Gaussian 16 GINC-FUENLABRADA ALCAMI Optimization Pyridaben CONF131 water EM64L-G16RevC.01 5-Sep-2024 Gaussian 16 3-Jul-2019 EM64L-G16RevC.01 49 49 97 97 694 (5D, 7F) 6-311+G(d,p) 141 141 C1[X(C19H25ClN2OS)] C1[X(C19H25ClN2OS)] RB3LYP 6-311+G(d,p) FOpt #P B3LYP 6-311+G(d,p) EmpiricalDispersion=gd3 scrf=(smd,Solvent=Water) opt freq 339.7340999999997 0 1 AuxInfo=1/0/N:6;7;8;9;10;11;12;13;14;15;16;17;18;19;20;21;22;23;24;1;4;5;3;2;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/rA:49nCl0S0O0N0N0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:-1.971,-2.8089,-1.5018;-.0494,-3.3917,1.0833;-2.897,-.0787,-1.5546;-1.9641,.6155,.4228;-1.2574,.3605,1.5117;3.0562,2.3733,-.1273;-2.4424,2.0359,.2789;2.6059,.9187,-.1845;2.5551,3.1829,-1.3219;2.5156,3.0187,1.1542;4.5889,2.4276,-.1181;-3.97,2.0684,.2183;-1.8094,2.6646,-.9624;-2.0025,2.8478,1.4933;2.9882,.0311,.8282;1.8196,.4097,-1.2125;1.8006,-1.7931,-.2133;2.5942,-1.2942,.8186;1.422,-.9231,-1.226;-2.2424,-.3225,-.5504;1.2802,-3.1923,-.1832;-.9129,-1.8866,.7927;-1.6738,-1.6379,-.2981;-.7543,-.81,1.7039;2.907,4.2125,-1.2401;2.9219,2.788,-2.2709;1.4647,3.2153,-1.3691;1.4235,2.9986,1.1783;2.8775,2.5151,2.0517;2.83,4.0629,1.2154;4.9314,3.4638,-.0777;5.0136,1.9094,.7426;5.0053,1.9742,-1.0196;-4.405,1.5857,1.0944;-4.3784,1.6014,-.6727;-4.2948,3.1089,.2209;-2.1145,3.7097,-1.0179;-2.1091,2.1874,-1.8912;-.72,2.6431,-.8974;-.9194,2.8987,1.5972;-2.424,2.475,2.4256;-2.3675,3.8647,1.3492;3.6038,.3808,1.6481;1.4955,1.0457,-2.0248;2.8958,-1.9468,1.6296;.8037,-1.2824,-2.0405;.8979,-3.5006,-1.1549;2.0412,-3.9109,.1236;-.1792,-.9396,2.6101; g16 /usr/local/gaussian/gaussian16/g16/l1.exe "/temporal/alcami/opt-b3lyp-pople.com-6476379/Gau-2873194.inp" -scrdir="/temporal/alcami/opt-b3lyp-pople.com-6476379/" chk=opt-b3lyp-pople.chk #P B3LYP 6-311+G(d,p) EmpiricalDispersion=gd3 scrf=(smd,Solvent=Water) 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=1,74=-5,124=31/1,2,3 4//1 5/5=2,38=5,53=1/2 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=1,74=-5,124=31/1,2,3 4/5=5,16=3,69=1/1 5/5=2,38=5,53=1/2 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 Pyridaben CONF131 water 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 35 32 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 1 1 34.9688527 31.9720718 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 1.0078250 1.0078250 3 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 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 -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 R50 1 2 2 3 4 4 4 5 6 6 6 6 7 7 7 8 8 9 9 9 10 10 10 11 11 11 12 12 12 13 13 13 14 14 14 15 15 16 16 17 17 17 18 19 20 21 21 22 22 24 23 21 22 20 5 7 20 24 8 9 10 11 12 13 14 15 16 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 18 43 19 44 18 19 21 45 46 23 47 48 23 24 49 1.7055 1.847 1.7594 1.2232 1.323 1.5057 1.38 1.2885 1.5237 1.5277 1.5333 1.5337 1.5292 1.5286 1.5257 1.3998 1.3907 1.0912 1.0914 1.0919 1.0926 1.0909 1.0921 1.092 1.0907 1.0916 1.0907 1.0858 1.0901 1.0902 1.0864 1.0915 1.0893 1.0889 1.09 1.3827 1.0833 1.3909 1.0815 1.3941 1.3877 1.4932 1.0838 1.0838 1.4551 1.0887 1.0907 1.353 1.4193 1.0811 estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|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 A86 A87 A88 A89 21 5 5 7 4 8 8 8 9 9 10 4 4 4 12 12 13 6 6 15 6 6 6 25 25 26 6 6 6 28 28 29 6 6 6 31 31 32 7 7 7 34 34 35 7 7 7 37 37 38 7 7 7 40 40 41 8 8 18 8 8 19 18 18 19 15 15 17 16 16 17 3 3 4 2 2 2 17 17 47 2 2 23 1 1 20 5 5 22 2 4 4 4 5 6 6 6 6 6 6 7 7 7 7 7 7 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 21 21 21 22 22 22 23 23 23 24 24 24 22 7 20 20 24 9 10 11 10 11 11 12 13 14 13 14 14 15 16 16 25 26 27 26 27 27 28 29 30 29 30 30 31 32 33 32 33 33 34 35 36 35 36 36 37 38 39 38 39 39 40 41 42 41 42 42 18 43 43 19 44 44 19 21 21 17 45 45 17 46 46 4 23 23 17 47 48 47 48 48 23 24 24 20 22 22 22 49 49 98.4954 115.4775 123.8642 120.6467 120.4248 112.3072 109.2108 109.2343 108.3486 108.2839 109.415 109.9506 109.5123 109.5353 111.888 107.955 107.9435 119.8299 122.9743 117.1957 109.6082 112.2052 112.1583 107.3503 107.2959 107.9903 111.2869 112.1041 110.3516 107.7556 107.705 107.4468 110.3211 112.1431 111.1898 107.4306 107.763 107.8077 110.9287 113.5251 108.5347 108.5886 107.5599 107.4825 108.6491 113.5389 110.9115 107.4782 107.5286 