.03 -0.04 -0.01 0.02 -0.02 -0.01 0.03 -0.04 -0.03 0.01 -0.01 -0.00 -0.01 0.02 -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 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.20 0.30 -0.17 -0.18 0.16 0.26 -0.13 0.11 0.19 -0.12 0.17 -0.10 -0.14 0.23 -0.11 -0.25 0.24 0.43 -0.07 0.05 0.09 -0.06 0.09 -0.05 -0.00 0.01 -0.00 0.18 -0.28 0.12 -0.03 0.04 -0.02 -0.03 0.02 0.04 -0.08 0.12 -0.06 0.04 0.02 0.05 0.03 -0.04 0.02 -0.00 0.00 0.00 0.03 -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 -0.01 -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 0.01 0.00 -0.00 0.00 0.00 -0.01 0.01 0.01 -0.00 0.00 0.00 -0.01 0.02 -0.01 -0.00 0.00 0.00 0.00 -0.06 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.05 -0.08 0.05 0.04 -0.04 -0.06 0.02 -0.02 -0.03 0.02 -0.03 0.02 0.05 -0.09 0.04 0.09 -0.09 -0.15 0.01 -0.01 -0.01 0.01 -0.01 0.01 0.01 -0.01 -0.02 0.13 -0.19 0.08 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.38 0.62 -0.29 0.32 0.14 0.36 -0.00 0.01 -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 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.01 -0.01 -0.00 -0.00 0.00 -0.00 0.02 -0.02 -0.00 0.00 0.00 0.00 0.06 -0.06 -0.01 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.01 0.01 -0.01 -0.00 0.00 0.01 -0.01 0.01 0.02 -0.01 0.02 -0.01 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.04 0.03 0.05 -0.04 0.05 -0.03 0.00 -0.00 -0.00 0.01 -0.01 0.00 -0.11 0.16 -0.10 -0.11 0.09 0.15 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.34 0.50 -0.30 -0.00 -0.02 -0.02 -0.37 0.28 0.47 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.01 -0.00 0.00 -0.00 -0.04 -0.02 -0.08 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.04 -0.05 0.03 -0.04 0.03 0.05 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.17 -0.27 0.13 0.51 0.34 0.59 -0.23 0.16 0.25 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -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 0.02 -0.02 -0.01 0.00 -0.00 -0.00 0.05 -0.06 0.00 0.00 -0.00 -0.00 -0.01 -0.02 -0.01 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.04 0.06 -0.04 -0.04 0.03 0.05 -0.01 0.01 0.02 -0.01 0.01 -0.01 -0.09 0.14 -0.07 -0.10 0.10 0.17 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.14 0.13 0.26 -0.42 0.65 -0.29 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.09 0.15 -0.08 0.18 0.09 0.21 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 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 -0.07 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 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.01 -0.01 0.01 0.01 -0.01 -0.01 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.01 0.07 -0.11 0.05 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.26 -0.45 0.20 0.51 0.26 0.57 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.01 -0.01 0.01 -0.01 0.02 0.00 -0.00 0.00 0.02 -0.01 0.03 0.02 0.03 -0.04 -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 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.07 -0.07 0.12 -0.14 0.07 -0.21 0.00 0.00 -0.00 -0.23 0.12 -0.33 -0.28 -0.30 0.50 0.54 0.10 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 -0.01 -0.01 0.02 0.01 -0.01 0.02 0.00 -0.00 0.00 -0.03 0.02 -0.05 0.02 0.02 -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 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.14 0.16 -0.27 -0.16 0.08 -0.24 0.00 0.00 -0.00 0.38 -0.19 0.55 -0.23 -0.25 0.41 -0.14 -0.02 -0.01 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.02 -0.02 0.03 -0.03 0.01 -0.04 -0.00 0.00 -0.00 -0.01 0.01 -0.02 -0.00 -0.00 0.01 -0.06 -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 0.19 0.21 -0.35 0.30 -0.15 0.43 -0.00 -0.00 0.00 0.12 -0.06 0.18 0.03 0.04 -0.07 0.65 0.12 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 0.02 0.02 -0.04 -0.03 0.02 -0.05 0.00 0.00 -0.00 -0.01 0.00 -0.01 0.02 0.02 -0.03 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 -0.24 -0.26 0.43 0.37 -0.18 0.53 -0.00 -0.00 0.00 0.11 -0.06 0.16 -0.18 -0.19 0.32 -0.18 -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 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.02 0.02 -0.04 0.02 -0.01 0.02 0.00 -0.00 0.00 -0.02 0.01 -0.04 -0.01 -0.01 0.02 -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 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.25 -0.27 0.45 -0.17 0.09 -0.25 0.00 0.00 -0.00 0.27 -0.14 0.39 0.14 0.15 -0.25 0.44 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 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 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 0.02 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 0.44 0.86 -0.25 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 17 16 8 8 7 7 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 40 41 42 43 44 45 46 47 48 17 16 8 8 7 7 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 34.96885 31.97207 15.99491 15.99491 14.00307 14.00307 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 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 1.00783 1.00783 1.00783 378.11688 0.9999 0.01429 -7.1E-4 -0.01428 0.99986 0.00879 8.3E-4 -0.00878 0.99996 asymmetric 1 0.01724 0.00419 0.00357 0.35928 0.08733 0.07430 1018823.4 25.15 28.19 52.36 69.96 76.95 87.70 90.28 101.79 120.69 137.49 158.03 166.35 185.38 221.25 242.18 247.29 262.67 290.70 324.27 331.31 367.11 381.21 395.14 420.63 439.36 480.31 551.71 587.19 597.38 657.34 676.40 691.05 699.87 736.88 769.41 809.32 862.59 904.28 909.97 931.45 942.23 994.92 1025.89 1066.20 1073.10 1076.90 1097.86 1120.08 1145.59 1183.24 1224.11 1238.76 1242.17 1299.58 1332.39 1339.72 1344.65 1370.13 1406.41 1439.44 1458.20 1458.54 1466.89 1470.01 1482.72 1505.95 1511.19 1522.48 1524.81 1539.16 1545.54 1592.21 1602.19 1627.58 1633.99 1660.61 1706.33 1736.57 1739.91 1759.58 1765.62 1808.40 1826.17 1845.49 1869.19 1883.74 1887.86 1904.70 1912.11 1924.75 1927.99 1936.37 1954.28 1966.04 1996.05 2017.94 2024.22 2028.96 2041.79 2086.05 2117.93 2119.31 2121.39 2124.04 2133.63 2137.43 2144.13 2154.95 2162.15 2193.54 2231.19 2311.81 2326.95 2359.71 2497.67 4301.61 4307.27 4315.39 4317.58 4320.04 4327.93 4329.91 4334.59 4345.75 4361.86 4374.81 4390.48 4402.41 4415.99 4421.05 4427.48 4485.02 4561.43 4571.73 4586.90 4595.21 4601.92 4636.25 0.388049 0.413241 0.414185 0.329711 -1856.206665 -1856.181473 -1856.180529 -1856.265003 259.313 93.320 177.791 0.000 0.000 0.000 0.889 2.981 43.683 0.889 2.981 36.176 257.535 87.359 97.932 1 0.593 1.986 6.901 2 0.593 1.986 6.675 3 0.594 1.982 5.446 4 0.595 1.978 4.872 5 0.596 1.976 4.684 6 0.597 1.973 4.426 7 0.597 1.972 4.369 8 0.598 1.968 4.132 9 0.601 1.960 3.798 10 0.603 1.952 3.543 11 0.606 1.941 3.272 12 0.608 1.936 3.172 13 0.611 1.924 2.963 14 0.619 1.898 2.625 15 0.625 1.881 2.454 16 0.626 1.877 2.415 17 0.630 1.864 2.302 18 0.639 1.837 2.114 19 0.650 1.802 1.915 20 0.652 1.795 1.877 21 0.666 1.754 1.695 22 0.671 1.737 1.629 23 0.677 1.720 1.567 24 0.688 1.688 1.460 25 0.696 1.664 1.387 26 0.715 1.608 1.241 27 0.753 1.505 1.026 28 0.773 1.453 0.933 29 0.779 1.437 0.908 30 0.815 1.346 0.775 31 0.827 1.316 0.737 32 0.837 1.294 0.709 33 0.842 1.280 0.693 34 0.867 1.223 0.628 35 0.890 1.173 0.577 36 0.918 1.112 0.519 37 0.958 1.033 0.450 0.681636e+27 26.833552 61.786538 0.131219e+12 11.117997 25.600135 0.100000e+01 0.000000 0.000000 0.288997e+09 8.460893 19.481926 0.179747e+08 7.254662 16.704477 ./ancestor::cml:module[@dictRef='cc:finalization']/cml:molecule[@id='mol9999'] -5.4448 5.5200 -1.7093 7.9396 -173.4778 -168.2991 -165.3076 15.4002 -8.4439 1.5830 -4.4497 0.7290 3.7206 15.4002 -8.4439 1.5830 -46.2036 104.3770 -1.7903 -55.6985 109.3072 -32.7813 4.6503 -3.4615 15.2781 4.0195 -15490.7825 -3394.5678 -734.2733 341.8620 -120.5303 48.5811 34.0762 -4.5294 -8.1409 -3256.1982 -2646.7848 -688.1122 55.5233 -40.6291 -8.0028 (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A) (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(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 -1856.5947145 1.832E-9 3.289E-6 0.3880493 0.4132413 -1856.1814732 -1856.180529 -1856.2650031 -11.1048782,7.7129742,3.3919041,9.107129,0.3801594,1.0462636 C01 [X(C19H23Cl1N2O2S1)] 2.7450364 -1.4370004 0.3965793 -1.178945 -0.4303327 -0.0313278 -0.4192506 -0.2281483 -0.0033451 -0.0157173 -0.0157302 -0.0715117 -0.7265456 0.2771996 -0.1181998 0.3915669 -0.3013409 0.0601436 -0.0091545 -0.0373394 -0.0378344 -2.3238217 0.7342058 -0.967415 0.7178307 -0.7622954 0.1705808 -0.995204 0.2918294 -1.0977404 -1.0602142 0.4026074 0.1446953 0.4029166 -0.7651825 -0.3928838 0.1733583 -0.3362016 -1.2254642 -0.1809464 -0.5003634 0.0673102 0.2946969 -0.2045566 0.0376004 -0.0524232 0.0026266 -0.3014701 -0.8573923 0.1787481 -0.067601 -0.6889564 -0.4778701 0.0071396 0.0903511 0.0587697 -0.2479114 0.1518239 -0.0561413 0.0828197 -0.0710645 0.074892 0.0031255 0.0609568 0.0014094 0.1832291 0.1816088 -0.1018473 0.0673727 -0.1123265 0.0863989 0.0152867 0.0826686 0.0189247 0.1406541 0.1780216 -0.1353082 0.0629787 -0.1283905 0.0742892 0.0003038 0.0780684 0.0102178 0.0804082 0.1731418 -0.0938957 0.080746 -0.0965271 0.0730378 0.0097119 0.0910386 0.0335509 0.1564514 0.0690326 -0.0329671 -0.0057072 0.0158908 0.0384284 -0.0003161 -0.1336593 -0.0701525 0.0363988 0.1946951 -0.0449555 0.0384917 -0.060213 0.1242193 0.0113698 0.0338537 -0.0049296 0.1677468 0.3022511 0.0673229 0.3027269 0.0710533 0.1218616 0.0863948 0.3866854 0.1250686 0.3470868 0.1057472 -0.0702272 0.0273922 -0.0664564 0.0200935 0.0099857 0.0346419 0.0189063 0.1229864 2.69256 -1.0942726 0.5574086 -0.8971104 0.9852956 0.3573839 0.67443 0.084351 1.89302 1.2994045 -0.6368499 0.3920111 -0.9973796 0.6793601 -0.2819935 0.0913815 -0.1306312 0.1992674 0.8161943 0.5634578 -0.0919365 0.7327006 0.2182268 0.0055933 -0.0341059 -0.0584961 0.2227721 -0.1778362 -0.0712973 -0.0295128 -0.1377215 -0.0657478 0.0369041 0.0313469 0.040719 -0.0211506 0.0336679 0.1256083 0.0077048 -0.1241118 -0.072913 0.0984114 -0.0349814 0.037585 -0.1042789 -0.0230409 -0.0816066 -0.0873623 0.1563524 -0.013755 0.0264813 -0.0451497 0.0564912 -0.0631178 -0.6295805 0.030548 -0.1146576 -0.0608224 -0.0186548 0.0383631 -0.0773541 0.0153548 -0.041249 -0.0389375 -0.1033432 -0.1313162 -0.0638268 -0.1525686 0.0420927 -0.1378968 0.0286267 -0.1068766 -0.1924923 0.0697093 0.0314817 -0.0021736 0.0126611 0.1344522 0.0340633 0.1489552 -0.0815766 0.0523722 0.0234566 -0.0309526 0.0367951 -0.0354592 0.0854442 -0.020203 0.1066917 -0.067194 1.8968249 0.550975 0.0635062 0.7734516 0.5530535 -0.0175643 0.0177522 -0.0030433 0.1427054 -0.1307661 0.1177459 0.049727 0.1312306 -0.0869827 -0.0118533 0.0560031 -0.0015171 0.0599301 -0.03739 -0.0433462 -0.1360287 -0.0282926 0.0323996 0.0102888 -0.1164809 -0.0176339 -0.2067295 -0.0125855 -0.0401672 -0.120092 -0.032141 0.0211388 -0.0089936 -0.1271608 -0.0235094 -0.1970693 -0.1609465 0.1398712 0.0493528 0.1381054 -0.0977375 -0.0224979 0.0193825 -0.0004486 0.0539076 -0.1400629 0.1427666 0.0256445 0.1420085 -0.1121671 -0.0013443 0.0020956 0.0201353 0.0627946 0.0123964 -0.0307049 -0.0852006 -0.0185339 0.047473 -0.0179348 -0.1035624 -0.022677 -0.1616133 -0.0351458 -0.0441076 -0.1324242 -0.0281404 0.0321172 -0.0011994 -0.1168336 -0.0292115 -0.2016382 -0.1509976 0.1438714 0.0539326 0.1435063 -0.0900752 -0.0170394 0.0384608 -0.003313 0.042193 -0.0040348 -0.0463175 -0.1329308 -0.1086602 0.0410859 -0.0635172 -0.0775717 0.0048349 -0.1647153 -0.0578607 0.0981748 0.0268722 0.0870047 -0.0483087 0.0029126 0.0302534 0.0351363 0.0846853 -0.140334 0.12445 0.0565773 0.1429347 -0.1113002 -0.0314753 0.0318612 0.0021741 0.0504796 -0.0260423 -0.045326 -0.145743 -0.0373618 0.0207152 -0.0245174 -0.1089223 -0.0220297 -0.1940175 -0.0276962 0.1047575 -0.0456502 0.0393753 -0.0069014 -0.0277505 -0.0772236 -0.0306525 0.0548542 -0.0338037 -0.0856911 0.0359209 -0.1102157 0.0477318 -0.0099061 -0.0230788 0.0299617 -0.0797795 -0.1045814 