108.5117 112.7996 112.8111 107.1405 108.6173 107.5739 107.6361 121.6656 119.8686 118.465 121.3006 120.6224 118.0763 118.1063 121.2539 120.4709 120.6874 119.5133 119.7942 121.0422 119.2065 119.751 123.4652 122.116 114.4128 111.4576 109.1897 103.7824 111.6966 112.3255 108.0325 124.5009 119.2089 116.168 115.4799 122.7392 121.7194 123.346 116.2084 120.4419 estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|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 D118 D119 D120 D121 22 22 22 21 21 7 20 5 5 5 20 20 20 5 5 7 7 4 4 9 9 10 10 11 11 8 8 8 10 10 10 11 11 11 8 8 8 9 9 9 11 11 11 8 8 8 9 9 9 10 10 10 4 4 4 13 13 13 14 14 14 4 4 4 12 12 12 14 14 14 4 4 4 12 12 12 13 13 13 6 6 16 16 6 6 15 15 8 8 43 43 8 8 44 44 19 19 21 21 18 18 21 21 18 18 18 19 19 19 3 3 4 4 2 2 24 24 2 2 23 23 2 2 2 2 2 4 4 4 4 4 4 4 4 4 4 4 4 5 5 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 7 7 7 7 7 7 7 7 7 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 15 15 15 15 16 16 16 16 17 17 17 17 17 17 17 17 17 17 17 17 17 17 20 20 20 20 22 22 22 22 22 22 22 22 21 21 21 22 22 5 5 7 7 7 7 7 7 20 20 20 20 24 24 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 15 15 15 15 16 16 16 16 18 18 18 18 19 19 19 19 18 18 18 18 19 19 19 19 21 21 21 21 21 21 23 23 23 23 23 23 23 23 24 24 24 24 17 47 48 23 24 24 24 12 13 14 12 13 14 3 23 3 23 22 49 15 16 15 16 15 16 25 26 27 25 26 27 25 26 27 28 29 30 28 29 30 28 29 30 31 32 33 31 32 33 31 32 33 34 35 36 34 35 36 34 35 36 37 38 39 37 38 39 37 38 39 40 41 42 40 41 42 40 41 42 18 43 18 43 19 44 19 44 17 45 17 45 17 46 17 46 15 45 15 45 16 46 16 46 2 47 48 2 47 48 1 22 1 22 1 20 1 20 5 49 5 49 41.6349 -82.2406 162.7442 72.0241 -103.7958 -177.145 1.6196 -119.9396 116.7352 -1.4644 61.2527 -62.0725 179.7279 179.9832 -0.8861 -1.3131 177.8177 -0.0382 179.269 179.4189 -0.44 -60.3634 119.7776 59.2666 -120.5923 -179.6379 -60.4714 61.2936 59.6461 178.8126 -59.4225 -58.9359 60.2305 -178.0045 -60.6198 60.1433 179.8661 61.9993 -177.2375 -57.5148 179.8618 -59.375 60.3477 179.9724 -60.3205 60.4683 57.3792 177.0864 -62.1249 -60.5238 59.1834 179.9722 56.123 -66.4731 174.086 178.0456 55.4495 -63.9913 -63.3214 174.0825 54.6417 -176.4475 64.0293 -58.4627 61.3787 -58.1444 179.3636 -57.2612 -176.7843 60.7237 61.8045 -61.733 179.9942 -178.4885 57.974 -60.2988 -57.3673 179.0952 60.8225 179.5873 -0.09 -0.5457 179.7769 -179.6309 0.0677 0.5067 -179.7947 0.2559 -178.9242 179.9377 0.7576 -0.1813 179.5962 -179.8874 -0.1099 0.0895 179.2673 -175.2073 3.9705 -0.1266 -179.9029 175.2085 -4.5678 71.7674 -165.7874 -44.2171 -103.419 19.0262 140.5965 0.4916 177.7129 -178.6523 -1.4309 3.886 -173.1317 179.8209 2.8032 174.0235 -5.2556 -2.1388 178.5822 estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|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 718 A 694 A 1095 718 2555.5714316457 49 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= 694 RedAO= T EigKep= 1.07D-06 NBF= 694 NBsUse= 692 1.00D-06 EigRej= 5.77D-07 NBFU= 692 Berny optimization. local minimum Step number 24 out of a maximum of 270 All quantities printed in internal units (Hartrees-Bohrs-Radians) 0.00301 0.00320 0.00330 0.00352 0.00387 0.00443 0.00507 0.00812 0.01010 0.01136 0.01598 0.01654 0.01705 0.01900 0.02055 0.02131 0.02200 0.02210 0.02228 0.02248 0.02261 0.02349 0.02489 0.02645 0.03015 0.04383 0.04570 0.04873 0.05168 0.05261 0.05353 0.05396 0.05410 0.05423 0.05461 0.05473 0.05608 0.05610 0.05701 0.05787 0.05842 0.05873 0.05949 0.06093 0.06182 0.06874 0.07292 0.09718 0.11510 0.14661 0.14921 0.15041 0.15325 0.15598 0.15774 0.15860 0.15959 0.15983 0.15997 0.15999 0.15999 0.16000 0.16000 0.16000 0.16000 0.16001 0.16004 0.16007 0.16009 0.16015 0.16036 0.16053 0.16151 0.16266 0.16334 0.16502 0.19415 0.20011 0.22082 0.22978 0.23126 0.23593 0.24177 0.24633 0.24943 0.25229 0.25588 0.26893 0.28211 0.29096 0.29172 0.29475 0.29554 0.29619 0.29837 0.30371 0.30457 0.31280 0.32397 0.33785 0.34246 0.34567 0.34575 0.34592 0.34623 0.34650 0.34661 0.34690 0.34713 0.34736 0.34785 0.34791 0.34801 0.34852 0.34897 0.34914 0.34997 0.35089 0.35135 0.35235 0.35552 0.35605 0.35662 0.35768 0.35871 0.36078 0.37795 0.39891 0.42514 0.43278 0.43686 0.46287 0.47165 0.47437 0.49017 0.51566 0.53828 0.60159 0.68105 0.92908 1.66496 -1.93987671e-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 R50 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 A86 A87 A88 A89 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 D118 D119 D120 D121 3.28147 3.56378 3.36796 2.33494 2.52948 2.88886 2.63981 2.45941 2.90193 2.90612 2.91987 2.91872 2.90222 2.90362 2.89461 2.65899 2.64170 2.06640 2.06703 2.06531 2.06630 2.06535 2.06842 2.06803 2.06448 2.06767 2.06570 2.05502 2.06455 2.06428 2.05604 2.06372 2.05991 2.06081 2.06417 2.62411 2.04797 2.63948 2.04429 2.64728 2.63642 2.83051 2.05074 2.04974 2.75804 2.05655 2.06179 2.57975 2.68971 2.04536 1.73232 2.01791 2.16322 2.10139 2.08812 1.96132 1.90031 1.91381 1.89272 1.88760 1.90745 1.90692 1.88957 1.91099 1.96216 1.89627 1.89755 2.09148 2.14652 2.04508 1.90835 1.94822 1.95391 1.88144 1.87895 1.89031 1.93361 1.94643 1.92170 1.88726 1.88827 1.88480 1.91885 1.95307 1.93385 1.88091 1.88738 1.88772 1.92594 1.96235 1.89215 1.90237 1.88787 1.89142 1.89573 1.96114 1.92268 1.89193 1.88979 1.90104 1.95728 1.95554 1.86863 1.89924 1.89032 1.89048 2.12333 2.09022 2.06959 2.11735 2.10393 2.06184 2.06069 2.11520 2.10427 2.10711 2.08976 2.08613 2.11275 2.08135 2.08902 2.13879 2.14718 1.99711 1.95544 1.88918 1.78478 1.95576 1.96422 1.90573 2.18991 2.06219 2.02812 2.01693 2.14048 2.12500 2.16287 2.02165 2.09836 0.68691 -1.47826 2.79427 1.16476 -1.89067 -3.06015 0.04221 -2.09261 2.04839 -0.01778 1.08671 -1.05547 -3.12164 3.11893 -0.03802 -0.06367 3.06256 0.00579 3.12030 3.08633 -0.07098 -1.09971 2.02617 0.98644 -2.17087 -3.13329 -1.05314 1.06927 1.04836 3.12851 -1.03226 -1.01831 1.06184 -3.09893 -1.05638 1.04672 3.13871 1.08266 -3.09742 -1.00543 3.13671 -1.04337 1.04861 3.13594 -1.05773 1.05064 0.99177 3.08128 -1.09353 -1.06548 1.02403 3.13240 1.01379 -1.11413 3.07834 3.11200 0.98408 -1.10663 -1.07018 3.08509 0.99438 -3.05713 1.13307 -0.98999 1.11784 -0.97515 -3.09820 -0.98243 -3.07542 1.08471 1.06420 -1.07765 3.13527 -3.13757 1.00377 -1.06650 -0.99700 -3.13885 1.07407 3.11669 -0.01395 -0.01009 -3.14072 -3.11655 0.01229 0.00972 3.13856 0.00233 -3.11882 3.13309 0.01194 -0.00165 3.12739 -3.13078 -0.00174 0.00600 3.12718 -3.05248 0.06870 -0.00635 -3.13533 3.05267 -0.07631 1.25443 -2.90125 -0.74548 -1.80199 0.32552 2.48129 0.01315 3.11344 -3.11300 -0.01270 0.09437 -3.00298 -3.13189 0.05394 3.01068 -0.10270 -0.05272 3.11708 0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00001 -0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 0.00001 -0.00001 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 -0.00001 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 0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00017 -0.00009 -0.00019 -0.00004 -0.00016 0.00001 -0.00014 -0.00001 -0.00004 -0.00000 0.00009 0.00005 -0.00002 -0.00001 -0.00002 -0.00002 0.00005 -0.00002 -0.00001 0.00002 0.00004 -0.00004 -0.00001 -0.00001 0.00002 -0.00001 -0.00001 0.00004 0.00001 0.00001 -0.00004 0.00002 0.00006 -0.00001 0.00001 -0.00004 0.00003 0.00009 0.00002 0.00001 0.00003 0.00002 -0.00001 0.00005 0.00010 -0.00002 0.00000 0.00011 0.00017 -0.00001 -0.00019 0.00008 0.00001 -0.00004 0.00017 -0.00004 0.00026 -0.00025 -0.00007 0.00007 0.00003 -0.00030 0.00044 -0.00011 -0.00009 0.00017 -0.00011 -0.00005 0.00011 -0.00004 0.00006 0.00024 -0.00012 -0.00013 0.00002 -0.00007 0.00006 0.00032 0.00004 -0.00017 -0.00011 -0.00016 0.00015 -0.00005 0.00002 -0.00000 -0.00004 -0.00008 0.00002 0.00003 0.00020 -0.00007 -0.00010 -0.00010 0.00003 0.00029 0.00018 -0.00022 -0.00019 -0.00012 0.00004 0.00020 0.00005 -0.00003 -0.00013 -0.00014 0.00003 0.00007 -0.00010 0.00002 -0.00002 0.00000 -0.00002 0.00011 -0.00014 0.00004 -0.00007 0.00003 -0.00003 0.00011 -0.00009 -0.00003 0.00005 -0.00002 -0.00075 0.00000 0.00019 0.00003 0.00055 -0.00001 0.00015 -0.00000 -0.00008 0.00001 -0.00004 0.00006 -0.00009 -0.00005 0.00014 0.00120 0.00166 0.00159 0.00007 -0.00086 -0.00185 -0.00041 0.00230 0.00232 0.00226 0.00091 0.00093 0.00087 0.00000 -0.00015 0.00151 0.00136 0.00016 0.00018 -0.00057 0.00012 -0.00050 0.00019 -0.00045 0.00024 -0.00079 -0.00076 -0.00077 -0.00104 -0.00101 -0.00102 -0.00107 -0.00104 -0.00106 0.00019 0.00024 0.00027 0.00026 0.00031 0.00034 0.00032 0.00037 0.00040 0.00018 0.00025 0.00012 0.00034 0.00041 0.00028 0.00037 0.00043 0.00031 0.00032 0.00037 0.00033 0.00061 0.00066 0.00062 0.00053 0.00058 0.00055 -0.00015 -0.00008 -0.00025 -0.00001 