0.1659629 0.0130506 0.1016195 -0.0823022 -0.0182735 0.0058376 -0.0276443 0.0833513 -0.0369106 -0.1010774 0.1338329 -0.0864326 -0.0119905 0.0572993 0.1510536 0.0889242 -0.0856366 -0.002131 -0.0366781 -0.127997 -0.0137392 0.0325012 0.0054638 -0.1551382 -0.0543811 -0.1366131 0.1152418 -0.0282369 0.0011861 -0.0329555 0.0231547 -0.1014462 0.0031331 -0.1000983 0.1199156 0.0325199 0.0274347 0.0912368 0.0235976 0.1250192 -0.0505312 0.0923848 -0.0498615 0.0944598 0.1461401 -0.0128802 0.0046865 -0.0030048 0.0962907 0.0084661 0.014871 0.0115117 0.1784619 -0.0240159 0.0225165 0.1035476 0.0488057 0.0981723 -0.0700615 0.1050222 -0.0657894 0.0977185 0.1012425 -0.0472451 0.0029099 -0.0610953 -0.0191711 -0.1146648 0.0036093 -0.1330765 0.0808731 -0.0398292 -0.0962043 0.0269315 -0.104539 0.0858117 -0.0320904 0.0272563 -0.0343887 0.138837 476.9280622|38.6096132|369.8168992|3.2402104|13.2984058|288.6774375 -0.000003450 -0.000005471 0.000000652 0.000002262 0.000001115 -0.000003998 0.000008066 -0.000008981 0.000001730 0.000003602 -0.000003755 -0.000003298 -0.000014440 -0.000001992 0.000002033 0.000007488 -0.000000953 0.000002643 -0.000000535 0.000000863 0.000000928 -0.000000403 0.000001184 0.000000160 0.000000419 -0.000001586 -0.000000160 -0.000000902 0.000003389 0.000001228 0.000002583 0.000000028 -0.000002543 -0.000002216 0.000002418 -0.000000437 0.000004143 -0.000004185 0.000000295 -0.000001541 0.000003635 0.000002183 -0.000003308 -0.000000944 -0.000000205 -0.000004334 0.000015124 -0.000001730 0.000011273 -0.000010879 0.000003326 -0.000005835 -0.000000173 -0.000000845 0.000001957 0.000001076 0.000001652 -0.000000093 -0.000001228 0.000000037 -0.000005286 -0.000004816 -0.000001945 -0.000002124 -0.000002062 0.000000101 -0.000001074 -0.000001042 0.000002117 -0.000000787 0.000000943 0.000003291 0.000008484 -0.000001952 -0.000001853 -0.000000758 -0.000000318 -0.000000650 0.000000089 0.000000101 -0.000000791 0.000000511 0.000001493 -0.000001926 -0.000000125 0.000002146 -0.000000203 0.000000915 0.000000765 -0.000002901 0.000000351 0.000000923 -0.000002002 -0.000000296 0.000000971 -0.000000259 -0.000001801 0.000001376 0.000001286 0.000001430 -0.000000878 -0.000001202 0.000000808 -0.000001962 -0.000000965 -0.000001182 0.000003531 0.000000118 -0.000001379 0.000003806 0.000001369 0.000001832 0.000000361 -0.000002407 0.000002214 -0.000001254 -0.000002459 -0.000002478 0.000002488 0.000002087 -0.000002977 0.000003978 0.000001757 -0.000002206 0.000002703 0.000001139 0.000000690 0.000001442 -0.000001351 -0.000000150 -0.000001785 0.000001817 0.000003628 -0.000002179 -0.000000669 -0.000000418 0.000001873 -0.000000131 -0.000001879 -0.000000847 0.000001979 -0.000000765 0.000001506 0.000001001 355.7334999999997 AuxInfo=1/0/N:7;8;9;10;11;12;13;14;15;16;17;18;19;20;21;22;23;24;25;1;5;6;3;4;2;26;27;28;29;30;31;32;33;34;35;36;37;38;39;40;41;42;43;44;45;46;47;48/rA:48nCl0S0O0O0N0N0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:-6.3633,-1.4181,-.6311;.9328,-2.8303,.4275;-1.3017,-1.9637,-.4537;-.8596,-1.2843,1.6724;-3.3668,1.0337,-.724;-4.5903,.5033,-.7066;3.9319,.7545,1.3466;4.8756,1.2269,.2381;3.3872,-.6579,1.1177;5.3863,2.6555,.4435;2.3345,-1.0523,2.1552;6.2985,3.1472,-.6844;1.7973,-2.4757,2.0203;6.8024,4.5758,-.4684;-.5337,-1.8915,.6883;-2.4082,-1.1354,-.5284;-2.2757,.2657,-.6511;-.9665,.9572,-.6888;.0812,.4754,-1.4854;-.7766,2.1217,.067;-3.6566,-1.7014,-.5208;1.2973,1.1528,-1.527;.4441,2.7892,.029;1.4829,2.3078,-.7688;-4.7223,-.8049,-.6244;3.0892,1.4524,1.4208;4.4516,.7948,2.3127;4.3538,1.1657,-.7255;5.7303,.5413,.1677;4.2129,-1.3811,1.1359;2.9471,-.7106,.116;5.9264,2.7151,1.3977;4.529,3.3357,.5353;2.7665,-.9801,3.1615;1.5018,-.3442,2.1239;7.1545,2.4672,-.7787;5.7555,3.0908,-1.6364;2.6061,-3.211,2.0357;1.1003,-2.722,2.8223;5.9679,5.2825,-.402;7.4498,4.9021,-1.2885;7.3773,4.6549,.4608;-.0576,-.4176,-2.0825;-1.5827,2.491,.6896;-3.7954,-2.7696,-.4226;2.0987,.7765,-2.1522;.5865,3.6829,.6262;2.434,2.8268,-.7946; Gaussian 16 27-Apr-2023 Gaussian 16 3-Jul-2019 EM64L-G16RevC.01 138 C1[X(C19H23ClN2O2S)] RB3LYP 6-311+G(d,p) SP #P B3LYP 6-311+G(d,p) EmpiricalDispersion=gd3 scrf=(smd,Solvent=n-Octanol) 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 0 0 0 0 0 0 0 0 0 355.7334999999997 AuxInfo=1/0/N:7;8;9;10;11;12;13;14;15;16;17;18;19;20;21;22;23;24;25;1;5;6;3;4;2;26;27;28;29;30;31;32;33;34;35;36;37;38;39;40;41;42;43;44;45;46;47;48/rA:48nCl0S0O0O0N0N0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:-6.3633,-1.4181,-.6311;.9328,-2.8303,.4275;-1.3017,-1.9637,-.4537;-.8596,-1.2843,1.6724;-3.3668,1.0337,-.724;-4.5903,.5033,-.7066;3.9319,.7545,1.3466;4.8756,1.2269,.2381;3.3872,-.6579,1.1177;5.3863,2.6555,.4435;2.3345,-1.0523,2.1552;6.2985,3.1472,-.6844;1.7973,-2.4757,2.0203;6.8024,4.5758,-.4684;-.5337,-1.8915,.6883;-2.4082,-1.1354,-.5284;-2.2757,.2657,-.6511;-.9665,.9572,-.6888;.0812,.4754,-1.4854;-.7766,2.1217,.067;-3.6566,-1.7014,-.5208;1.2973,1.1528,-1.527;.4441,2.7892,.029;1.4829,2.3078,-.7688;-4.7223,-.8049,-.6244;3.0892,1.4524,1.4208;4.4516,.7948,2.3127;4.3538,1.1657,-.7255;5.7303,.5413,.1677;4.2129,-1.3811,1.1359;2.9471,-.7106,.116;5.9264,2.7151,1.3977;4.529,3.3357,.5353;2.7665,-.9801,3.1615;1.5018,-.3442,2.1239;7.1545,2.4672,-.7787;5.7555,3.0908,-1.6364;2.6061,-3.211,2.0357;1.1003,-2.722,2.8223;5.9679,5.2825,-.402;7.4498,4.9021,-1.2885;7.3773,4.6549,.4608;-.0576,-.4176,-2.0825;-1.5827,2.491,.6896;-3.7954,-2.7696,-.4226;2.0987,.7765,-2.1522;.5865,3.6829,.6262;2.434,2.8268,-.7946; oldchk=/home/apulgar/almacen/pesticidas/6_herbicides/pyridate/gaussian/octanol/ #P B3LYP 6-311+G(d,p) EmpiricalDispersion=gd3 scrf=(smd,Solvent=n-Octa 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=1,70=32201,72=25,74=-5,116=-2,124=31/1,2,3 4/5=1/1 5/5=2,38=6,53=25/2 6/7=2,8=2,9=2,10=2,28=1/1 99/5=1,6=200,9=1/99 Wavefunction pyridate CONF5 octanol 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 40 41 42 43 44 45 46 47 48 35 32 16 16 14 14 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 34.9688527 31.9720718 15.9949146 15.9949146 14.0030740 14.0030740 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 3 0 0 0 2 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 14.2400000 13.6000000 5.6000000 5.6000000 4.5500000 4.5500000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 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 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 729 A 704 A 704 1115 729 100 100 2459.7590946431 48 48 48 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 -0.0560979484 PCM SMD-Coulomb. Total charges None On-the-fly selection n-Octanol 9.862900 2.043470 0.000000 7.506545 0.000000 5.094016 2.553549 0.000000 5.967840 2.674411 2.275370 0.000000 3.872857 5.894386 3.649969 4.171635 0.000000 2.615560 6.550086 4.118817 4.772144 1.333596 0.000000 10.706162 4.763371 6.165994 5.217331 7.591869 8.769585 0.000000 11.578644 5.660626 6.986954 6.423070 8.300661 9.540398 1.530589 0.000000 9.935254 3.349616 5.114729 4.328429 7.202163 8.265426 1.530953 2.557667 0.000000 12.482081 7.065946 8.177456 7.486176 8.978352 10.270686 2.558261 1.530934 3.928012 0.000000 9.140492 2.847933 4.567116 3.238647 6.719111 7.652583 2.543605 3.915043 1.529741 5.098139 0.000000 13.459792 8.109095 9.161710 8.742449 9.893778 11.205177 3.930773 2.561833 5.118781 1.531698 6.435250 0.000000 8.645446 1.846617 3.998315 2.932471 6.820237 7.557212 3.929915 5.134361 2.578146 6.457240 1.527339 7.693695 0.000000 14.466809 9.492370 10.413496 9.880741 10.771459 12.101010 5.112393 3.927672 6.447542 2.554319 7.649896 1.530219 8.998222 0.000000 5.995764 1.760685 1.378089 1.201404 4.310237 4.912892 5.232172 6.260004 4.132768 7.468666 3.329026 8.599484 2.747561 9.847917 0.000000 3.966491 3.866421 1.384228 2.695218 2.379536 2.734647 6.876345 7.695613 6.043616 8.721819 5.449955 9.704217 5.096953 10.837736 2.359230 0.000000 4.420815 4.587310 2.440854 3.131535 1.336286 2.327345 6.539429 7.270262 6.004260 8.100402 5.555755 9.045551 5.589370 10.051018 3.079278 1.412643 0.000000 5.896709 4.381640 2.949440 3.257439 2.401825 3.652153 5.308260 5.921312 4.982664 6.672644 4.798189 7.587881 5.173235 8.573091 3.193524 2.546232 1.481160 0.000000 6.770998 3.913057 2.987578 3.735368 3.574933 4.736001 4.788085 5.149927 4.357815 6.051274 4.545860 6.814337 4.893217 7.938661 3.271817 3.115675 2.509020 1.401553 0.000000 6.650481 5.251095 4.151727 3.766258 2.918696 4.214487 5.067145 5.725136 5.115403 6.197416 4.910525 7.188396 5.619236 7.984353 4.068199 3.691229 2.491554 1.401146 2.419904 0.000000 2.723746 4.820392 2.370392 3.578745 2.757952 2.401476 8.191646 9.052591 7.306778 10.083959 6.593559 11.074260 6.066418 12.198196 3.354164 1.370702 2.406892 3.785916 4.431662 4.822438 0.000000 8.129979 4.451734 4.197480 4.563692 4.734210 5.979803 3.918814 3.990666 3.826361 4.781331 4.415482 5.449750 5.098917 6.568396 4.186557 4.468060 3.784272 2.421865 1.392663 2.789333 5.805127 0.000000 8.029823 5.654762 5.086301 4.581872 4.262865 5.577769 4.247408 4.703470 4.661513 4.961357 4.780293 5.908546 5.789235 6.623200 4.826936 4.883525 3.772036 2.420970 2.789048 1.391805 6.106022 2.413863 0.000000 8.687003 5.304169 5.108694 4.934554 5.014471 6.335871 3.589625 3.700397 3.997654 4.102133 4.534917 4.888960 5.546169 5.790604 4.880955 5.201357 4.279191 2.798192 2.415801 2.416269 6.522995 1.394050 1.395427 0.000000 1.751871 6.098243 3.615543 4.519453 2.286434 1.317430 9.011685 9.848431 8.295816 10.737695 7.588469 11.708117 7.231216 12.719822 4.521927 2.339476 2.670640 4.149118 5.045150 4.960988 1.396470 6.393915 6.327403 6.943614 0.000000 10.089612 4.896765 5.870550 4.811001 6.815876 8.025039 1.096661 2.154277 2.152687 2.771110 2.717089 4.195666 4.178327 5.206930 4.984334 6.381070 5.872294 4.598278 4.295195 4.150300 7.695594 3.462676 3.274233 2.847180 8.384363 0.000000 11.424692 5.392263 6.954246 5.739370 8.390813 9.537061 1.097724 2.161151 2.161225 2.798155 2.813982 4.234097 4.222139 5.249466 5.891280 7.671631 7.370228 6.195972 5.798906 5.842678 8.944341 4.982014 5.025167 4.538490 9.764432 1.756096 0.000000 11.024546 5.385197 6.469234 6.239477 7.721730 8.968560 2.154195 1.097488 2.767150 2.156875 4.158747 2.776685 5.228231 4.206037 5.935670 7.145518 6.690754 5.324465 4.394207 5.278486 8.510456 3.159865 4.300045 3.090057 9.288056 2.507536 3.062263 0.000000 12.277296 5.869473 7.490626 7.001626 9.153971 10.357593 2.160900 1.097955 2.798287 2.159672 4.245102 2.799969 5.291726 4.222756 6.739918 8.338534 8.052514 6.764114 5.886378 6.696791 9.675576 4.785132 5.745948 4.694501 10.568602 3.061953 2.510027 1.755698 0.000000 10.722835 3.655264 5.768599 5.101646 8.169612 9.189185 2.164224 2.836707 1.097710 4.260266 2.162243 5.307395 2.795589 6.690569 4.794868 6.831506 6.928737 5.968481 5.233399 6.189205 8.048329 4.691705 5.728851 4.968783 9.125091 3.061418 2.485148 3.157619 2.633489 0.000000 9.367048 2.940614 4.466158 4.152318 6.604074 7.678660 2.151905 2.736486 1.095422 4.169874 2.156405 5.172589 2.839637 6.568991 3.719871 5.410630 5.368378 4.329584 3.490623 4.678660 6.707848 2.982221 4.303615 3.469578 7.705561 2.530094 3.058590 2.491502 3.052253 1.758382 0.000000 13.123929 7.525262 8.807088 7.881671 9.679554 10.950872 2.797343 2.159587 4.231238 1.098076 5.260189 2.158779 6.661991 2.776987 7.966017 9.381003 8.801890 7.413233 6.891719 6.859544 10.724777 5.694195 5.651075 4.960341 11.396251 3.105612 2.588487 3.063004 2.505414 4.447888 4.717560 0.000000 11.941543 7.138850 7.940886 7.188408 8.320367 9.629395 2.770779 2.157632 4.194206 1.098257 5.166626 2.157438 6.590827 2.777364 7.278520 8.321449 7.558872 6.111905 5.661036 5.462774 9.669061 4.411560 4.152227 3.469282 10.201699 2.530529 3.101787 2.515775 3.063817 4.765306 4.364728 1.755471 0.000000 9.895901 3.776255 5.530553 3.931701 7.534620 8.443028 2.767761 4.226748 2.160057 5.240971 1.097478 6.655826 2.116230 7.767365 4.223574 6.357466 6.442962 5.701988 5.560797 5.634712 7.438780 5.356228 5.423399 5.282532 8.393156 3.008508 2.590352 4.715076 4.478934 2.521009 3.062640 5.172105 5.350568 0.000000 8.402519 3.062952 4.138316 2.581356 5.806259 6.770739 2.777893 4.172241 2.159996 5.187627 1.093495 6.563921 2.154314 7.682648 2.932214 4.790472 4.726723 3.961938 3.964393 3.937287 5.953543 3.951134 3.914777 3.924459 6.819359 2.498455 3.167681 4.304934 4.742451 3.066107 2.500883 5.428152 5.022861 1.755130 0.000000 14.065849 8.260027 9.552241 9.181866 10.618656 11.908041 4.223219 2.786642 5.249291 2.157685 6.650346 1.097233 7.808082 2.160194 8.958695 10.221882 9.684649 8.260645 7.382310 7.983500 11.589783 6.049342 6.766459 5.673858 12.320222 4.732219 4.433899 3.088821 2.575537 5.208468 5.348064 2.511226 3.061719 6.831031 6.948544 0.000000 12.969451 7.910600 8.760737 8.593523 9.395804 10.704907 4.205012 2.785993 5.219829 2.156790 6.576062 1.097369 7.747540 2.159956 8.353506 9.259314 8.570499 7.115857 6.249910 6.819752 10.620608 4.862488 5.574534 4.429587 11.224291 4.374889 4.750467 2.549639 3.123374 5.482955 5.040760 3.062016 2.506122 6.966012 6.635747 1.755426 0.000000 9.527700 2.351852 4.798343 3.981866 7.830087 8.550124 4.237624 5.298790 2.823312 6.684297 2.178988 7.839588 1.093219 9.193119 3.662680 6.002243 6.568025 6.128656 5.688835 6.614818 6.930812 5.783466 6.686061 6.291623 8.159089 4.728516 4.419104 5.462030 5.227731 2.596135 3.170675 6.822801 6.986221 2.503983 3.073367 7.800681 7.944519 0.000000 8.326536 2.403006 4.132367 2.688919 6.829134 7.432239 4.720299 6.043586 3.520777 7.276356 2.180838 8.588669 1.090683 9.828529 2.813107 5.104340 5.691046 5.489586 5.460539 5.880068 5.903011 5.828251 6.213378 6.192033 7.032555 4.831729 4.884489 6.187526 6.255562 3.785480 3.844430 7.408335 7.326740 2.434250 2.510507 8.749165 8.679795 1.767832 0.000000 14.035985 9.584261 10.264335 9.697428 10.261218 11.593455 5.263661 4.248615 6.652672 2.820393 7.737625 2.179175 9.135158 1.095552 9.742960 10.552942 9.653399 8.177762 7.676952 7.463147 11.891997 6.335204 6.075717 5.394314 12.303881 5.126304 5.459724 4.433777 4.781282 7.060358 6.731403 3.135623 2.596014 7.884624 7.614894 3.078290 2.524383 9.454298 9.907649 0.000000 15.204606 10.257049 11.154605 10.774269 11.501436 12.831685 6.043424 4.739653 7.294441 3.507935 8.572122 2.184121 9.865683 1.094677 10.667583 11.584926 10.793045 9.314301 8.598363 8.788744 12.944047 7.208904 7.435067 6.527250 13.459985 6.185132 6.231271 4.885045 4.908645 7.472246 7.331508 3.784115 3.783071 8.737069 8.634131 2.505193 2.504524 10.016736 10.739758 1.768271 0.000000 15.062476 9.877321 10.952949 10.226843 11.399701 12.720913 5.279133 4.249634 6.676715 2.821743 7.802155 2.179142 9.187726 1.095521 10.270880 11.413277 10.662231 9.198546 8.630741 8.547404 12.771576 7.292665 7.192802 6.462592 13.318672 5.437406 5.185589 4.766955 4.440826 6.848556 6.966733 2.597234 3.139906 7.765725 7.891734 2.524297 3.078121 9.333671 9.969775 1.767695 1.768191 0.000000 6.547439 3.619691 2.567271 3.936145 3.860371 4.825542 5.389647 5.694407 4.708094 6.742468 4.907408 7.420422 4.950665 8.637081 3.174255 2.907841 2.726877 2.158362 1.083139 3.403678 4.127874 2.147200 3.872149 3.395116 4.902532 5.066792 6.412469 4.879418 6.283526 5.433550 3.734628 7.598340 6.478945 5.982546 4.486669 7.876335 6.804454 5.644297 5.541412 8.462989 9.235358 9.352916 0.000000 6.314981 5.891760 4.607611 3.967555 2.702776 3.865950 5.818768 6.596392 5.899110 6.975356 5.481557 8.027002 6.153308 8.717671 4.506266 3.913509 2.688804 2.152258 3.400296 1.083500 4.831368 3.872813 2.152573 3.399802 4.737737 4.841543 6.474883 6.245100 7.586452 6.984349 5.576614 7.545829 6.171744 6.088873 4.428299 8.859784 7.721421 7.202169 6.238758 8.123810 9.555839 9.220493 4.297719 0.000000 2.909334 4.804371 2.620841 3.900507 3.839213 3.379967 8.675191 9.570486 7.643389 10.699730 6.867959 11.703094 6.109985 12.894517 3.555781 2.146134 3.402077 4.686394 5.165912 5.768614 1.081591 6.522222 7.005484 7.332084 2.181672 8.283752 9.391362 9.054626 10.101874 8.275790 7.070326 11.309679 10.367538 7.688033 6.358157 12.142890 11.271037 6.871483 5.873572 12.655325 13.640340 13.443655 4.717780 5.814295 0.000000 8.873295 4.585102 4.685716 5.256005 5.654888 6.848841 3.950001 3.691551 3.796085 4.590941 4.685457 5.041128 5.298782 6.276526 4.702730 5.157926 4.652969 3.401411 2.146086 3.873189 6.474917 1.083874 3.397974 2.153606 7.166627 3.768847 5.046907 2.696737 4.315756 4.465024 2.841852 5.568827 4.436036 5.636166 4.460595 5.505099 4.358267 5.804831 6.162890 6.191786 6.811867 7.052221 2.465856 4.956669 7.092656 0.000000 8.712144 6.525475 6.051091 5.278170 4.946755 6.219777 4.504031 4.957744 5.189279 4.911953 5.274071 5.884862 6.429484 6.374340 5.686196 5.789461 4.636985 3.401546 3.873323 2.146691 6.950594 3.397506 1.084310 2.154175 7.063142 3.445318 5.111185 4.728203 6.044729 6.249357 5.013590 5.481485 3.958766 5.737931 4.393062 6.825680 5.673497 7.320659 6.790436 5.707441 7.228938 6.861987 4.956438 2.475984 7.869918 4.295781 0.000000 9.769272 5.979161 6.084441 5.816790 6.072046 7.399113 3.335127 3.096404 4.087684 3.206024 4.874316 3.879327 6.037038 4.716789 5.767884 6.262354 5.363003 3.881995 3.397382 3.398153 7.594408 2.151946 2.153925 1.083819 8.026869 2.688198 4.225524 2.539630 4.124975 4.959610 3.688663 4.125040 2.533100 5.500344 4.409343 4.734188 3.436676 6.670517 6.756482 4.321216 5.450625 5.417960 4.288712 4.295358 8.382293 2.481801 2.482922 0.000000 C19H23ClN2O2S 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 0 0 0 0 0 0 0 0 0 355.7334999999997 AuxInfo=1/0/N:7;8;9;10;11;12;13;14;15;16;17;18;19;20;21;22;23;24;25;1;5;6;3;4;2;26;27;28;29;30;31;32;33;34;35;36;37;38;39;40;41;42;43;44;45;46;47;48/rA:48nCl0S0O0O0N0N0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:6.7584,-.7637,.092;.2756,2.9087,-.8223;2.1547,1.1811,-.8944;1.3783,1.5643,1.2098;3.1366,-2.1146,.3289;4.4625,-1.9822,.3833;-3.7851,.9759,.7475;-4.758,.3784,-.272;-2.7942,1.9667,.1309;-5.7207,-.6453,.3354;-1.7396,2.4374,1.1341;-6.6689,-1.2762,-.6889;-.7581,3.4777,.598;-7.6259,-2.2976,-.0705;1.3335,1.7889,.0304;2.9312,.1224,-.4557;2.3551,-1.1136,-.0868;.8968,-1.3711,-.1177;.1186,-.9814,-1.2163;.2875,-2.0317,.9573;4.2928,.2751,-.4184;-1.247,-1.2539,-1.2383;-1.0793,-2.2928,.934;-1.8493,-1.9064,-.1637;5.0102,-.8434,.011;-3.2243,.1637,1.2256;-4.3505,1.4724,1.5468;-4.1839,-.0994,-1.0761;-5.3344,1.1847,-.7444;-3.3367,2.8333,-.2687;-2.2974,1.4888,-.7203;-6.3109,-.1649,1.127;-5.1414,-1.439,.8259;-2.2353,2.898,1.9981;-1.1846,1.5768,1.5176;-7.2469,-.4841,-1.1813;-6.0772,-1.7593,-1.4767;-1.2806,4.3492,.1947;-.0721,3.8227,1.3727;-7.0752,-3.1183,.4021;-8.2902,-2.7334,-.8236;-8.2537,-1.8346,.6987;.5805,-.4799,-2.0579;.8863,-2.3264,1.8109;4.7673,1.2089,-.6882;-1.8388,-.9553,-2.0959;-1.5449,-2.7939,1.7754;-2.9142,-2.1074,-.1787; 0.3592834 0.0873289 0.0743048 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= 704 RedAO= T EigKep= 1.92D-06 NBF= 704 NBsUse= 701 1.00D-06 EigRej= 9.90D-07 NBFU= 701 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= 707 707 707 707 707 MxSgAt= 48 MxSgA2= 48. 1 Closed 1 1 1 -1856.59471448118 -1856.59471448 1 1.850599928171e+03 -9.281292620169e+03 3.114397661769e+03 Using DIIS extrapolation, IDIIS= 1040. NGot= 11324620800 LenX= 11323543994 LenY= 11323011824 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. PT501.200S 2023-04-27T17:13:42.000 -101.57372 -88.87714 -19.20873 -19.14683 -14.37204 -14.37178 -10.34987 -10.29185 -10.28580 -10.24970 -10.22497 -10.20755 -10.19948 -10.18492 -10.18349 -10.18105 -10.18008 -10.17974 -10.16692 -10.15668 -10.15624 -10.15383 -10.15371 -10.15347 -10.14980 -9.48834 -7.96370 -7.25302 -7.24325 -7.24263 -5.92747 -5.92310 -5.91827 -1.15077 -1.06835 -1.05076 -0.91056 -0.87684 -0.85416 -0.82953 -0.82229 -0.80158 -0.77680 -0.76243 -0.75621 -0.74499 -0.71162 -0.69084 -0.67958 -0.64219 -0.62275 -0.61345 -0.60367 -0.59009 -0.57400 -0.56929 -0.56577 -0.54008 -0.52364 -0.51051 -0.49909 -0.48193 -0.47859 -0.47548 -0.47289 -0.46072 -0.45801 -0.45097 -0.44716 -0.43589 -0.43202 -0.42829 -0.42482 -0.41954 -0.40704 -0.39449 -0.38984 -0.38067 -0.37279 -0.36947 -0.36766 -0.36251 -0.35926 -0.35347 -0.35207 -0.34157 -0.33583 -0.33397 -0.33057 -0.32095 -0.32063 -0.31780 -0.31525 -0.30778 -0.30372 -0.30136 -0.27277 -0.27082 -0.26216 -0.25655 -0.07764 -0.06536 -0.02977 -0.01874 -0.01149 -0.00153 0.00051 0.00463 0.01105 0.01316 0.01805 0.02080 0.02562 0.03153 0.03583 0.03714 0.04175 0.04739 0.04917 0.05136 0.05421 0.05715 0.06229 0.06661 0.06831 0.07097 0.07356 0.07629 0.08071 0.08263 0.08288 0.08686 0.09189 0.09316 0.09508 0.09753 0.10181 0.10574 0.10713 0.11053 0.11527 0.11766 0.11873 0.12195 0.12333 0.12437 0.12904 0.13098 0.13220 0.13745 0.13817 0.14373 0.14550 0.15026 0.15212 0.15681 0.15811 0.15935 0.16118 0.16415 0.16560 0.17007 0.17527 0.17610 0.17711 0.18121 0.18224 0.18507 0.18835 0.19088 0.19560 0.19617 0.19814 0.19927 0.20385 0.20508 0.20635 0.20859 0.21259 0.21456 0.21653 0.21817 0.21918 0.22198 0.22423 0.22712 0.22941 0.23206 0.23319 0.23684 0.23840 0.24031 0.24165 0.24434 0.24774 0.24966 0.25087 0.25501 0.25533 0.25634 0.25872 0.26258 0.26485 0.26618 0.27040 0.27138 0.27462 0.27673 0.28164 0.28431 0.28590 0.29110 0.29570 0.29586 0.29875 0.29961 0.30230 0.30892 0.31001 0.31180 0.31653 0.31874 0.32211 0.32643 0.32843 0.33394 0.33455 0.34094 0.34324 0.35028 0.35246 0.35345 0.35654 0.36003 0.36254 0.36857 0.37027 0.37128 0.37585 0.37837 0.38535 0.38954 0.39229 0.39936 0.40035 0.41324 0.41947 0.42672 0.43089 0.43363 0.44253 0.44674 0.44893 0.45476 0.46220 0.46394 0.46965 0.47554 0.48512 0.48920 0.50105 0.50269 0.50973 0.51302 0.52167 0.53551 0.54481 0.54595 0.54948 0.55331 0.55540 0.56266 0.56417 0.57425 0.57722 0.58096 0.58513 0.59267 0.60027 0.60374 0.60943 0.61238 0.62124 0.63026 0.63421 0.63912 0.64448 0.64766 0.65363 0.65457 0.65701 0.66108 0.66244 0.66912 0.67631 0.67745 0.68253 0.68613 0.69141 0.69632 0.69847 0.70427 0.70561 0.70861 0.71276 0.71411 0.72461 0.72602 0.73088 0.73610 0.74154 0.74675 0.75047 0.75210 0.75347 0.76144 0.76557 0.77372 0.77499 0.77866 0.78384 0.78569 0.79603 0.80247 0.80590 0.81079 0.81729 0.82303 0.82758 0.83068 0.83534 0.84370 0.84950 0.85108 0.85344 0.86073 0.86779 0.87294 0.87611 0.88128 0.88688 0.88882 0.89722 0.89964 0.90334 0.91259 0.91660 0.92341 0.92610 0.93450 0.93759 0.94693 0.95349 0.95921 0.96787 0.97043 0.98151 0.98781 0.99219 1.00003 1.00408 1.01675 1.01790 1.02982 1.03587 1.04310 1.04638 1.05251 1.05822 1.06618 1.07644 1.08295 1.08696 1.09789 1.10873 1.11637 1.12291 1.12617 1.12871 1.13971 1.16148 1.17019 1.17250 1.17432 1.19485 1.20705 1.21765 1.23226 1.24553 1.25454 1.25813 1.26278 1.27177 1.28024 1.30170 1.30563 1.31059 1.31374 1.33142 1.34238 1.34984 1.35356 1.36269 1.37529 1.39213 1.42114 1.43061 1.45100 1.47015 1.48066 1.48431 1.50114 1.50575 1.50723 1.51695 1.53112 1.53317 1.54066 1.54392 1.55339 1.56044 1.56484 1.57131 1.57558 1.58511 1.58880 1.59487 1.60165 1.60453 1.61051 1.61606 1.61931 1.62390 1.62435 1.63149 1.64027 1.64598 1.65168 1.65961 1.66773 1.67101 1.67468 1.68065 1.68969 1.69436 1.69676 1.70397 1.70819 1.72024 1.73150 1.73831 1.74515 1.75130 1.75978 1.76265 1.76876 1.77490 1.77849 1.78882 1.79175 1.79786 1.80383 1.81196 1.81559 1.81989 1.82243 1.83662 1.84345 1.85613 1.86197 1.86469 1.87578 1.88457 1.89791 1.90557 1.91392 1.92969 1.93125 1.93790 1.95290 1.95490 1.96709 1.97594 1.98243 1.98891 1.99245 1.99836 2.00301 2.01761 2.03442 2.04084 2.05215 2.06622 2.07115 2.07508 2.08061 2.09257 2.09907 2.10422 2.10972 2.13227 2.14235 2.15855 2.16576 2.17102 2.19113 2.20923 2.22916 2.23277 2.23911 2.25623 2.26434 2.26515 2.27803 2.28917 2.29244 2.31923 2.33422 2.34643 2.34875 2.35726 2.37167 2.38616 2.38977 2.40254 2.42650 2.43419 2.43669 2.44174 2.44428 2.45750 2.46700 2.47006 2.47930 2.49040 2.51145 