0.00006 -0.00012 -0.00009 -0.00002 -0.00020 0.00058 0.00045 0.00047 0.00025 0.00012 0.00014 0.00018 0.00005 0.00007 -0.00001 0.00014 -0.00066 -0.00051 -0.00015 -0.00027 0.00052 0.00040 0.00032 0.00029 0.00018 0.00015 -0.00006 -0.00066 0.00007 -0.00054 0.00016 0.00020 0.00085 0.00088 -0.00029 0.00031 -0.00096 -0.00036 -0.00135 -0.00187 -0.00145 -0.00065 -0.00118 -0.00076 -0.00021 0.00085 -0.00006 0.00101 -0.00101 -0.00215 -0.00010 -0.00124 0.00151 0.00149 0.00066 0.00064 0.00018 0.00007 0.00019 0.00004 0.00016 -0.00000 0.00013 0.00001 0.00003 -0.00001 -0.00009 -0.00005 0.00001 0.00001 0.00002 0.00001 -0.00005 0.00002 0.00001 -0.00002 -0.00004 0.00004 0.00001 0.00001 -0.00002 0.00001 0.00001 -0.00004 -0.00001 -0.00001 0.00004 -0.00002 -0.00007 0.00001 -0.00001 0.00005 -0.00003 -0.00010 -0.00002 -0.00002 -0.00002 -0.00001 0.00001 -0.00005 -0.00010 0.00002 -0.00000 -0.00012 -0.00017 0.00001 0.00019 -0.00009 -0.00000 0.00004 -0.00017 0.00001 -0.00023 0.00025 0.00006 -0.00007 -0.00002 0.00031 -0.00046 0.00012 0.00010 -0.00018 0.00011 0.00008 -0.00013 0.00004 -0.00006 -0.00024 0.00012 0.00013 -0.00001 0.00007 -0.00007 -0.00031 -0.00004 0.00017 0.00011 0.00016 -0.00016 0.00005 -0.00002 0.00001 0.00004 0.00009 -0.00002 -0.00003 -0.00020 0.00006 0.00010 0.00010 -0.00003 -0.00030 -0.00018 0.00021 0.00019 0.00012 -0.00003 -0.00020 -0.00005 0.00003 0.00013 0.00014 -0.00003 -0.00006 0.00009 -0.00002 0.00001 0.00001 0.00002 -0.00010 0.00013 -0.00004 0.00007 -0.00003 0.00003 -0.00012 0.00009 0.00003 -0.00004 0.00001 0.00075 0.00001 -0.00019 -0.00003 -0.00054 0.00001 -0.00013 -0.00002 0.00009 0.00000 0.00002 -0.00006 0.00009 0.00005 -0.00013 -0.00123 -0.00169 -0.00161 0.00000 0.00091 0.00189 0.00044 -0.00229 -0.00232 -0.00226 -0.00090 -0.00092 -0.00086 -0.00003 0.00012 -0.00155 -0.00140 -0.00018 -0.00017 0.00062 -0.00004 0.00054 -0.00012 0.00053 -0.00013 0.00081 0.00079 0.00079 0.00106 0.00103 0.00104 0.00109 0.00106 0.00107 -0.00021 -0.00025 -0.00028 -0.00030 -0.00034 -0.00037 -0.00036 -0.00040 -0.00043 -0.00023 -0.00029 -0.00017 -0.00036 -0.00042 -0.00029 -0.00038 -0.00044 -0.00031 -0.00041 -0.00046 -0.00043 -0.00072 -0.00076 -0.00073 -0.00063 -0.00068 -0.00065 0.00002 -0.00004 0.00014 -0.00012 -0.00018 0.00000 -0.00003 -0.00009 0.00008 -0.00060 -0.00047 -0.00049 -0.00026 -0.00013 -0.00015 -0.00018 -0.00006 -0.00008 0.00005 -0.00012 0.00067 0.00050 0.00012 0.00026 -0.00053 -0.00039 -0.00033 -0.00030 -0.00017 -0.00013 0.00005 0.00067 -0.00009 0.00053 -0.00017 -0.00020 -0.00086 -0.00089 0.00031 -0.00032 0.00098 0.00036 0.00129 0.00182 0.00139 0.00059 0.00112 0.00069 0.00020 -0.00084 0.00004 -0.00100 0.00103 0.00214 0.00013 0.00124 -0.00150 -0.00152 -0.00066 -0.00068 0.00000 -0.00002 0.00000 -0.00000 0.00000 0.00001 -0.00001 0.00000 -0.00001 -0.00001 -0.00000 0.00001 -0.00001 -0.00000 -0.00001 -0.00001 0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 -0.00001 0.00000 0.00000 0.00001 -0.00000 -0.00001 0.00000 -0.00001 0.00001 0.00001 0.00000 -0.00000 0.00001 -0.00000 0.00000 -0.00001 0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00003 0.00002 0.00001 -0.00001 -0.00000 0.00001 0.00001 -0.00002 0.00001 0.00001 -0.00001 0.00000 0.00002 -0.00002 -0.00000 0.00000 0.00000 -0.00001 0.00000 0.00000 -0.00000 -0.00000 0.00001 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00001 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 0.00001 -0.00001 0.00000 -0.00001 0.00001 -0.00000 0.00001 -0.00001 0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00001 0.00001 -0.00000 -0.00000 0.00001 -0.00000 -0.00001 0.00001 -0.00001 0.00002 -0.00002 0.00000 0.00001 -0.00001 -0.00000 -0.00000 -0.00000 0.00001 -0.00003 -0.00003 -0.00002 0.00007 0.00005 0.00004 0.00004 0.00001 0.00000 0.00001 0.00001 0.00001 0.00001 -0.00003 -0.00003 -0.00004 -0.00004 -0.00002 0.00001 0.00006 0.00009 0.00004 0.00007 0.00007 0.00010 0.00003 0.00003 0.00003 0.00002 0.00003 0.00002 0.00001 0.00002 0.00001 -0.00001 -0.00001 -0.00001 -0.00004 -0.00003 -0.00003 -0.00004 -0.00004 -0.00003 -0.00005 -0.00005 -0.00005 -0.00001 -0.00001 -0.00001 -0.00001 -0.00001 -0.00001 -0.00009 -0.00009 -0.00010 -0.00011 -0.00011 -0.00011 -0.00010 -0.00010 -0.00010 -0.00013 -0.00012 -0.00012 -0.00013 -0.00012 -0.00012 -0.00013 -0.00012 -0.00012 -0.00002 -0.00002 -0.00002 -0.00001 -0.00002 -0.00001 -0.00000 -0.00001 -0.00001 0.00004 0.00002 0.00001 -0.00001 -0.00003 -0.00002 -0.00000 0.00001 -0.00001 -0.00001 0.00001 0.00001 -0.00001 0.00001 -0.00002 -0.00000 -0.00000 -0.00000 -0.00001 -0.00001 0.00001 -0.00001 0.00002 -0.00000 -0.00006 -0.00005 -0.00006 -0.00007 -0.00005 -0.00007 -0.00002 0.00001 -0.00002 0.00001 0.00002 -0.00001 0.00003 -0.00000 0.00002 -0.00002 0.00000 -0.00003 3.28148 3.56376 3.36796 2.33494 2.52949 2.88887 2.63980 2.45941 2.90193 2.90611 2.91987 2.91873 2.90221 2.90362 2.89461 2.65898 2.64170 2.06640 2.06703 2.06531 2.06630 2.06535 2.06842 2.06803 2.06448 2.06767 2.06570 2.05502 2.06455 2.06428 2.05604 2.06372 2.05990 2.06081 2.06417 2.62412 2.04797 2.63948 2.04430 2.64727 2.63642 2.83052 2.05074 2.04974 2.75805 2.05654 2.06179 2.57974 2.68971 2.04536 1.73231 2.01791 2.16322 2.10138 2.08812 1.96129 1.90033 1.91382 1.89271 1.88760 1.90746 1.90692 1.88955 1.91099 1.96216 1.89626 1.89755 2.09150 2.14650 2.04508 1.90835 1.94822 1.95390 1.88144 1.87896 1.89031 1.93360 1.94644 1.92170 1.88725 1.88827 1.88479 1.91885 1.95307 1.93385 1.88091 1.88738 1.88773 1.92594 1.96235 1.89215 1.90237 1.88787 1.89142 1.89574 1.96114 1.92268 1.89193 1.88979 1.90104 1.95728 1.95554 1.86862 1.89925 1.89032 1.89048 2.12333 2.09022 2.06958 2.11735 2.10392 2.06185 2.06069 2.11521 2.10426 2.10712 2.08976 2.08613 2.11275 2.08135 2.08902 2.13878 2.14719 1.99710 1.95544 1.88920 1.78477 1.95575 1.96423 1.90572 2.18993 2.06217 2.02812 2.01694 2.14047 2.12500 2.16287 2.02164 2.09836 0.68687 -1.47829 2.79425 1.16482 -1.89062 -3.06010 0.04225 -2.09261 2.04840 -0.01777 1.08672 -1.05546 -3.12163 3.11890 -0.03805 -0.06371 3.06252 0.00577 3.12032 3.08638 -0.07089 -1.09967 2.02624 0.98651 -2.17077 -3.13327 -1.05311 1.06930 1.04838 3.12854 -1.03224 -1.01830 1.06186 -3.09892 -1.05640 1.04671 3.13870 1.08262 -3.09745 -1.00546 3.13666 -1.04341 1.04858 3.13590 -1.05778 1.05059 0.99176 3.08127 -1.09355 -1.06549 1.02402 3.13239 1.01369 -1.11423 3.07825 3.11189 0.98397 -1.10674 -1.07028 3.08499 0.99428 -3.05726 1.13295 -0.99011 1.11772 -0.97527 -3.09832 -0.98256 -3.07554 1.08459 1.06419 -1.07767 3.13525 -3.13758 1.00375 -1.06651 -0.99700 -3.13885 1.07407 3.11673 -0.01393 -0.01008 -3.14073 -3.11658 0.01227 0.00972 3.13857 0.00232 -3.11882 3.13310 0.01196 -0.00166 3.12740 -3.13080 -0.00175 0.00599 3.12718 -3.05249 0.06869 -0.00634 -3.13534 3.05269 -0.07631 1.25437 -2.90130 -0.74554 -1.80205 0.32547 2.48123 0.01313 3.11346 -3.11302 -0.01269 0.09439 -3.00300 -3.13186 0.05394 3.01069 -0.10273 -0.05272 3.11705 |Maximum Force|RMS Force|Maximum Displacement|RMS Displacement| 0.000008 0.000002 0.000439 0.000109 0.000450 0.000300 0.001800 0.001200 YES YES YES YES -1.910144e-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 R50 1 2 2 3 4 4 4 5 6 6 6 6 7 7 7 8 8 9 9 9 10 10 10 11 11 11 12 12 12 13 13 13 14 14 14 15 15 16 16 17 17 17 18 19 20 21 21 22 22 24 23 21 22 20 5 7 20 24 8 9 10 11 12 13 14 15 16 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 18 43 19 44 18 19 21 45 46 23 47 48 23 24 49 1.7365 1.8859 1.7822 1.2356 1.3385 1.5287 1.3969 1.3015 1.5356 1.5379 1.5451 1.5445 1.5358 1.5365 1.5318 1.4071 1.3979 1.0935 1.0938 1.0929 1.0934 1.0929 1.0946 1.0944 1.0925 1.0942 1.0931 1.0875 1.0925 1.0924 1.088 1.0921 1.0901 1.0905 1.0923 1.3886 1.0837 1.3968 1.0818 1.4009 1.3951 1.4978 1.0852 1.0847 1.4595 1.0883 1.0911 1.3651 1.4233 1.0824 -DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-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 A86 A87 A88 A89 21 5 5 7 4 8 8 8 9 9 10 4 4 4 12 12 13 6 6 15 6 6 6 25 25 26 6 6 6 28 28 29 6 6 6 31 31 32 7 7 7 34 34 35 7 7 7 37 37 38 7 7 7 40 40 41 8 8 18 8 8 19 18 18 19 15 15 17 16 16 17 3 3 4 2 2 2 17 17 47 2 2 23 1 1 20 5 5 22 2 4 4 4 5 6 6 6 6 6 6 7 7 7 7 7 7 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 21 21 21 22 22 22 23 23 23 24 24 24 22 7 20 20 24 9 10 11 10 11 11 12 13 14 13 14 14 15 16 16 25 26 27 26 27 27 28 29 30 29 30 30 31 32 33 32 33 33 34 35 36 35 36 36 37 38 39 38 39 39 40 41 42 41 42 42 18 43 43 19 44 44 19 21 21 17 45 45 17 46 46 4 23 23 17 47 48 47 48 48 23 24 24 20 22 22 22 49 49 99.2544 115.6179 123.9432 120.4006 119.6406 112.3751 108.8795 109.6532 108.4446 108.1515 109.289 109.2584 108.2643 109.4916 112.4232 108.6482 108.7216 119.8329 122.9867 117.1747 109.3401 111.6248 