2.51795 2.52730 2.53351 2.55112 2.56642 2.57136 2.57815 2.58568 2.58995 2.60735 2.61029 2.61898 2.63840 2.64257 2.64716 2.65060 2.65664 2.66302 2.67620 2.68023 2.68533 2.69252 2.69660 2.71886 2.72519 2.72874 2.73052 2.73634 2.74413 2.75318 2.75399 2.75869 2.77322 2.77973 2.79057 2.79738 2.81061 2.81876 2.82214 2.82415 2.82769 2.83768 2.84818 2.85040 2.87045 2.87818 2.88973 2.90040 2.90983 2.91549 2.93014 2.94045 2.94406 2.95540 2.95790 2.96397 2.96570 2.97400 2.98851 3.01273 3.01548 3.03124 3.04067 3.04209 3.04994 3.07166 3.09289 3.10441 3.12849 3.15104 3.17216 3.17993 3.19290 3.21034 3.22022 3.25696 3.27101 3.28393 3.30068 3.35115 3.36434 3.38596 3.41312 3.44289 3.45895 3.51889 3.52433 3.52862 3.57400 3.58384 3.59774 3.64616 3.69857 3.73284 3.77133 3.78532 3.80235 3.81856 3.81965 3.82153 3.83940 3.86222 3.86867 3.88452 3.89660 3.98856 4.01202 4.02341 4.03399 4.04456 4.06565 4.06964 4.08338 4.12408 4.15341 4.17382 4.19146 4.19585 4.28352 4.36209 4.41013 4.42250 4.56251 4.57755 4.84639 5.10650 5.14327 5.21390 5.33428 5.54797 5.63631 5.90322 7.98611 9.76984 17.36546 17.48384 17.52497 23.57237 23.71461 23.77917 23.84912 23.88501 23.88621 23.90429 23.90738 23.92021 23.92469 23.94018 23.94207 23.96647 23.98063 24.01426 24.07679 24.09865 24.10315 24.19177 25.80789 26.04301 26.55782 35.53405 35.59915 49.92343 49.97122 189.16510 215.76096 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 40 41 42 43 44 45 46 47 48 Cl S O O N N C C C C C C C C C C C C C C C C C C C H H H H H H H H H H H H H H H H H H H H H H H 0.539495 0.392020 -0.021837 -0.174032 -0.045083 0.029397 0.009959 -0.252881 -0.078236 -0.384431 -0.419623 -0.223243 -0.606899 -0.665500 -0.317234 0.076334 -0.799422 1.115628 -0.643031 -0.274818 0.450411 -0.451564 -0.511481 -0.026140 -0.390496 0.135315 0.144248 0.144580 0.141056 0.147298 0.134435 0.142537 0.143601 0.164275 0.168890 0.140546 0.136912 0.225629 0.231212 0.139451 0.145004 0.141110 0.171662 0.163585 0.201159 0.162513 0.161891 0.185795 0.00000 -5.4448 5.5200 -1.7093 7.9396 -173.4778 -168.2991 -165.3076 15.4002 -8.4439 1.5830 -4.4497 0.7290 3.7206 15.4002 -8.4439 1.5830 -46.2036 104.3770 -1.7903 -55.6985 109.3072 -32.7813 4.6503 -3.4615 15.2781 4.0195 -15490.7826 -3394.5678 -734.2733 341.8620 -120.5303 48.5811 34.0762 -4.5294 -8.1409 -3256.1981 -2646.7848 -688.1122 55.5233 -40.6291 -8.0028 (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A) (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(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-FRESNEDILLAS APULGAR 2023-04-27T00:00:00.000 0 Wavefunction pyridate CONF5 octanol 0 1 Version=EM64L-G16RevC.01 State=1-A HF=-1856.5947145 RMSD=3.711e-09 Dipole=2.7450364,-1.4370002,0.3965793 Quadrupole=-11.1048774,7.7129739,3.3919035,9.1071281,0.3801596,1.0462632 PG=C01[X(C19H23Cl1N2O2S1)] 0 -6.3632937023 -1.4181093613 -0.6310880185 0 0.932816066 -2.8303039707 0.4275430192 0 -1.3016840456 -1.9636668349 -0.4536842352 0 -0.859557202 -1.2842823172 1.6724079976 0 -3.3668195439 1.0337316655 -0.7240446615 0 -4.5902635398 0.5032997031 -0.7066126366 0 3.9318759565 0.7544813542 1.346594252 0 4.8756315526 1.2269106816 0.2380643112 0 3.3872411973 -0.6579000722 1.1177489169 0 5.3863304816 2.6554547865 0.4435109131 0 2.3344918117 -1.0523040616 2.1551840754 0 6.2985119154 3.1471755011 -0.6844222866 0 1.7973055831 -2.4756816403 2.0203062765 0 6.802378598 4.5758173778 -0.4683894766 0 -0.5336815398 -1.8914687288 0.6882834041 0 -2.4082249717 -1.1353737973 -0.528422455 0 -2.2757463305 0.26568601 -0.651062786 0 -0.966472651 0.9572175098 -0.688769558 0 0.0811874418 0.4753704011 -1.4853757968 0 -0.7765656067 2.1216685255 0.0670080978 0 -3.656568034 -1.7014166087 -0.5207968507 0 1.2972852446 1.1527809096 -1.5269735044 0 0.4441292251 2.7891866538 0.0289947424 0 1.4828811934 2.3078246811 -0.7688150185 0 -4.7222565759 -0.8049189518 -0.6243766085 0 3.0892297258 1.4524121681 1.4207852394 0 4.4515557714 0.7947827939 2.3126725178 0 4.3537831354 1.1656799709 -0.7254735139 0 5.7302901403 0.5412605274 0.1677250133 0 4.2128800149 -1.3810570532 1.1359333166 0 2.9470699125 -0.7106440051 0.1160420419 0 5.92644685 2.7151453028 1.3977029994 0 4.5289779888 3.3356660871 0.53531549 0 2.7665236414 -0.9800834535 3.1614599653 0 1.5017828974 -0.3442470677 2.1238549731 0 7.1544906587 2.4672241443 -0.7786927673 0 5.7555337882 3.0907801817 -1.6363746238 0 2.6061383604 -3.2109905502 2.0357333263 0 1.100316828 -2.7219993201 2.8222558963 0 5.9678802817 5.2825278075 -0.4020086862 0 7.4498231746 4.9021430976 -1.2885382632 0 7.377302705 4.654945548 0.4607855876 0 -0.0576229315 -0.4176109209 -2.08245777 0 -1.5827418312 2.4909848682 0.6896300711 0 -3.7953512882 -2.7695616406 -0.4225895925 0 2.0987052941 0.7764703313 -2.1521931775 0 0.5865207233 3.6829472561 0.6261916582 0 2.43400643 2.8268223725 -0.7946350381 Gaussian 16 27-Apr-2023 Gaussian 16 3-Jul-2019 EM64L-G16RevC.01 138 C1[X(C19H23ClN2O2S)] RB3LYP TD-FC 6-311+G(d,p) SP #P B3LYP 6-311+G(d,p) EmpiricalDispersion=gd3 scrf=(smd,Solvent=n-Octanol) 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 0 0 0 0 0 0 0 0 0 355.7334999999997 AuxInfo=1/0/N:7;8;9;10;11;12;13;14;15;16;17;18;19;20;21;22;23;24;25;1;5;6;3;4;2;26;27;28;29;30;31;32;33;34;35;36;37;38;39;40;41;42;43;44;45;46;47;48/rA:48nCl0S0O0O0N0N0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:-6.3633,-1.4181,-.6311;.9328,-2.8303,.4275;-1.3017,-1.9637,-.4537;-.8596,-1.2843,1.6724;-3.3668,1.0337,-.724;-4.5903,.5033,-.7066;3.9319,.7545,1.3466;4.8756,1.2269,.2381;3.3872,-.6579,1.1177;5.3863,2.6555,.4435;2.3345,-1.0523,2.1552;6.2985,3.1472,-.6844;1.7973,-2.4757,2.0203;6.8024,4.5758,-.4684;-.5337,-1.8915,.6883;-2.4082,-1.1354,-.5284;-2.2757,.2657,-.6511;-.9665,.9572,-.6888;.0812,.4754,-1.4854;-.7766,2.1217,.067;-3.6566,-1.7014,-.5208;1.2973,1.1528,-1.527;.4441,2.7892,.029;1.4829,2.3078,-.7688;-4.7223,-.8049,-.6244;3.0892,1.4524,1.4208;4.4516,.7948,2.3127;4.3538,1.1657,-.7255;5.7303,.5413,.1677;4.2129,-1.3811,1.1359;2.9471,-.7106,.116;5.9264,2.7151,1.3977;4.529,3.3357,.5353;2.7665,-.9801,3.1615;1.5018,-.3442,2.1239;7.1545,2.4672,-.7787;5.7555,3.0908,-1.6364;2.6061,-3.211,2.0357;1.1003,-2.722,2.8223;5.9679,5.2825,-.402;7.4498,4.9021,-1.2885;7.3773,4.6549,.4608;-.0576,-.4176,-2.0825;-1.5827,2.491,.6896;-3.7954,-2.7696,-.4226;2.0987,.7765,-2.1522;.5865,3.6829,.6262;2.434,2.8268,-.7946; oldchk=/home/apulgar/almacen/pesticidas/6_herbicides/pyridate/gaussian/octanol/ #P B3LYP 6-311+G(d,p) EmpiricalDispersion=gd3 scrf=(smd,Solvent=n-Octa 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=1,70=32201,72=25,74=-5,116=-2,124=31/1,2,3,8 4/5=1/1 5/5=2,38=6,53=25/2 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 pyridate CONF5 octanol 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 40 41 42 43 44 45 46 47 48 35 32 16 16 14 14 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 34.9688527 31.9720718 15.9949146 15.9949146 14.0030740 14.0030740 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 3 0 0 0 2 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 14.2400000 13.6000000 5.6000000 5.6000000 4.5500000 4.5500000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 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 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 729 A 704 A 704 1115 729 100 100 2459.7590946431 48 48 48 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 -0.0560979484 PCM SMD-Coulomb. Total charges None On-the-fly selection n-Octanol 9.862900 2.043470 0.000000 7.506545 0.000000 5.094016 2.553549 0.000000 5.967840 2.674411 2.275370 0.000000 3.872857 5.894386 3.649969 4.171635 0.000000 2.615560 6.550086 4.118817 4.772144 1.333596 0.000000 10.706162 4.763371 6.165994 5.217331 7.591869 8.769585 0.000000 11.578644 5.660626 6.986954 6.423070 8.300661 9.540398 1.530589 0.000000 9.935254 3.349616 5.114729 4.328429 7.202163 8.265426 1.530953 2.557667 0.000000 12.482081 7.065946 8.177456 7.486176 8.978352 10.270686 2.558261 1.530934 3.928012 0.000000 9.140492 2.847933 4.567116 3.238647 6.719111 7.652583 2.543605 3.915043 1.529741 5.098139 0.000000 13.459792 8.109095 9.161710 8.742449 9.893778 11.205177 3.930773 2.561833 5.118781 1.531698 6.435250 0.000000 8.645446 1.846617 3.998315 2.932471 6.820237 7.557212 3.929915 5.134361 2.578146 6.457240 1.527339 7.693695 0.000000 14.466809 9.492370 10.413496 9.880741 10.771459 12.101010 5.112393 3.927672 6.447542 2.554319 7.649896 1.530219 8.998222 0.000000 5.995764 1.760685 1.378089 1.201404 4.310237 4.912892 5.232172 6.260004 4.132768 7.468666 3.329026 8.599484 2.747561 9.847917 0.000000 3.966491 3.866421 1.384228 2.695218 2.379536 2.734647 6.876345 7.695613 6.043616 8.721819 5.449955 9.704217 5.096953 10.837736 2.359230 0.000000 4.420815 4.587310 2.440854 3.131535 1.336286 2.327345 6.539429 7.270262 6.004260 8.100402 5.555755 9.045551 5.589370 10.051018 3.079278 1.412643 0.000000 5.896709 4.381640 2.949440 3.257439 2.401825 3.652153 5.308260 5.921312 4.982664 6.672644 4.798189 7.587881 5.173235 8.573091 3.193524 2.546232 1.481160 0.000000 6.770998 3.913057 2.987578 3.735368 3.574933 4.736001 4.788085 5.149927 4.357815 6.051274 4.545860 6.814337 4.893217 7.938661 3.271817 3.115675 2.509020 1.401553 0.000000 6.650481 5.251095 4.151727 3.766258 2.918696 4.214487 5.067145 5.725136 5.115403 6.197416 4.910525 7.188396 5.619236 7.984353 4.068199 3.691229 2.491554 1.401146 2.419904 0.000000 2.723746 4.820392 2.370392 3.578745 2.757952 2.401476 8.191646 9.052591 7.306778 10.083959 6.593559 11.074260 6.066418 12.198196 3.354164 1.370702 2.406892 3.785916 4.431662 4.822438 0.000000 8.129979 4.451734 4.197480 4.563692 4.734210 5.979803 3.918814 3.990666 3.826361 4.781331 4.415482 5.449750 5.098917 6.568396 4.186557 4.468060 3.784272 2.421865 1.392663 2.789333 5.805127 0.000000 8.029823 5.654762 5.086301 4.581872 4.262865 5.577769 4.247408 4.703470 4.661513 4.961357 4.780293 5.908546 5.789235 6.623200 4.826936 4.883525 3.772036 2.420970 2.789048 1.391805 6.106022 2.413863 0.000000 8.687003 5.304169 5.108694 4.934554 5.014471 6.335871 3.589625 3.700397 3.997654 4.102133 4.534917 4.888960 5.546169 5.790604 4.880955 5.201357 4.279191 2.798192 2.415801 2.416269 6.522995 1.394050 1.395427 0.000000 1.751871 6.098243 3.615543 4.519453 2.286434 1.317430 9.011685 9.848431 8.295816 10.737695 7.588469 11.708117 7.231216 12.719822 4.521927 2.339476 2.670640 4.149118 5.045150 4.960988 1.396470 6.393915 6.327403 6.943614 0.000000 10.089612 4.896765 5.870550 4.811001 6.815876 8.025039 1.096661 2.154277 2.152687 2.771110 2.717089 4.195666 4.178327 5.206930 4.984334 6.381070 5.872294 4.598278 4.295195 4.150300 7.695594 3.462676 3.274233 2.847180 8.384363 0.000000 11.424692 5.392263 6.954246 5.739370 8.390813 9.537061 1.097724 2.161151 2.161225 2.798155 2.813982 4.234097 4.222139 5.249466 5.891280 7.671631 7.370228 6.195972 5.798906 5.842678 8.944341 4.982014 5.025167 4.538490 9.764432 1.756096 0.000000 11.024546 5.385197 6.469234 6.239477 7.721730 8.968560 2.154195 1.097488 2.767150 2.156875 4.158747 2.776685 5.228231 4.206037 5.935670 7.145518 6.690754 5.324465 4.394207 5.278486 8.510456 3.159865 4.300045 3.090057 9.288056 2.507536 3.062263 0.000000 12.277296 5.869473 7.490626 7.001626 9.153971 10.357593 2.160900 1.097955 2.798287 2.159672 4.245102 2.799969 5.291726 4.222756 6.739918 8.338534 8.052514 6.764114 5.886378 6.696791 9.675576 4.785132 5.745948 4.694501 10.568602 3.061953 2.510027 1.755698 0.000000 10.722835 3.655264 5.768599 5.101646 8.169612 9.189185 2.164224 2.836707 1.097710 4.260266 2.162243 5.307395 2.795589 6.690569 4.794868 6.831506 6.928737 5.968481 5.233399 6.189205 8.048329 4.691705 5.728851 4.968783 9.125091 3.061418 2.485148 3.157619 2.633489 0.000000 9.367048 2.940614 4.466158 4.152318 6.604074 7.678660 2.151905 2.736486 1.095422 4.169874 2.156405 5.172589 2.839637 6.568991 3.719871 5.410630 5.368378 4.329584 3.490623 4.678660 6.707848 2.982221 4.303615 3.469578 7.705561 2.530094 3.058590 2.491502 3.052253 1.758382 0.000000 13.123929 7.525262 8.807088 7.881671 9.679554 10.950872 2.797343 2.159587 4.231238 1.098076 5.260189 2.158779 6.661991 2.776987 7.966017 9.381003 8.801890 7.413233 6.891719 6.859544 10.724777 5.694195 5.651075 4.960341 11.396251 3.105612 2.588487 3.063004 2.505414 4.447888 4.717560 0.000000 11.941543 7.138850 7.940886 7.188408 8.320367 9.629395 2.770779 2.157632 4.194206 1.098257 5.166626 2.157438 6.590827 2.777364 7.278520 8.321449 7.558872 6.111905 5.661036 5.462774 9.669061 4.411560 4.152227 3.469282 10.201699 2.530529 3.101787 2.515775 3.063817 4.765306 4.364728 1.755471 0.000000 9.895901 3.776255 5.530553 3.931701 7.534620 8.443028 2.767761 4.226748 2.160057 5.240971 1.097478 6.655826 2.116230 7.767365 4.223574 6.357466 6.442962 5.701988 5.560797 5.634712 7.438780 5.356228 5.423399 5.282532 8.393156 3.008508 2.590352 4.715076 4.478934 2.521009 3.062640 5.172105 5.350568 0.000000 8.402519 3.062952 4.138316 2.581356 5.806259 6.770739 2.777893 4.172241 2.159996 5.187627 1.093495 6.563921 2.154314 7.682648 2.932214 4.790472 4.726723 3.961938 3.964393 3.937287 5.953543 3.951134 3.914777 3.924459 6.819359 2.498455 3.167681 4.304934 4.742451 3.066107 2.500883 5.428152 5.022861 1.755130 0.000000 14.065849 8.260027 9.552241 9.181866 10.618656 11.908041 4.223219 2.786642 5.249291 2.157685 6.650346 1.097233 7.808082 2.160194 8.958695 10.221882 9.684649 8.260645 7.382310 7.983500 11.589783 6.049342 6.766459 5.673858 12.320222 4.732219 4.433899 3.088821 2.575537 5.208468 5.348064 2.511226 3.061719 6.831031 6.948544 0.000000 12.969451 7.910600 8.760737 8.593523 9.395804 10.704907 4.205012 2.785993 5.219829 2.156790 6.576062 1.097369 7.747540 2.159956 8.353506 9.259314 8.570499 7.115857 6.249910 6.819752 10.620608 4.862488 5.574534 4.429587 11.224291 4.374889 4.750467 2.549639 3.123374 5.482955 5.040760 3.062016 2.506122 6.966012 6.635747 1.755426 0.000000 9.527700 2.351852 4.798343 3.981866 7.830087 8.550124 4.237624 5.298790 2.823312 6.684297 2.178988 7.839588 1.093219 9.193119 3.662680 6.002243 6.568025 6.128656 5.688835 6.614818 6.930812 5.783466 6.686061 6.291623 8.159089 4.728516 4.419104 5.462030 5.227731 2.596135 3.170675 6.822801 6.986221 2.503983 3.073367 7.800681 7.944519 0.000000 8.326536 2.403006 4.132367 2.688919 6.829134 7.432239 4.720299 6.043586 3.520777 7.276356 2.180838 8.588669 1.090683 9.828529 2.813107 5.104340 5.691046 5.489586 5.460539 5.880068 5.903011 5.828251 6.213378 6.192033 7.032555 4.831729 4.884489 6.187526 6.255562 3.785480 3.844430 7.408335 7.326740 2.434250 2.510507 8.749165 8.679795 1.767832 0.000000 14.035985 9.584261 10.264335 9.697428 10.261218 11.593455 5.263661 4.248615 6.652672 2.820393 7.737625 2.179175 9.135158 1.095552 9.742960 10.552942 9.653399 8.177762 7.676952 7.463147 11.891997 6.335204 6.075717 5.394314 12.303881 5.126304 5.459724 4.433777 4.781282 7.060358 6.731403 3.135623 2.596014 7.884624 7.614894 3.078290 2.524383 9.454298 9.907649 0.000000 15.204606 10.257049 11.154605 10.774269 11.501436 12.831685 6.043424 4.739653 7.294441 3.507935 8.572122 2.184121 9.865683 1.094677 10.667583 11.584926 10.793045 9.314301 8.598363 8.788744 12.944047 7.208904 7.435067 6.527250 13.459985 6.185132 6.231271 4.885045 4.908645 7.472246 7.331508 3.784115 3.783071 8.737069 8.634131 2.505193 2.504524 10.016736 10.739758 1.768271 0.000000 15.062476 9.877321 10.952949 10.226843 11.399701 12.720913 5.279133 4.249634 6.676715 2.821743 7.802155 2.179142 9.187726 1.095521 10.270880 11.413277 10.662231 9.198546 8.630741 8.547404 12.771576 7.292665 7.192802 6.462592 13.318672 5.437406 5.185589 4.766955 4.440826 6.848556 6.966733 2.597234 3.139906 7.765725 7.891734 2.524297 3.078121 9.333671 9.969775 1.767695 1.768191 0.000000 6.547439 3.619691 2.567271 3.936145 3.860371 4.825542 5.389647 5.694407 4.708094 6.742468 4.907408 7.420422 4.950665 8.637081 3.174255 2.907841 2.726877 2.158362 1.083139 3.403678 4.127874 2.147200 3.872149 3.395116 4.902532 5.066792 6.412469 4.879418 6.283526 5.433550 3.734628 7.598340 6.478945 5.982546 4.486669 7.876335 6.804454 5.644297 5.541412 8.462989 9.235358 9.352916 0.000000 6.314981 5.891760 4.607611 3.967555 2.702776 3.865950 5.818768 6.596392 5.899110 6.975356 5.481557 8.027002 6.153308 8.717671 4.506266 3.913509 2.688804 2.152258 3.400296 1.083500 4.831368 3.872813 2.152573 3.399802 4.737737 4.841543 6.474883 6.245100 7.586452 6.984349 5.576614 7.545829 6.171744 6.088873 4.428299 8.859784 7.721421 7.202169 6.238758 8.123810 9.555839 9.220493 4.297719 0.000000 2.909334 4.804371 2.620841 3.900507 3.839213 3.379967 8.675191 9.570486 7.643389 10.699730 6.867959 11.703094 6.109985 12.894517 3.555781 2.146134 3.402077 4.686394 5.165912 5.768614 1.081591 6.522222 7.005484 7.332084 2.181672 8.283752 9.391362 9.054626 10.101874 8.275790 7.070326 11.309679 10.367538 7.688033 6.358157 12.142890 11.271037 6.871483 5.873572 12.655325 13.640340 13.443655 4.717780 5.814295 0.000000 8.873295 4.585102 4.685716 5.256005 5.654888 6.848841 3.950001 3.691551 3.796085 4.590941 4.685457 5.041128 5.298782 6.276526 4.702730 5.157926 4.652969 3.401411 2.146086 3.873189 6.474917 1.083874 3.397974 2.153606 7.166627 3.768847 5.046907 2.696737 4.315756 4.465024 2.841852 5.568827 4.436036 5.636166 4.460595 5.505099 4.358267 5.804831 6.162890 6.191786 6.811867 7.052221 2.465856 4.956669 7.092656 0.000000 8.712144 6.525475 6.051091 5.278170 4.946755 6.219777 4.504031 4.957744 5.189279 4.911953 5.274071 5.884862 6.429484 6.374340 5.686196 5.789461 4.636985 3.401546 3.873323 2.146691 6.950594 3.397506 1.084310 2.154175 7.063142 3.445318 5.111185 4.728203 6.044729 6.249357 5.013590 5.481485 3.958766 5.737931 4.393062 6.825680 5.673497 7.320659 6.790436 5.707441 7.228938 6.861987 4.956438 2.475984 7.869918 4.295781 0.000000 9.769272 5.979161 6.084441 5.816790 6.072046 7.399113 3.335127 3.096404 4.087684 3.206024 4.874316 3.879327 6.037038 4.716789 5.767884 6.262354 5.363003 3.881995 3.397382 3.398153 7.594408 2.151946 2.153925 1.083819 8.026869 2.688198 4.225524 2.539630 4.124975 4.959610 3.688663 4.125040 2.533100 5.500344 4.409343 4.734188 3.436676 6.670517 6.756482 4.321216 5.450625 5.417960 4.288712 4.295358 8.382293 2.481801 2.482922 0.000000 C19H23ClN2O2S 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 0 0 0 0 0 0 0 0 0 355.7334999999997 AuxInfo=1/0/N:7;8;9;10;11;12;13;14;15;16;17;18;19;20;21;22;23;24;25;1;5;6;3;4;2;26;27;28;29;30;31;32;33;34;35;36;37;38;39;40;41;42;43;44;45;46;47;48/rA:48nCl0S0O0O0N0N0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:6.7584,-.7637,.092;.2756,2.9087,-.8223;2.1547,1.1811,-.8944;1.3783,1.5643,1.2098;3.1366,-2.1146,.3289;4.4625,-1.9822,.3833;-3.7851,.9759,.7475;-4.758,.3784,-.272;-2.7942,1.9667,.1309;-5.7207,-.6453,.3354;-1.7396,2.4374,1.1341;-6.6689,-1.2762,-.6889;-.7581,3.4777,.598;-7.6259,-2.2976,-.0705;1.3335,1.7889,.0304;2.9312,.1224,-.4557;2.3551,-1.1136,-.0868;.8968,-1.3711,-.1177;.1186,-.9814,-1.2163;.2875,-2.0317,.9573;4.2928,.2751,-.4184;-1.247,-1.2539,-1.2383;-1.0793,-2.2928,.934;-1.8493,-1.9064,-.1637;5.0102,-.8434,.011;-3.2243,.1637,1.2256;-4.3505,1.4724,1.5468;-4.1839,-.0994,-1.0761;-5.3344,1.1847,-.7444;-3.3367,2.8333,-.2687;-2.2974,1.4888,-.7203;-6.3109,-.1649,1.127;-5.1414,-1.439,.8259;-2.2353,2.898,1.9981;-1.1846,1.5768,1.5176;-7.2469,-.4841,-1.1813;-6.0772,-1.7593,-1.4767;-1.2806,4.3492,.1947;-.0721,3.8227,1.3727;-7.0752,-3.1183,.4021;-8.2902,-2.7334,-.8236;-8.2537,-1.8346,.6987;.5805,-.4799,-2.0579;.8863,-2.3264,1.8109;4.7673,1.2089,-.6882;-1.8388,-.9553,-2.0959;-1.5449,-2.7939,1.7754;-2.9142,-2.1074,-.1787; 0.3592834 0.0873289 0.0743048 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= 704 RedAO= T EigKep= 1.92D-06 NBF= 704 NBsUse= 701 1.00D-06 EigRej= 9.90D-07 NBFU= 701 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= 707 707 707 707 707 MxSgAt= 48 MxSgA2= 48. 1 Closed 1 1 1 -1856.59471448118 -1856.59471448122 -0.000000000033 -1856.59471448 2 1.850599928145e+03 -9.281292620798e+03 3.114397662424e+03 Using DIIS extrapolation, IDIIS= 1040. NGot= 11324620800 LenX= 11323543994 LenY= 11323011824 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 3.9327 315.27 0.0056 0.000 97 101 0.49676 98 101 -0.31702 99 101 -0.37304 100 101 -0.10343 -1856.45019165 2 Singlet-A 4.2123 294.34 0.0552 0.000 100 101 0.68880 3 Singlet-A 4.3719 283.60 0.0077 0.000 97 102 0.47367 98 102 -0.29113 99 102 -0.40928 4 Singlet-A 4.4211 280.44 0.0017 0.000 97 101 0.24989 98 101 -0.29811 99 101 0.57526 5 Singlet-A 4.6099 268.95 0.3317 0.000 97 101 0.16906 98 101 0.16771 100 102 0.64568 6 Singlet-A 4.6713 265.41 0.0912 0.000 97 101 0.39015 98 101 0.51531 100 102 -0.25021 7 Singlet-A 4.7283 262.22 0.0142 0.000 97 102 0.25392 98 101 0.11050 98 102 -0.32474 99 102 0.51875 100 103 -0.12273 100 104 -0.14800 8 Singlet-A 4.9878 248.58 0.0216 0.000 97 102 0.44006 98 102 0.52460 99 102 0.13857 9 Singlet-A 5.3194 233.08 0.0198 0.000 90 102 -0.10865 92 102 -0.14701 94 102 -0.11561 96 101 0.63576 96 102 -0.10634 10 Singlet-A 5.4422 227.82 0.0344 0.000 94 101 -0.13626 98 102 -0.10205 99 102 0.10719 99 105 -0.16283 100 103 0.62581 PT21897.100S 2023-04-27T17:59:25.000 -101.57372 -88.87714 -19.20873 -19.14683 -14.37204 -14.37178 -10.34987 -10.29185 -10.28580 -10.24970 -10.22497 -10.20755 -10.19948 -10.18492 -10.18349 -10.18105 -10.18008 -10.17974 -10.16692 -10.15668 -10.15624 -10.15383 -10.15371 -10.15347 -10.14980 -9.48834 -7.96370 -7.25302 -7.24325 -7.24263 -5.92747 -5.92310 -5.91827 -1.15077 -1.06835 -1.05076 -0.91056 -0.87684 -0.85416 -0.82953 -0.82229 -0.80158 -0.77680 -0.76243 -0.75621 -0.74499 -0.71162 -0.69084 -0.67958 -0.64219 -0.62275 -0.61345 -0.60367 -0.59009 -0.57400 -0.56929 -0.56577 -0.54008 -0.52364 -0.51051 -0.49909 -0.48193 -0.47859 -0.47548 -0.47289 -0.46072 -0.45801 -0.45097 -0.44716 -0.43589 -0.43202 -0.42829 -0.42482 -0.41954 -0.40704 -0.39449 -0.38984 -0.38067 -0.37279 -0.36947 -0.36766 -0.36251 -0.35926 -0.35347 -0.35207 -0.34157 -0.33583 -0.33397 -0.33057 -0.32095 -0.32063 -0.31780 -0.31525 -0.30778 -0.30372 -0.30136 -0.27277 -0.27082 -0.26216 -0.25655 -0.07764 -0.06536 -0.02977 -0.01874 -0.01149 -0.00153 0.00051 0.00463 0.01105 0.01316 0.01805 0.02080 0.02562 0.03153 0.03583 0.03714 0.04175 0.04739 0.04917 0.05136 0.05421 0.05715 0.06229 0.06661 0.06831 0.07097 0.07356 0.07629 0.08071 0.08263 0.08288 0.08686 0.09189 0.09316 0.09508 0.09753 0.10181 0.10574 0.10713 0.11053 0.11527 0.11766 0.11873 0.12195 0.12333 0.12437 0.12904 0.13098 0.13220 0.13745 0.13817 0.14373 0.14550 0.15026 0.15212 0.15681 0.15811 0.15935 0.16118 0.16415 0.16560 0.17007 0.17527 0.17610 0.17711 0.18121 0.18224 0.18507 0.18835 0.19088 0.19560 0.19617 0.19814 0.19927 0.20385 0.20508 0.20635 0.20859 0.21259 0.21456 0.21653 0.21817 0.21918 0.22198 0.22423 0.22712 0.22941 0.23206 0.23319 0.23684 0.23840 0.24031 0.24165 0.24434 0.24774 0.24966 0.25087 0.25501 0.25533 0.25634 0.25872 0.26258 0.26485 0.26618 0.27040 0.27138 0.27462 0.27673 0.28164 0.28431 0.28590 0.29110 0.29570 0.29586 0.29875 0.29961 0.30230 0.30892 0.31001 0.31180 0.31653 0.31874 0.32211 0.32643 0.32843 0.33394 0.33455 0.34094 0.34324 0.35028 0.35246 0.35345 0.35654 0.36003 0.36254 0.36857 0.37027 0.37128 0.37585 0.37837 0.38535 0.38954 0.39229 0.39936 0.40035 0.41324 0.41947 0.42672 0.43089 0.43363 0.44253 0.44674 0.44893 0.45476 0.46220 0.46394 0.46965 0.47554 0.48512 0.48920 0.50105 0.50269 0.50973 0.51302 0.52167 0.53551 0.54481 0.54595 0.54948 0.55331 0.55540 0.56266 0.56417 0.57425 0.57722 0.58096 0.58513 0.59267 0.60027 0.60374 0.60943 0.61238 0.62124 0.63026 0.63421 0.63912 0.64448 0.64766 0.65363 0.65457 0.65701 0.66108 0.66244 0.66912 0.67631 0.67745 0.68253 0.68613 0.69141 0.69632 0.69847 0.70427 0.70561 