111.9509 107.7984 107.6561 108.3066 110.7875 111.5221 110.1053 108.1318 108.19 107.9908 109.942 111.9028 110.8016 107.7682 108.1388 108.1586 110.3481 112.4343 108.4123 108.9979 108.167 108.3704 108.6175 112.3653 110.1615 108.3998 108.2767 108.9215 112.1439 112.0445 107.0644 108.8187 108.3074 108.3164 121.6578 119.7606 118.5788 121.315 120.5462 118.1349 118.0688 121.192 120.5657 120.7288 119.7345 119.5264 121.0515 119.2527 119.6919 122.5434 123.0246 114.4258 112.0386 108.2421 102.2601 112.0568 112.5416 109.1904 125.4726 118.1547 116.2025 115.5613 122.6406 121.7536 123.9231 115.8317 120.227 -DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-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 D117 D118 D119 D120 22 22 22 21 21 7 20 5 5 5 20 20 20 5 5 7 7 4 4 9 9 10 10 11 11 8 8 8 10 10 10 11 11 11 8 8 8 9 9 9 11 11 11 8 8 8 9 9 9 10 10 10 4 4 4 13 13 13 14 14 14 4 4 4 12 12 12 14 14 14 4 4 4 12 12 12 13 13 13 6 6 16 16 6 6 15 15 8 8 43 43 8 8 44 44 19 19 21 21 18 18 21 21 18 18 18 19 19 19 3 3 4 4 2 2 24 24 2 2 23 2 2 2 2 2 4 4 4 4 4 4 4 4 4 4 4 4 5 5 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 7 7 7 7 7 7 7 7 7 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 15 15 15 15 16 16 16 16 17 17 17 17 17 17 17 17 17 17 17 17 17 17 20 20 20 20 22 22 22 22 22 22 22 21 21 21 22 22 5 5 7 7 7 7 7 7 20 20 20 20 24 24 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 15 15 15 15 16 16 16 16 18 18 18 18 19 19 19 19 18 18 18 18 19 19 19 19 21 21 21 21 21 21 23 23 23 23 23 23 23 23 24 24 24 17 47 48 23 24 24 24 12 13 14 12 13 14 3 23 3 23 22 49 15 16 15 16 15 16 25 26 27 25 26 27 25 26 27 28 29 30 28 29 30 28 29 30 31 32 33 31 32 33 31 32 33 34 35 36 34 35 36 34 35 36 37 38 39 37 38 39 37 38 39 40 41 42 40 41 42 40 41 42 18 43 18 43 19 44 19 44 17 45 17 45 17 46 17 46 15 45 15 45 16 46 16 46 2 47 48 2 47 48 1 22 1 22 1 20 1 20 5 49 5 39.3568 -84.6983 160.1001 66.7356 -108.3275 -175.3335 2.4187 -119.898 117.3642 -1.0186 62.264 -60.4739 -178.8567 178.7018 -2.1784 -3.6481 175.4717 0.3317 178.7802 176.8335 -4.0668 -63.0089 116.0908 56.5186 -124.3817 -179.5245 -60.3405 61.2648 60.0664 179.2505 -59.1443 -58.3452 60.8389 -177.5559 -60.5263 59.9728 179.8349 62.0318 -177.4691 -57.607 179.72 -59.781 60.0811 179.6763 -60.6037 60.1971 56.8244 176.5444 -62.6548 -61.0477 58.6724 179.4731 58.0858 -63.8351 176.3761 178.3043 56.3835 -63.4053 -61.3165 176.7626 56.9738 -175.1607 64.9199 -56.7223 64.0476 -55.8718 -177.514 -56.2892 -176.2085 62.1493 60.9743 -61.7445 179.6378 -179.7694 57.5117 -61.1059 -57.1237 -179.8426 61.5397 178.5731 -0.7991 -0.5781 -179.9502 -178.5651 0.704 0.557 179.8261 0.1333 -178.6951 179.5126 0.6842 -0.0943 179.1864 -179.3806 -0.0998 0.3436 179.1744 -174.8943 3.9365 -0.3637 -179.6413 174.9054 -4.3722 71.8734 -166.2294 -42.7128 -103.2463 18.651 142.1676 0.7533 178.3872 -178.3618 -0.7279 5.4067 -172.0583 -179.4443 3.0907 172.4992 -5.8845 -3.0208 -DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-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 -0.0667000199 PCM SMD-Coulomb. Total charges None On-the-fly selection Water 78.355300 1.777849 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 339.7340999999997 AuxInfo=1/0/N:6;7;8;9;10;11;12;13;14;15;16;17;18;19;20;21;22;23;24;1;4;5;3;2;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/rA:49nCl0S0O0N0N0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:-1.971,-2.8089,-1.5018;-.0494,-3.3917,1.0833;-2.897,-.0787,-1.5546;-1.9641,.6155,.4227;-1.2574,.3605,1.5117;3.0562,2.3733,-.1273;-2.4424,2.0359,.2789;2.6059,.9187,-.1845;2.5551,3.1829,-1.3219;2.5157,3.0187,1.1542;4.5889,2.4276,-.1181;-3.97,2.0684,.2183;-1.8094,2.6646,-.9623;-2.0025,2.8478,1.4933;2.9882,.0311,.8282;1.8196,.4097,-1.2125;1.8006,-1.7931,-.2133;2.5942,-1.2942,.8186;1.422,-.9231,-1.226;-2.2424,-.3225,-.5504;1.2802,-3.1923,-.1832;-.9129,-1.8866,.7927;-1.6738,-1.6378,-.2981;-.7543,-.81,1.7039;2.907,4.2125,-1.2401;2.9219,2.788,-2.2709;1.4647,3.2153,-1.3691;1.4235,2.9986,1.1783;2.8775,2.5151,2.0517;2.83,4.0629,1.2154;4.9314,3.4638,-.0777;5.0136,1.9094,.7426;5.0053,1.9742,-1.0196;-4.405,1.5857,1.0944;-4.3785,1.6014,-.6727;-4.2948,3.1089,.2209;-2.1144,3.7097,-1.0179;-2.1091,2.1874,-1.8912;-.72,2.6431,-.8975;-.9194,2.8987,1.5972;-2.424,2.4751,2.4256;-2.3675,3.8648,1.3492;3.6038,.3808,1.6481;1.4955,1.0457,-2.0248;2.8958,-1.9468,1.6296;.8037,-1.2824,-2.0405;.8979,-3.5006,-1.1549;2.0412,-3.9109,.1236;-.1792,-.9396,2.6102; 