0.70861 0.71276 0.71411 0.72461 0.72602 0.73088 0.73610 0.74154 0.74675 0.75047 0.75210 0.75347 0.76144 0.76557 0.77372 0.77499 0.77866 0.78384 0.78569 0.79603 0.80247 0.80590 0.81079 0.81729 0.82303 0.82758 0.83068 0.83534 0.84370 0.84950 0.85108 0.85344 0.86073 0.86779 0.87294 0.87611 0.88128 0.88688 0.88882 0.89722 0.89964 0.90334 0.91259 0.91660 0.92341 0.92610 0.93450 0.93759 0.94693 0.95349 0.95921 0.96787 0.97043 0.98151 0.98781 0.99219 1.00003 1.00408 1.01675 1.01790 1.02982 1.03587 1.04310 1.04638 1.05251 1.05822 1.06618 1.07644 1.08295 1.08696 1.09789 1.10873 1.11637 1.12291 1.12617 1.12871 1.13971 1.16148 1.17019 1.17250 1.17432 1.19485 1.20705 1.21765 1.23226 1.24553 1.25454 1.25813 1.26278 1.27177 1.28024 1.30170 1.30563 1.31059 1.31374 1.33142 1.34238 1.34984 1.35356 1.36269 1.37529 1.39213 1.42114 1.43061 1.45100 1.47015 1.48066 1.48431 1.50114 1.50575 1.50723 1.51695 1.53112 1.53317 1.54066 1.54392 1.55339 1.56044 1.56484 1.57131 1.57558 1.58511 1.58880 1.59487 1.60165 1.60453 1.61051 1.61606 1.61931 1.62390 1.62435 1.63149 1.64027 1.64598 1.65168 1.65961 1.66773 1.67101 1.67468 1.68065 1.68969 1.69436 1.69676 1.70397 1.70819 1.72024 1.73150 1.73831 1.74515 1.75130 1.75978 1.76265 1.76876 1.77490 1.77849 1.78882 1.79175 1.79786 1.80383 1.81196 1.81559 1.81989 1.82243 1.83662 1.84345 1.85613 1.86197 1.86469 1.87578 1.88457 1.89791 1.90557 1.91392 1.92969 1.93125 1.93790 1.95290 1.95490 1.96709 1.97594 1.98243 1.98891 1.99245 1.99836 2.00301 2.01761 2.03442 2.04084 2.05215 2.06622 2.07115 2.07508 2.08061 2.09257 2.09907 2.10422 2.10972 2.13227 2.14235 2.15855 2.16576 2.17102 2.19113 2.20923 2.22916 2.23277 2.23911 2.25623 2.26434 2.26515 2.27803 2.28917 2.29244 2.31923 2.33422 2.34643 2.34875 2.35726 2.37167 2.38616 2.38977 2.40254 2.42650 2.43419 2.43669 2.44174 2.44428 2.45750 2.46700 2.47006 2.47930 2.49040 2.51145 2.51795 2.52730 2.53351 2.55112 2.56642 2.57136 2.57815 2.58568 2.58995 2.60735 2.61029 2.61898 2.63840 2.64257 2.64716 2.65060 2.65664 2.66302 2.67620 2.68023 2.68533 2.69252 2.69660 2.71886 2.72519 2.72874 2.73052 2.73634 2.74413 2.75318 2.75399 2.75869 2.77322 2.77973 2.79057 2.79738 2.81061 2.81876 2.82214 2.82415 2.82769 2.83768 2.84818 2.85040 2.87045 2.87818 2.88973 2.90040 2.90983 2.91549 2.93014 2.94045 2.94406 2.95540 2.95790 2.96397 2.96570 2.97400 2.98851 3.01273 3.01548 3.03124 3.04067 3.04209 3.04994 3.07166 3.09289 3.10441 3.12849 3.15104 3.17216 3.17993 3.19290 3.21034 3.22022 3.25696 3.27101 3.28393 3.30068 3.35115 3.36434 3.38596 3.41312 3.44289 3.45895 3.51889 3.52433 3.52862 3.57400 3.58384 3.59774 3.64616 3.69857 3.73284 3.77133 3.78532 3.80235 3.81856 3.81965 3.82153 3.83940 3.86222 3.86867 3.88452 3.89660 3.98856 4.01202 4.02341 4.03399 4.04456 4.06565 4.06964 4.08338 4.12408 4.15341 4.17382 4.19146 4.19585 4.28352 4.36209 4.41013 4.42250 4.56251 4.57755 4.84639 5.10650 5.14327 5.21390 5.33428 5.54797 5.63631 5.90322 7.98611 9.76984 17.36546 17.48384 17.52497 23.57237 23.71461 23.77917 23.84912 23.88501 23.88621 23.90429 23.90738 23.92021 23.92469 23.94018 23.94207 23.96647 23.98063 24.01426 24.07679 24.09865 24.10315 24.19177 25.80789 26.04301 26.55782 35.53405 35.59915 49.92343 49.97122 189.16510 215.76096 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 40 41 42 43 44 45 46 47 48 Cl S O O N N C C C C C C C C C C C C C C C C C C C H H H H H H H H H H H H H H H H H H H H H H H 0.539495 0.392020 -0.021837 -0.174032 -0.045083 0.029397 0.009959 -0.252881 -0.078236 -0.384431 -0.419623 -0.223243 -0.606899 -0.665500 -0.317234 0.076334 -0.799422 1.115628 -0.643031 -0.274818 0.450411 -0.451564 -0.511481 -0.026140 -0.390496 0.135315 0.144248 0.144580 0.141056 0.147298 0.134435 0.142537 0.143601 0.164275 0.168890 0.140546 0.136912 0.225629 0.231212 0.139451 0.145004 0.141110 0.171662 0.163585 0.201159 0.162513 0.161891 0.185795 0.00000 -5.4448 5.5200 -1.7093 7.9396 -173.4778 -168.2991 -165.3076 15.4002 -8.4439 1.5830 -4.4497 0.7290 3.7206 15.4002 -8.4439 1.5830 -46.2036 104.3770 -1.7903 -55.6985 109.3072 -32.7813 4.6503 -3.4615 15.2781 4.0195 -15490.7825 -3394.5678 -734.2733 341.8620 -120.5303 48.5811 34.0762 -4.5294 -8.1409 -3256.1981 -2646.7848 -688.1122 55.5233 -40.6291 -8.0028 (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A) (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(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-FRESNEDILLAS APULGAR 2023-04-27T00:00:00.000 0 Electronic spectrum pyridate CONF5 octanol 0 1 Version=EM64L-G16RevC.01 State=1-A HF=-1856.5947145 RMSD=5.242e-10 PG=C01 [X(C19H23Cl1N2O2S1)] 0 -6.3632937023 -1.4181093613 -0.6310880185 0 0.932816066 -2.8303039707 0.4275430192 0 -1.3016840456 -1.9636668349 -0.4536842352 0 -0.859557202 -1.2842823172 1.6724079976 0 -3.3668195439 1.0337316655 -0.7240446615 0 -4.5902635398 0.5032997031 -0.7066126366 0 3.9318759565 0.7544813542 1.346594252 0 4.8756315526 1.2269106816 0.2380643112 0 3.3872411973 -0.6579000722 1.1177489169 0 5.3863304816 2.6554547865 0.4435109131 0 2.3344918117 -1.0523040616 2.1551840754 0 6.2985119154 3.1471755011 -0.6844222866 0 1.7973055831 -2.4756816403 2.0203062765 0 6.802378598 4.5758173778 -0.4683894766 0 -0.5336815398 -1.8914687288 0.6882834041 0 -2.4082249717 -1.1353737973 -0.528422455 0 -2.2757463305 0.26568601 -0.651062786 0 -0.966472651 0.9572175098 -0.688769558 0 0.0811874418 0.4753704011 -1.4853757968 0 -0.7765656067 2.1216685255 0.0670080978 0 -3.656568034 -1.7014166087 -0.5207968507 0 1.2972852446 1.1527809096 -1.5269735044 0 0.4441292251 2.7891866538 0.0289947424 0 1.4828811934 2.3078246811 -0.7688150185 0 -4.7222565759 -0.8049189518 -0.6243766085 0 3.0892297258 1.4524121681 1.4207852394 0 4.4515557714 0.7947827939 2.3126725178 0 4.3537831354 1.1656799709 -0.7254735139 0 5.7302901403 0.5412605274 0.1677250133 0 4.2128800149 -1.3810570532 1.1359333166 0 2.9470699125 -0.7106440051 0.1160420419 0 5.92644685 2.7151453028 1.3977029994 0 4.5289779888 3.3356660871 0.53531549 0 2.7665236414 -0.9800834535 3.1614599653 0 1.5017828974 -0.3442470677 2.1238549731 0 7.1544906587 2.4672241443 -0.7786927673 0 5.7555337882 3.0907801817 -1.6363746238 0 2.6061383604 -3.2109905502 2.0357333263 0 1.100316828 -2.7219993201 2.8222558963 0 5.9678802817 5.2825278075 -0.4020086862 0 7.4498231746 4.9021430976 -1.2885382632 0 7.377302705 4.654945548 0.4607855876 0 -0.0576229315 -0.4176109209 -2.08245777 0 -1.5827418312 2.4909848682 0.6896300711 0 -3.7953512882 -2.7695616406 -0.4225895925 0 2.0987052941 0.7764703313 -2.1521931775 0 0.5865207233 3.6829472561 0.6261916582 0 2.43400643 2.8268223725 -0.7946350381 Gaussian 16 27-Apr-2023 Gaussian 16 3-Jul-2019 EM64L-G16RevC.01 138 C1[X(C19H23ClN2O2S)] RB3LYP 6-311+G(3df,2p) SP #P B3LYP 6-311+G(3df,2p) EmpiricalDispersion=gd3 scrf=(smd,Solvent=n-Octanol) 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 0 0 0 0 0 0 0 0 0 355.7334999999997 AuxInfo=1/0/N:7;8;9;10;11;12;13;14;15;16;17;18;19;20;21;22;23;24;25;1;5;6;3;4;2;26;27;28;29;30;31;32;33;34;35;36;37;38;39;40;41;42;43;44;45;46;47;48/rA:48nCl0S0O0O0N0N0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:-6.3633,-1.4181,-.6311;.9328,-2.8303,.4275;-1.3017,-1.9637,-.4537;-.8596,-1.2843,1.6724;-3.3668,1.0337,-.724;-4.5903,.5033,-.7066;3.9319,.7545,1.3466;4.8756,1.2269,.2381;3.3872,-.6579,1.1177;5.3863,2.6555,.4435;2.3345,-1.0523,2.1552;6.2985,3.1472,-.6844;1.7973,-2.4757,2.0203;6.8024,4.5758,-.4684;-.5337,-1.8915,.6883;-2.4082,-1.1354,-.5284;-2.2757,.2657,-.6511;-.9665,.9572,-.6888;.0812,.4754,-1.4854;-.7766,2.1217,.067;-3.6566,-1.7014,-.5208;1.2973,1.1528,-1.527;.4441,2.7892,.029;1.4829,2.3078,-.7688;-4.7223,-.8049,-.6244;3.0892,1.4524,1.4208;4.4516,.7948,2.3127;4.3538,1.1657,-.7255;5.7303,.5413,.1677;4.2129,-1.3811,1.1359;2.9471,-.7106,.116;5.9264,2.7151,1.3977;4.529,3.3357,.5353;2.7665,-.9801,3.1615;1.5018,-.3442,2.1239;7.1545,2.4672,-.7787;5.7555,3.0908,-1.6364;2.6061,-3.211,2.0357;1.1003,-2.722,2.8223;5.9679,5.2825,-.402;7.4498,4.9021,-1.2885;7.3773,4.6549,.4608;-.0576,-.4176,-2.0825;-1.5827,2.491,.6896;-3.7954,-2.7696,-.4226;2.0987,.7765,-2.1522;.5865,3.6829,.6262;2.434,2.8268,-.7946; oldchk=/home/apulgar/almacen/pesticidas/6_herbicides/pyridate/gaussian/octanol/ #P B3LYP 6-311+G(3df,2p) EmpiricalDispersion=gd3 scrf=(smd,Solvent=n-O 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=1,70=32201,72=25,74=-5,116=-2,124=31/1,2,3 4/5=1/1 5/5=2,38=6,53=25/2 6/7=2,8=2,9=2,10=2,28=1/1 99/5=1,9=1/99 Single Point pyridate CONF5 octanol 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 40 41 42 43 44 45 46 47 48 35 32 16 16 14 14 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 34.9688527 31.9720718 15.9949146 15.9949146 14.0030740 14.0030740 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 3 0 0 0 2 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 14.2400000 13.6000000 5.6000000 5.6000000 4.5500000 4.5500000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 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 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 1348 A 1198 A 1198 1734 1348 100 100 2459.7590946431 48 48 48 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 -0.0560979484 PCM SMD-Coulomb. Total charges None On-the-fly selection n-Octanol 9.862900 2.043470 0.000000 7.506545 0.000000 5.094016 2.553549 0.000000 5.967840 2.674411 2.275370 0.000000 3.872857 5.894386 3.649969 4.171635 0.000000 2.615560 6.550086 4.118817 4.772144 1.333596 0.000000 10.706162 4.763371 6.165994 5.217331 7.591869 8.769585 0.000000 11.578644 5.660626 6.986954 6.423070 8.300661 9.540398 1.530589 0.000000 9.935254 3.349616 5.114729 4.328429 7.202163 8.265426 1.530953 2.557667 0.000000 12.482081 7.065946 8.177456 7.486176 8.978352 10.270686 2.558261 1.530934 3.928012 0.000000 9.140492 2.847933 4.567116 3.238647 6.719111 7.652583 2.543605 3.915043 1.529741 5.098139 0.000000 13.459792 8.109095 9.161710 8.742449 9.893778 11.205177 3.930773 2.561833 5.118781 1.531698 6.435250 0.000000 8.645446 1.846617 3.998315 2.932471 6.820237 7.557212 3.929915 5.134361 2.578146 6.457240 1.527339 7.693695 0.000000 14.466809 9.492370 10.413496 9.880741 10.771459 12.101010 5.112393 3.927672 6.447542 2.554319 7.649896 1.530219 8.998222 0.000000 5.995764 1.760685 1.378089 1.201404 4.310237 4.912892 5.232172 6.260004 4.132768 7.468666 3.329026 8.599484 2.747561 9.847917 0.000000 3.966491 3.866421 1.384228 2.695218 2.379536 2.734647 6.876345 7.695613 6.043616 8.721819 5.449955 9.704217 5.096953 10.837736 2.359230 0.000000 4.420815 4.587310 2.440854 3.131535 1.336286 2.327345 6.539429 7.270262 6.004260 8.100402 5.555755 9.045551 5.589370 10.051018 3.079278 1.412643 0.000000 5.896709 4.381640 2.949440 3.257439 2.401825 3.652153 5.308260 5.921312 4.982664 6.672644 4.798189 7.587881 5.173235 8.573091 3.193524 2.546232 1.481160 0.000000 6.770998 3.913057 2.987578 3.735368 3.574933 4.736001 4.788085 5.149927 4.357815 6.051274 4.545860 6.814337 4.893217 7.938661 3.271817 3.115675 2.509020 1.401553 0.000000 6.650481 5.251095 4.151727 3.766258 2.918696 4.214487 5.067145 5.725136 5.115403 6.197416 4.910525 7.188396 5.619236 7.984353 4.068199 3.691229 2.491554 1.401146 2.419904 0.000000 2.723746 4.820392 2.370392 3.578745 2.757952 2.401476 8.191646 9.052591 7.306778 10.083959 6.593559 11.074260 6.066418 12.198196 3.354164 1.370702 2.406892 3.785916 4.431662 4.822438 0.000000 8.129979 4.451734 4.197480 4.563692 4.734210 5.979803 3.918814 3.990666 3.826361 4.781331 4.415482 5.449750 5.098917 6.568396 4.186557 4.468060 3.784272 2.421865 1.392663 2.789333 5.805127 0.000000 8.029823 5.654762 5.086301 4.581872 4.262865 5.577769 4.247408 4.703470 4.661513 4.961357 4.780293 5.908546 5.789235 6.623200 4.826936 4.883525 3.772036 2.420970 2.789048 1.391805 6.106022 2.413863 0.000000 8.687003 5.304169 5.108694 4.934554 5.014471 6.335871 3.589625 3.700397 3.997654 4.102133 4.534917 4.888960 5.546169 5.790604 4.880955 5.201357 4.279191 2.798192 2.415801 2.416269 6.522995 1.394050 1.395427 0.000000 1.751871 6.098243 3.615543 4.519453 2.286434 1.317430 9.011685 9.848431 8.295816 10.737695 7.588469 11.708117 7.231216 12.719822 4.521927 2.339476 2.670640 4.149118 5.045150 4.960988 1.396470 6.393915 6.327403 6.943614 0.000000 10.089612 4.896765 5.870550 4.811001 6.815876 8.025039 1.096661 2.154277 2.152687 2.771110 2.717089 4.195666 4.178327 5.206930 4.984334 6.381070 5.872294 4.598278 4.295195 4.150300 7.695594 3.462676 3.274233 2.847180 8.384363 0.000000 11.424692 5.392263 6.954246 5.739370 8.390813 9.537061 1.097724 2.161151 2.161225 2.798155 2.813982 4.234097 4.222139 5.249466 5.891280 7.671631 7.370228 6.195972 5.798906 5.842678 8.944341 4.982014 5.025167 4.538490 9.764432 1.756096 0.000000 11.024546 5.385197 6.469234 6.239477 7.721730 8.968560 2.154195 1.097488 2.767150 2.156875 4.158747 2.776685 5.228231 4.206037 5.935670 7.145518 6.690754 5.324465 4.394207 5.278486 8.510456 3.159865 4.300045 3.090057 9.288056 2.507536 3.062263 0.000000 12.277296 5.869473 7.490626 7.001626 9.153971 10.357593 2.160900 1.097955 2.798287 2.159672 4.245102 2.799969 5.291726 4.222756 6.739918 8.338534 8.052514 6.764114 5.886378 6.696791 9.675576 4.785132 5.745948 4.694501 10.568602 3.061953 2.510027 1.755698 0.000000 10.722835 3.655264 5.768599 5.101646 8.169612 9.189185 2.164224 2.836707 1.097710 4.260266 2.162243 5.307395 2.795589 6.690569 4.794868 6.831506 6.928737 5.968481 5.233399 6.189205 8.048329 4.691705 5.728851 4.968783 9.125091 3.061418 2.485148 3.157619 2.633489 0.000000 9.367048 2.940614 4.466158 4.152318 6.604074 7.678660 2.151905 2.736486 1.095422 4.169874 2.156405 5.172589 2.839637 6.568991 3.719871 5.410630 5.368378 4.329584 3.490623 4.678660 6.707848 2.982221 4.303615 3.469578 7.705561 2.530094 3.058590 2.491502 3.052253 1.758382 0.000000 13.123929 7.525262 8.807088 7.881671 9.679554 10.950872 2.797343 2.159587 4.231238 1.098076 5.260189 2.158779 6.661991 2.776987 7.966017 9.381003 8.801890 7.413233 6.891719 6.859544 10.724777 5.694195 5.651075 4.960341 11.396251 3.105612 2.588487 3.063004 2.505414 4.447888 4.717560 0.000000 11.941543 7.138850 7.940886 7.188408 8.320367 9.629395 2.770779 2.157632 4.194206 1.098257 5.166626 2.157438 6.590827 2.777364 7.278520 8.321449 7.558872 6.111905 5.661036 5.462774 9.669061 4.411560 4.152227 3.469282 10.201699 2.530529 3.101787 2.515775 3.063817 4.765306 4.364728 1.755471 0.000000 9.895901 3.776255 5.530553 3.931701 7.534620 8.443028 2.767761 4.226748 2.160057 5.240971 1.097478 6.655826 2.116230 7.767365 4.223574 6.357466 6.442962 5.701988 5.560797 5.634712 7.438780 5.356228 5.423399 5.282532 8.393156 3.008508 2.590352 4.715076 4.478934 2.521009 3.062640 5.172105 5.350568 0.000000 8.402519 3.062952 4.138316 2.581356 5.806259 6.770739 2.777893 4.172241 2.159996 5.187627 1.093495 6.563921 2.154314 7.682648 2.932214 4.790472 4.726723 3.961938 3.964393 3.937287 5.953543 3.951134 3.914777 3.924459 6.819359 2.498455 3.167681 4.304934 4.742451 3.066107 2.500883 5.428152 5.022861 1.755130 0.000000 14.065849 8.260027 9.552241 9.181866 10.618656 11.908041 4.223219 2.786642 5.249291 2.157685 6.650346 1.097233 7.808082 2.160194 8.958695 10.221882 9.684649 8.260645 7.382310 7.983500 11.589783 6.049342 6.766459 5.673858 12.320222 4.732219 4.433899 3.088821 2.575537 5.208468 5.348064 2.511226 3.061719 6.831031 6.948544 0.000000 12.969451 7.910600 8.760737 8.593523 9.395804 10.704907 4.205012 2.785993 5.219829 2.156790 6.576062 1.097369 7.747540 2.159956 8.353506 9.259314 8.570499 7.115857 6.249910 6.819752 10.620608 4.862488 5.574534 4.429587 11.224291 4.374889 4.750467 2.549639 3.123374 5.482955 5.040760 3.062016 2.506122 6.966012 6.635747 1.755426 0.000000 9.527700 2.351852 4.798343 3.981866 7.830087 8.550124 4.237624 5.298790 2.823312 6.684297 2.178988 7.839588 1.093219 9.193119 3.662680 6.002243 6.568025 6.128656 5.688835 6.614818 6.930812 5.783466 6.686061 6.291623 8.159089 4.728516 4.419104 5.462030 5.227731 2.596135 3.170675 6.822801 6.986221 2.503983 3.073367 7.800681 7.944519 0.000000 8.326536 2.403006 4.132367 2.688919 6.829134 7.432239 4.720299 6.043586 3.520777 7.276356 2.180838 8.588669 1.090683 9.828529 2.813107 5.104340 5.691046 5.489586 5.460539 5.880068 5.903011 5.828251 6.213378 6.192033 7.032555 4.831729 4.884489 6.187526 6.255562 3.785480 3.844430 7.408335 7.326740 2.434250 2.510507 8.749165 8.679795 1.767832 0.000000 14.035985 9.584261 10.264335 9.697428 10.261218 11.593455 5.263661 4.248615 6.652672 2.820393 7.737625 2.179175 9.135158 1.095552 9.742960 10.552942 9.653399 8.177762 7.676952 7.463147 11.891997 6.335204 6.075717 5.394314 12.303881 5.126304 5.459724 4.433777 4.781282 7.060358 6.731403 3.135623 2.596014 7.884624 7.614894 3.078290 2.524383 9.454298 9.907649 0.000000 15.204606 10.257049 11.154605 10.774269 11.501436 12.831685 6.043424 4.739653 7.294441 3.507935 8.572122 2.184121 9.865683 1.094677 10.667583 11.584926 10.793045 9.314301 8.598363 8.788744 12.944047 7.208904 7.435067 6.527250 13.459985 6.185132 6.231271 4.885045 4.908645 7.472246 7.331508 3.784115 3.783071 8.737069 8.634131 2.505193 2.504524 10.016736 10.739758 1.768271 0.000000 15.062476 9.877321 10.952949 10.226843 11.399701 12.720913 5.279133 4.249634 6.676715 2.821743 7.802155 2.179142 9.187726 1.095521 10.270880 11.413277 10.662231 9.198546 8.630741 8.547404 12.771576 7.292665 7.192802 6.462592 13.318672 5.437406 5.185589 4.766955 4.440826 6.848556 6.966733 2.597234 3.139906 7.765725 7.891734 2.524297 3.078121 9.333671 9.969775 1.767695 1.768191 0.000000 6.547439 3.619691 2.567271 3.936145 3.860371 4.825542 5.389647 5.694407 4.708094 6.742468 4.907408 7.420422 4.950665 8.637081 3.174255 2.907841 2.726877 2.158362 1.083139 3.403678 4.127874 2.147200 3.872149 3.395116 4.902532 5.066792 6.412469 4.879418 6.283526 5.433550 3.734628 7.598340 6.478945 5.982546 4.486669 7.876335 6.804454 5.644297 5.541412 8.462989 9.235358 9.352916 0.000000 6.314981 5.891760 4.607611 3.967555 2.702776 3.865950 5.818768 6.596392 5.899110 6.975356 5.481557 8.027002 6.153308 8.717671 4.506266 3.913509 2.688804 2.152258 3.400296 1.083500 4.831368 3.872813 2.152573 3.399802 4.737737 4.841543 6.474883 6.245100 7.586452 6.984349 5.576614 7.545829 6.171744 6.088873 4.428299 8.859784 7.721421 7.202169 6.238758 8.123810 9.555839 9.220493 4.297719 0.000000 2.909334 4.804371 2.620841 3.900507 3.839213 3.379967 8.675191 9.570486 7.643389 10.699730 6.867959 11.703094 6.109985 12.894517 3.555781 2.146134 3.402077 4.686394 5.165912 5.768614 1.081591 6.522222 7.005484 7.332084 2.181672 8.283752 9.391362 9.054626 10.101874 8.275790 7.070326 11.309679 10.367538 7.688033 6.358157 12.142890 11.271037 6.871483 5.873572 12.655325 13.640340 13.443655 4.717780 5.814295 0.000000 8.873295 4.585102 4.685716 5.256005 5.654888 6.848841 3.950001 3.691551 3.796085 4.590941 4.685457 5.041128 5.298782 6.276526 4.702730 5.157926 4.652969 3.401411 2.146086 3.873189 6.474917 1.083874 3.397974 2.153606 7.166627 3.768847 5.046907 2.696737 4.315756 4.465024 2.841852 5.568827 4.436036 5.636166 4.460595 5.505099 4.358267 5.804831 6.162890 6.191786 6.811867 7.052221 2.465856 4.956669 7.092656 0.000000 8.712144 6.525475 6.051091 5.278170 4.946755 6.219777 4.504031 4.957744 5.189279 4.911953 5.274071 5.884862 6.429484 6.374340 5.686196 5.789461 4.636985 3.401546 3.873323 2.146691 6.950594 3.397506 1.084310 2.154175 7.063142 3.445318 5.111185 4.728203 6.044729 6.249357 5.013590 5.481485 3.958766 5.737931 4.393062 6.825680 5.673497 7.320659 6.790436 5.707441 7.228938 6.861987 4.956438 2.475984 7.869918 4.295781 0.000000 9.769272 5.979161 6.084441 5.816790 6.072046 7.399113 3.335127 3.096404 4.087684 3.206024 4.874316 3.879327 6.037038 4.716789 5.767884 6.262354 5.363003 3.881995 3.397382 3.398153 7.594408 2.151946 2.153925 1.083819 8.026869 2.688198 4.225524 2.539630 4.124975 4.959610 3.688663 4.125040 2.533100 5.500344 4.409343 4.734188 3.436676 6.670517 6.756482 4.321216 5.450625 5.417960 4.288712 4.295358 8.382293 2.481801 2.482922 0.000000 C19H23ClN2O2S 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 0 0 0 0 0 0 0 0 0 355.7334999999997 AuxInfo=1/0/N:7;8;9;10;11;12;13;14;15;16;17;18;19;20;21;22;23;24;25;1;5;6;3;4;2;26;27;28;29;30;31;32;33;34;35;36;37;38;39;40;41;42;43;44;45;46;47;48/rA:48nCl0S0O0O0N0N0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:6.7584,-.7637,.092;.2756,2.9087,-.8223;2.1547,1.1811,-.8944;1.3783,1.5643,1.2098;3.1366,-2.1146,.3289;4.4625,-1.9822,.3833;-3.7851,.9759,.7475;-4.758,.3784,-.272;-2.7942,1.9667,.1309;-5.7207,-.6453,.3354;-1.7396,2.4374,1.1341;-6.6689,-1.2762,-.6889;-.7581,3.4777,.598;-7.6259,-2.2976,-.0705;1.3335,1.7889,.0304;2.9312,.1224,-.4557;2.3551,-1.1136,-.0868;.8968,-1.3711,-.1177;.1186,-.9814,-1.2163;.2875,-2.0317,.9573;4.2928,.2751,-.4184;-1.247,-1.2539,-1.2383;-1.0793,-2.2928,.934;-1.8493,-1.9064,-.1637;5.0102,-.8434,.011;-3.2243,.1637,1.2256;-4.3505,1.4724,1.5468;-4.1839,-.0994,-1.0761;-5.3344,1.1847,-.7444;-3.3367,2.8333,-.2687;-2.2974,1.4888,-.7203;-6.3109,-.1649,1.127;-5.1414,-1.439,.8259;-2.2353,2.898,1.9981;-1.1846,1.5768,1.5176;-7.2469,-.4841,-1.1813;-6.0772,-1.7593,-1.4767;-1.2806,4.3492,.1947;-.0721,3.8227,1.3727;-7.0752,-3.1183,.4021;-8.2902,-2.7334,-.8236;-8.2537,-1.8346,.6987;.5805,-.4799,-2.0579;.8863,-2.3264,1.8109;4.7673,1.2089,-.6882;-1.8388,-.9553,-2.0959;-1.5449,-2.7939,1.7754;-2.9142,-2.1074,-.1787; 0.3592834 0.0873289 0.0743048 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= 1198 RedAO= T EigKep= 1.11D-06 NBF= 1198 NBsUse= 1195 1.00D-06 EigRej= 5.67D-07 NBFU= 1195 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= 1291 1288 1291 1291 1291 MxSgAt= 48 MxSgA2= 48. 1 Closed 1 1 1 -1856.60045769807 -1856.67413161125 -0.073673913181 -1856.67398845608 0.000143155169 -1856.67462790155 -0.000639445474 -1856.67466980769 -0.000041906140 -1856.67467507140 -0.000005263705 -1856.67467603343 -0.000000962028 -1856.67467606029 -0.000000026860 -1856.67467606913 -0.000000008844 -1856.67467606943 -0.000000000297 -1856.67467606988 -0.000000000452 -1856.67467606973 0.000000000147 -1856.67467607 12 1.850268353749e+03 -9.281516800647e+03 3.114873455080e+03 Using DIIS extrapolation, IDIIS= 1040. NGot= 11324620800 LenX= 11320963410 LenY= 11319144958 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. PT20754.100S 2023-04-27T18:42:43.000 -101.57141 -88.87572 -19.20689 -19.14402 -14.36981 -14.36945 -10.34539 -10.28855 -10.28229 -10.24650 -10.22160 -10.20553 -10.19765 -10.18322 -10.18184 -10.17938 -10.17850 -10.17820 -10.16575 -10.15581 -10.15541 -10.15299 -10.15288 -10.15263 -10.14875 -9.48620 -7.96118 -7.25011 -7.24151 -7.24091 -5.92460 -5.92067 -5.91648 -1.14546 -1.06319 -1.04563 -0.90652 -0.87406 -0.85068 -0.82667 -0.81930 -0.80046 -0.77533 -0.76010 -0.75450 -0.74330 -0.70933 -0.68807 -0.67722 -0.64075 -0.62065 -0.61146 -0.60161 -0.58854 -0.57327 -0.56877 -0.56263 -0.53810 -0.52142 -0.50855 -0.49701 -0.48066 -0.47684 -0.47352 -0.47107 -0.45992 -0.45596 -0.44902 -0.44589 -0.43429 -0.43097 -0.42700 -0.42361 -0.41890 -0.40621 -0.39383 -0.38898 -0.37994 -0.37133 -0.36873 -0.36627 -0.36191 -0.35874 -0.35222 -0.35123 -0.34007 -0.33500 -0.33323 -0.32983 -0.32041 -0.32014 -0.31656 -0.31523 -0.30633 -0.30316 -0.29994 -0.27167 -0.27004 -0.26158 -0.25566 -0.07628 -0.06463 -0.02975 -0.01884 -0.01139 -0.00370 -0.00070 0.00271 0.00957 0.01206 0.01551 0.01900 0.02423 0.02936 0.03423 0.03550 0.03929 0.04523 0.04762 0.04982 0.05259 0.05540 0.06016 0.06439 0.06604 0.06882 0.07145 0.07429 0.07843 0.08053 0.08099 0.08526 0.08917 0.09084 0.09291 0.09575 0.09963 0.10345 0.10532 0.10835 0.11162 0.11516 0.11538 0.11971 0.12058 0.12190 0.12595 0.12826 0.12972 0.13359 0.13534 0.14015 0.14154 0.14666 0.14846 0.15204 0.15397 0.15520 0.15736 0.16022 