0.000000 3.273375 0.000000 2.883391 5.103237 0.000000 3.928122 4.489939 2.293960 0.000000 4.431208 3.965053 3.504815 1.322986 0.000000 7.349611 6.659176 6.594758 5.347487 5.034388 0.000000 5.183110 5.985965 2.835477 1.505660 2.393954 5.523933 0.000000 6.047997 5.218934 5.757983 4.620093 4.256058 1.523724 5.191165 0.000000 7.511221 7.469451 6.357466 5.482487 5.525420 1.527696 5.371474 2.534308 0.000000 7.819567 6.904911 6.799209 5.136004 4.629261 1.533344 5.129775 2.492074 2.481897 0.000000 8.506968 7.538030 8.024039 6.820435 6.411663 1.533704 7.053440 2.492732 2.481176 2.503365 0.000000 5.544585 6.777278 2.984065 2.485262 3.456584 7.041348 1.529155 6.687802 6.796391 6.621405 8.573103 0.000000 5.502328 6.630252 3.009886 2.478137 3.425577 4.945356 1.528612 4.811225 4.409791 4.828187 6.458141 2.533331 0.000000 6.400783 6.550869 4.319128 2.476079 2.596578 5.333124 1.525674 5.270083 5.367403 4.534064 6.798550 2.470705 2.470084 0.000000 6.171507 4.583345 6.350203 5.003027 4.312833 2.530457 5.814790 1.399825 3.839820 3.042294 3.033392 7.275883 5.758264 5.769118 0.000000 4.981091 4.818069 4.754168 4.127028 4.109961 2.561762 4.799311 1.390747 2.871159 3.590698 3.597105 6.190163 4.279799 5.279615 2.381845 0.000000 4.112989 2.767460 5.177404 4.514229 4.118861 4.352321 5.736388 2.829035 5.153516 5.053261 5.059538 6.956790 5.784786 6.238109 2.413055 2.418875 0.000000 5.340348 3.384941 6.104340 4.957966 4.248943 3.815571 6.062035 2.429705 4.962638 4.326733 4.325369 7.399752 6.183482 6.224258 1.382684 2.761973 1.394097 0.000000 3.891570 3.686623 4.413019 4.068261 4.040025 3.839803 5.094474 2.424618 4.260560 4.732847 4.741809 6.333132 4.835571 5.774212 2.753731 1.390913 1.387688 2.385786 0.000000 2.675992 4.110760 1.223227 1.379971 2.385215 5.960037 2.507904 5.018065 5.991553 6.058804 7.376854 3.048224 3.046263 3.779595 5.420765 4.180256 4.315354 5.119720 3.774263 0.000000 3.529274 1.847024 5.387407 5.039023 4.683472 5.842382 6.434698 4.319542 6.600408 6.472467 6.522005 7.443170 6.667519 7.076030 3.785604 3.784817 1.493175 2.516567 2.501346 4.558474 0.000000 2.689789 1.759399 3.565770 2.738973 2.384316 5.894616 4.241319 4.605063 6.495964 5.995646 7.050706 5.031620 4.959497 4.908396 4.347071 4.093902 2.895471 3.556879 3.233401 2.453141 2.732605 0.000000 1.705459 2.760922 2.346490 2.383561 2.728044 6.204104 3.797357 4.986426 6.493871 6.429946 7.468739 4.390389 4.355500 4.841327 5.078120 4.151137 3.478823 4.424983 3.309877 1.455072 3.339960 1.352981 0.000000 3.968915 2.747181 3.967844 2.266471 1.288462 5.292150 3.602691 4.224428 6.004234 5.065013 6.507909 4.564287 4.504983 3.870659 3.934532 4.076526 3.342101 3.497274 3.651466 2.744836 3.657309 1.419288 2.353430 0.000000 8.553512 8.482990 7.224966 6.279370 6.304955 2.154834 5.971680 3.471842 1.091162 2.703854 2.696907 7.349656 4.971668 5.782459 4.665632 3.955317 6.192372 5.887248 5.346020 6.896248 7.654724 7.478106 7.489784 6.877337 0.000000 7.473745 7.633310 6.526209 5.987361 6.137439 2.187538 5.986933 2.819077 1.091420 3.456894 2.746521 7.362961 4.910501 6.198646 4.148407 2.826974 5.145639 5.129998 4.136920 6.269441 6.543550 6.778135 6.678345 6.500754 1.758444 0.000000 6.936310 7.208259 5.468981 4.661136 4.884582 2.187301 4.401405 2.824906 1.091867 2.740522 3.456361 5.776801 3.344899 4.511091 4.157928 2.832349 5.151032 5.137890 4.141150 5.189332 6.519094 6.029562 5.877937 5.529094 1.758191 1.766208 0.000000 7.240996 6.558475 5.967043 4.210180 3.775972 2.182040 4.084244 2.753365 2.750525 1.092589 3.467940 5.556704 3.891737 3.443752 3.372911 3.546141 5.003891 4.464089 4.600021 5.239952 6.340483 5.428820 5.767942 4.418671 3.085897 3.766537 2.556943 0.000000 8.029997 6.662965 7.285548 5.450070 4.693806 2.190894 5.627997 2.760968 3.454157 1.090884 2.764913 7.102804 5.574422 4.923109 2.771224 4.025817 4.985097 4.014009 4.968250 6.406040 6.334188 5.943703 6.594174 4.936409 3.703724 4.331472 3.766750 1.763726 0.000000 8.812110 7.992392 7.591066 5.957817 5.522877 2.169950 5.725715 3.448986 2.699593 1.092129 2.747018 7.156264 5.312396 4.990626 4.053402 4.501249 6.115009 5.376953 5.727374 6.933893 7.549579 7.041567 7.421078 6.068860 2.461197 3.713242 3.043342 1.764161 1.759880 0.000000 9.434884 