0.16131 0.16563 0.17069 0.17142 0.17310 0.17598 0.17688 0.17884 0.18222 0.18609 0.18748 0.18980 0.19148 0.19237 0.19647 0.19731 0.19778 0.20359 0.20493 0.20700 0.20726 0.21088 0.21232 0.21475 0.21684 0.21955 0.22179 0.22282 0.22535 0.22790 0.22871 0.23134 0.23517 0.23673 0.23857 0.24007 0.24240 0.24423 0.24749 0.24856 0.25107 0.25234 0.25484 0.25637 0.25964 0.26337 0.26433 0.26750 0.27245 0.27473 0.27715 0.28013 0.28127 0.28446 0.28486 0.28786 0.28999 0.29173 0.29228 0.29430 0.30043 0.30082 0.30377 0.30646 0.30920 0.31219 0.31688 0.32072 0.32123 0.32476 0.32612 0.33101 0.33249 0.33461 0.33768 0.34021 0.34264 0.34408 0.34776 0.34957 0.35071 0.35598 0.35728 0.35998 0.36463 0.36558 0.37083 0.37392 0.37787 0.38024 0.38231 0.38563 0.38772 0.39387 0.39526 0.39835 0.40410 0.40791 0.41255 0.41379 0.41696 0.42070 0.42419 0.42583 0.43165 0.43485 0.43779 0.43882 0.44273 0.44487 0.44894 0.45311 0.46236 0.46436 0.46716 0.47116 0.47397 0.47622 0.47963 0.48454 0.48661 0.48803 0.49441 0.49722 0.50033 0.50285 0.50891 0.51303 0.51537 0.52088 0.52480 0.52733 0.52995 0.53414 0.53546 0.53678 0.54144 0.54323 0.54580 0.55127 0.55420 0.55631 0.56265 0.56412 0.56911 0.57400 0.57811 0.58190 0.58572 0.58881 0.59193 0.59649 0.59939 0.59990 0.60158 0.60320 0.60446 0.60794 0.60923 0.61409 0.61701 0.61915 0.62195 0.62651 0.62973 0.63307 0.63362 0.63668 0.63790 0.64111 0.64573 0.64721 0.64806 0.65277 0.65848 0.66036 0.66327 0.66630 0.66873 0.67314 0.67419 0.67655 0.67918 0.68157 0.68596 0.69291 0.69418 0.69819 0.70176 0.70540 0.70574 0.70868 0.71396 0.71813 0.72388 0.72938 0.73362 0.73775 0.74223 0.74292 0.74691 0.74889 0.75466 0.75683 0.76306 0.76543 0.76823 0.77325 0.77833 0.78196 0.78452 0.78980 0.79318 0.79927 0.80425 0.80607 0.80921 0.81608 0.81723 0.82522 0.82647 0.82851 0.83218 0.83414 0.84199 0.84432 0.84910 0.86016 0.86642 0.87523 0.88149 0.88204 0.88632 0.89375 0.90191 0.90464 0.91146 0.91348 0.91938 0.92541 0.92940 0.93303 0.94249 0.94669 0.95263 0.95419 0.96443 0.96593 0.97216 0.97527 0.97687 0.98654 0.98977 0.99115 1.00121 1.00733 1.00906 1.01646 1.02111 1.02582 1.03553 1.03605 1.04110 1.04885 1.05271 1.06103 1.06240 1.06991 1.07652 1.07943 1.08620 1.08640 1.09102 1.09356 1.10266 1.10648 1.11100 1.11270 1.11835 1.12034 1.12456 1.12593 1.13033 1.13262 1.13685 1.13791 1.14109 1.14611 1.15153 1.15828 1.16095 1.16286 1.16729 1.16914 1.17189 1.17334 1.18143 1.18351 1.18549 1.18867 1.19303 1.19626 1.20115 1.20382 1.20773 1.21247 1.21669 1.21840 1.22101 1.22951 1.23182 1.23816 1.24008 1.24361 1.24441 1.24937 1.25311 1.25721 1.25928 1.26626 1.27109 1.27181 1.27840 1.28341 1.28909 1.29594 1.29622 1.30042 1.30231 1.30822 1.31397 1.31555 1.32021 1.32157 1.33062 1.33190 1.33311 1.34001 1.34352 1.34692 1.35012 1.35321 1.35605 1.36167 1.36502 1.37417 1.37609 1.37985 1.38641 1.38907 1.39545 1.39794 1.40051 1.40520 1.40931 1.41158 1.41660 1.42042 1.42612 1.42858 1.43335 1.43692 1.44443 1.44665 1.44957 1.45715 1.45948 1.46178 1.46769 1.47575 1.47899 1.48112 1.48591 1.49120 1.49479 1.50288 1.50765 1.51131 1.51550 1.52454 1.52684 1.53249 1.53296 1.53733 1.54037 1.54097 1.54471 1.55198 1.55582 1.57009 1.57228 1.57576 1.58185 1.59507 1.59631 1.60519 1.60782 1.61124 1.61980 1.62601 1.63088 1.63723 1.64236 1.64661 1.64878 1.65549 1.66068 1.66361 1.66658 1.68052 1.68395 1.68997 1.69551 1.69922 1.70206 1.71269 1.71977 1.72497 1.72645 1.73660 1.74034 1.74844 1.76140 1.76860 1.76902 1.77399 1.78350 1.78718 1.79689 1.80184 1.81440 1.81728 1.82250 1.83049 1.84183 1.85155 1.85942 1.86754 1.87642 1.88146 1.88449 1.89553 1.89685 1.89800 1.90721 1.91050 1.91385 1.92815 1.93144 1.93651 1.93991 1.95251 1.95996 1.96521 1.97201 1.98487 1.98866 1.99512 1.99973 2.00782 2.01473 2.02659 2.03643 2.03936 2.04176 2.05076 2.05596 2.05973 2.07058 2.07537 2.08136 2.08944 2.09286 2.10859 2.11479 2.11884 2.12270 2.12661 2.13866 2.14183 2.15375 2.15866 2.16047 2.16531 2.17715 2.18638 2.19085 2.19608 2.20734 2.21239 2.21895 2.22146 2.22411 2.23431 2.23912 2.24866 2.25628 2.25813 2.26767 2.28095 2.29151 2.29604 2.31441 2.31636 2.32642 2.34177 2.34859 2.35542 2.36073 2.37455 2.38757 2.39553 2.39719 2.40566 2.41941 2.42725 2.43872 2.44083 2.45052 2.45549 2.48115 2.48765 2.49436 2.50692 2.52521 2.52916 2.53736 2.55122 2.56311 2.56808 2.58427 2.59530 2.61034 2.64101 2.65257 2.66794 2.68222 2.69327 2.70384 2.73674 2.74401 2.75284 2.75615 2.76005 2.76358 2.77187 2.79755 2.80847 2.81590 2.82362 2.83022 2.83441 2.83985 2.84440 2.85243 2.85963 2.86422 2.87659 2.88597 2.88836 2.89147 2.89710 2.90149 2.91266 2.92003 2.92250 2.93176 2.93971 2.94048 2.95113 2.95850 2.96391 2.96583 2.96807 2.97436 2.97956 2.98437 2.99432 3.00124 3.01271 3.02124 3.03203 3.03660 3.03974 3.04674 3.04818 3.06053 3.06405 3.06501 3.07599 3.08173 3.08635 3.10066 3.10434 3.10969 3.11803 3.12144 3.12783 3.12897 3.13712 3.14347 3.15875 3.16466 3.17092 3.17828 3.18303 3.18893 3.19754 3.19974 3.21054 3.21731 3.22178 3.22377 3.22802 3.23117 3.23852 3.24158 3.24731 3.25067 3.25357 3.25813 3.26868 3.27155 3.28174 3.28868 3.29393 3.29571 3.30243 3.30316 3.31068 3.31733 3.31858 3.32580 3.33464 3.33920 3.34295 3.35052 3.35261 3.36963 3.37055 3.37716 3.38586 3.39219 3.40339 3.40709 3.41503 3.41858 3.41956 3.42833 3.43313 3.44717 3.45306 3.46477 3.47489 3.48261 3.48627 3.49173 3.50962 3.51554 3.52646 3.54192 3.54837 3.56625 3.57375 3.57988 3.58595 3.59021 3.59104 3.59809 3.60737 3.62317 3.62743 3.63327 3.64571 3.64716 3.66492 3.66904 3.67675 3.68138 3.69010 3.70114 3.71160 3.71344 3.72269 3.72588 3.73182 3.73560 3.74521 3.74811 3.76031 3.77844 3.78596 3.80609 3.80924 3.82791 3.83072 3.84620 3.85190 3.86811 3.87568 3.87936 3.87995 3.89200 3.89481 3.90951 3.91695 3.92240 3.93451 3.94897 3.95994 3.96355 3.98441 4.00250 4.00661 4.01634 4.03796 4.04982 4.07524 4.09006 4.09544 4.11399 4.12196 4.14101 4.14720 4.17167 4.17970 4.19197 4.20047 4.20950 4.22200 4.22382 4.22716 4.24196 4.24437 4.25182 4.26331 4.27054 4.27332 4.29237 4.29719 4.30062 4.30773 4.31698 4.32663 4.32939 4.33273 4.34077 4.34509 4.35303 4.36577 4.36878 4.37738 4.38128 4.38574 4.38972 4.39900 4.40507 4.41486 4.42552 4.43132 4.43597 4.44564 4.45317 4.47140 4.47497 4.47909 4.48360 4.49103 4.49385 4.49791 4.50569 4.51863 4.52097 4.52770 4.53469 4.54183 4.55285 4.56196 4.57782 4.58104 4.59040 4.59755 4.60096 4.61278 4.62087 4.62385 4.63040 4.63426 4.64640 4.65712 4.66534 4.67748 4.67862 4.68158 4.69244 4.69375 4.70341 4.71370 4.73094 4.73835 4.77181 4.78943 4.79437 4.80083 4.81277 4.83225 4.83623 4.84312 4.85728 4.86407 4.87674 4.88009 4.89768 4.91989 4.92981 4.94791 4.96720 4.97353 4.99454 5.03048 5.07218 5.09263 5.10555 5.12450 5.13517 5.15022 5.15330 5.17273 5.22006 5.25393 5.26225 5.29320 5.30146 5.32921 5.35275 5.35559 5.36309 5.38787 5.40585 5.42762 5.43451 5.45056 5.49052 5.49321 5.50483 5.53488 5.55752 5.56371 5.57472 5.58861 5.59617 5.60693 5.61575 5.62277 5.65874 5.70542 5.71829 5.73263 5.76719 5.79838 5.80036 5.81035 5.82092 5.84306 5.85965 5.86965 5.87576 5.89121 5.89562 5.89916 5.93094 5.96276 5.96576 5.98554 5.98786 6.01156 6.07905 6.11637 6.26731 6.31079 6.37643 6.45906 6.63996 6.66173 6.82954 6.91956 7.03798 7.09283 7.12098 7.13303 7.15903 7.16406 7.17837 7.18104 7.18840 7.19040 7.19837 7.21326 7.21942 7.22396 7.23105 7.25097 7.26421 7.27426 7.29183 7.30923 7.32164 7.32370 7.33074 7.34947 7.36117 7.36544 7.37453 7.38168 7.39673 7.39959 7.40430 7.41009 7.41182 7.43266 7.46068 7.46829 7.49116 7.50541 7.51006 7.54548 7.55260 7.57889 7.60902 7.62069 7.63861 7.65520 7.67541 7.68063 7.69426 7.70649 7.73322 7.74131 7.78692 7.80345 7.82076 7.84086 7.85441 7.87544 7.89187 7.90642 7.91587 7.95217 7.97363 7.97634 7.98556 7.99083 8.01239 8.02044 8.05773 8.06384 8.06783 8.09294 8.10458 8.15102 8.17568 8.20145 8.21383 8.23200 8.26925 8.27127 8.29984 8.31777 8.32520 8.34240 8.39578 8.43074 8.44083 8.46278 8.47157 8.52595 8.56858 8.61612 8.68147 8.75109 8.78372 8.82981 9.38805 10.02739 10.14168 10.23598 10.41503 10.46190 10.57793 10.84348 10.87863 10.95990 11.34646 11.96675 14.41606 14.42568 14.44077 14.45841 14.61015 14.68591 14.76605 14.86878 15.09558 15.18691 17.54323 17.93517 17.97391 24.02680 24.19811 24.26974 24.34877 24.35640 24.42066 24.48482 24.53252 24.55738 24.55957 24.94347 24.96788 24.98950 25.09082 25.23392 25.37256 25.41205 25.63785 25.79912 25.99116 26.89365 28.22032 36.13032 36.27979 50.23287 50.48203 189.52297 216.04474 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 40 41 42 43 44 45 46 47 48 Cl S O O N N C C C C C C C C C C C C C C C C C C C H H H H H H H H H H H H H H H H H H H H H H H -0.343774 -0.391824 -0.576042 -0.643812 -0.577985 -0.797997 -0.207534 -0.340372 -0.447719 -0.477664 0.168521 -0.100271 -0.507460 -0.612298 0.891769 0.559162 0.825039 0.952359 -0.503585 -0.485275 0.427759 -0.210156 -0.402610 -0.093342 0.124914 0.185684 0.149764 0.195796 0.149753 0.147256 0.187801 0.153899 0.177169 0.146861 0.169495 0.146320 0.147354 0.188301 0.185070 0.156060 0.145015 0.154716 0.153072 0.163635 0.184548 0.146754 0.151998 0.183877 -0.00000 -5.4113 5.4387 -1.7681 7.8733 -173.1676 -167.4789 -164.6812 14.6890 -8.3718 1.4176 -4.7250 0.9637 3.7613 14.6890 -8.3718 1.4176 -42.3857 103.1142 -2.0698 -53.2102 107.5460 -32.3031 5.6962 -2.8021 14.7261 3.3631 -15462.3528 -3382.1869 -732.6346 317.0112 -114.5383 40.9050 33.1582 -4.8561 -8.1133 -3244.9256 -2638.7635 -686.2583 53.7099 -39.5619 -8.3189 (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A) (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(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-FRESNEDILLAS APULGAR 2023-04-27T00:00:00.000 0 Single Point pyridateCONF5 octanol 0 1 Version=EM64L-G16RevC.01 State=1-A HF=-1856.6746761 RMSD=3.939e-09 Dipole=2.7281287,-1.4217655,0.361784 Quadrupole=-10.9655414,7.5902172,3.3753243,8.5651019,0.5243593,1.0934679 PG=C01 [X(C19H23Cl1N2O2S1)] 0 -6.3632937023 -1.4181093613 -0.6310880185 0 0.932816066 -2.8303039707 0.4275430192 0 -1.3016840456 -1.9636668349 -0.4536842352 0 -0.859557202 -1.2842823172 1.6724079976 0 -3.3668195439 1.0337316655 -0.7240446615 0 -4.5902635398 0.5032997031 -0.7066126366 0 3.9318759565 0.7544813542 1.346594252 0 4.8756315526 1.2269106816 0.2380643112 0 3.3872411973 -0.6579000722 1.1177489169 0 5.3863304816 2.6554547865 0.4435109131 0 2.3344918117 -1.0523040616 2.1551840754 0 6.2985119154 3.1471755011 -0.6844222866 0 1.7973055831 -2.4756816403 2.0203062765 0 6.802378598 4.5758173778 -0.4683894766 0 -0.5336815398 -1.8914687288 0.6882834041 0 -2.4082249717 -1.1353737973 -0.528422455 0 -2.2757463305 0.26568601 -0.651062786 0 -0.966472651 0.9572175098 -0.688769558 0 0.0811874418 0.4753704011 -1.4853757968 0 -0.7765656067 2.1216685255 0.0670080978 0 -3.656568034 -1.7014166087 -0.5207968507 0 1.2972852446 1.1527809096 -1.5269735044 0 0.4441292251 2.7891866538 0.0289947424 0 1.4828811934 2.3078246811 -0.7688150185 0 -4.7222565759 -0.8049189518 -0.6243766085 0 3.0892297258 1.4524121681 1.4207852394 0 4.4515557714 0.7947827939 2.3126725178 0 4.3537831354 1.1656799709 -0.7254735139 0 5.7302901403 0.5412605274 0.1677250133 0 4.2128800149 -1.3810570532 1.1359333166 0 2.9470699125 -0.7106440051 0.1160420419 0 5.92644685 2.7151453028 1.3977029994 0 4.5289779888 3.3356660871 0.53531549 0 2.7665236414 -0.9800834535 3.1614599653 0 1.5017828974 -0.3442470677 2.1238549731 0 7.1544906587 2.4672241443 -0.7786927673 0 5.7555337882 3.0907801817 -1.6363746238 0 2.6061383604 -3.2109905502 2.0357333263 0 1.100316828 -2.7219993201 2.8222558963 0 5.9678802817 5.2825278075 -0.4020086862 0 7.4498231746 4.9021430976 -1.2885382632 0 7.377302705 4.654945548 0.4607855876 0 -0.0576229315 -0.4176109209 -2.08245777 0 -1.5827418312 2.4909848682 0.6896300711 0 -3.7953512882 -2.7695616406 -0.4225895925 0 2.0987052941 0.7764703313 -2.1521931775 0 0.5865207233 3.6829472561 0.6261916582 0 2.43400643 2.8268223725 -0.7946350381