8.552967 8.718646 7.477344 7.103395 2.169780 7.519257 3.449145 2.697023 2.748041 1.091993 9.014996 6.845410 7.136287 4.047238 4.505385 6.120073 5.376291 5.734054 8.125470 7.592527 7.971184 8.348843 7.332611 2.451484 3.050369 3.707765 3.754916 3.106910 2.539112 0.000000 8.722599 7.338337 8.473924 7.103800 6.505080 2.191564 7.471458 2.763659 3.453716 2.764003 1.090713 9.000280 7.073183 7.118241 2.763648 4.033979 4.994584 4.015292 4.979767 7.700847 6.389322 7.038132 7.641106 6.448899 3.697642 3.772005 4.331192 3.776861 2.577488 3.103061 1.759449 0.000000 8.472193 7.665759 8.182096 7.245537 6.944980 2.180424 7.560266 2.751056 2.748794 3.466257 1.091634 9.060734 6.849769 7.495776 3.355392 3.554335 5.011250 4.458102 4.612686 7.617345 6.424075 7.294829 7.627352 6.952856 3.075916 2.562865 3.768057 4.325405 3.775308 3.753623 1.763933 1.763401 0.000000 5.654797 6.614051 3.472953 2.711212 3.403341 7.601516 2.172454 7.157754 7.538706 7.067742 9.114303 1.090725 3.483023 2.743057 7.559536 6.741696 7.185788 7.573578 6.755141 3.320118 7.535460 4.933785 4.448581 4.408907 8.112666 8.151998 6.570994 5.997928 7.403784 7.648296 9.595314 9.430727 9.652630 0.000000 5.092476 6.837744 2.407286 2.828660 4.006568 7.494528 2.200608 7.034603 7.141155 7.271554 9.022451 1.085779 2.795422 3.448302 7.680192 6.334610 7.064967 7.695866 6.350120 2.877270 7.432306 5.130592 4.236527 4.959581 7.760003 7.566897 6.101811 6.248308 7.804291 7.847647 9.512945 9.503065 9.397518 1.767379 0.000000 6.586983 7.811878 3.907365 3.419151 4.294903 7.396000 2.141578 7.251326 7.021878 6.874746 8.916324 1.090087 2.788374 2.634812 7.929936 6.835714 7.834064 8.197808 7.143731 4.072089 8.423191 6.059646 5.447139 5.485688 7.430936 7.641604 5.975920 5.799003 7.426136 7.256871 9.237905 9.399880 9.450845 1.759377 1.754521 0.000000 6.538073 7.688217 3.905468 3.416449 4.283759 5.414354 2.142622 5.546693 4.708948 5.160749 6.883947 2.768621 1.090152 2.657365 6.555649 5.138555 6.801141 7.112189 5.832033 4.061203 7.736806 6.003322 5.413727 5.448472 5.051448 5.271136 3.630147 4.224459 5.980736 5.436871 7.112557 7.559692 7.328182 3.770910 3.112863 2.578680 0.000000 5.013321 6.649503 2.422713 2.801121 3.955113 5.461356 2.200762 5.172372 4.803031 5.599455 6.932894 2.815559 1.086392 3.450019 6.166557 4.365255 5.826241 6.448680 4.752497 2.848689 6.583751 5.023070 4.166532 4.872849 5.448478 5.080937 3.755124 4.749629 6.365549 6.128823 7.381472 7.599092 7.170692 3.814066 2.641625 3.176122 1.755019 0.000000 5.626188 6.386804 3.546771 2.720622 3.362031 3.863406 2.172372 3.813574 3.346258 3.849673 5.370161 3.483951 1.091539 2.720777 4.852901 3.396600 5.147921 5.425046 4.172983 3.351549 6.209908 4.838541 4.426650 4.323449 3.966795 3.895004 2.307106 3.004956 4.653620 4.368319 5.769213 6.008478 5.765489 4.320294 3.810514 3.774559 1.759735 1.767684 0.000000 6.579267 6.371042 4.765557 2.772015 2.562078 4.365243 2.191399 4.418423 4.546824 3.465533 5.788414 3.449259 2.720011 1.089287 4.907480 4.646697 5.717467 5.525613 5.297063 4.091357 6.716338 4.852460 4.974126 3.713963 4.941370 5.452563 3.818774 2.382123 3.843186 3.944435 6.111978 6.075271 6.542459 3.758570 4.336044 3.651356 2.987417 3.753738 2.515664 0.000000 6.599189 6.469834 4.752611 2.771425 2.582103 6.046470 2.191212 5.876570 6.271766 5.129483 7.460119 2.725352 3.448415 1.088860 6.149425 5.958936 6.559531 6.478570 6.298606 4.088473 7.255740 4.896241 4.989693 3.755023 6.698845 7.122745 5.483525 4.078329 5.314808 5.620463 7.832339 7.646526 8.204474 2.547088 3.766008 2.960161 3.671152 4.337774 3.738204 1.769029 0.000000 7.267933 7.622325 4.925827 3.402773 3.679460 5.815588 2.120390 5.980447 5.641899 4.959689 7.253271 2.659721 2.663702 1.090018 6.606884 6.002616 7.198982 7.177382 6.626855 4.599702 8.090502 5.958440 5.785626 4.957975 5.886023 6.499438 4.743041 3.892423 5.461215 5.202938 7.447855 7.659705 7.971366 3.067703 3.640797 2.357802 2.385632 3.657956 3.042076 1.758320 1.758673 0.000000 7.153604 5.281694 7.261469 5.705920 4.863164 2.724232 6.416421 2.154849 4.215707 2.895967 2.877399 7.890163 6.429031 6.127028 1.083277 3.371480 3.382637 2.124406 3.836744 6.285416 4.638996 5.125752 5.976208 4.518242 4.848547 4.649498 4.659784 3.439042 2.290369 3.787293 3.774329 2.268044 3.408723 8.117852 8.401916 8.477503 7.133516 6.958954 5.503883 5.177017 6.428397 6.919763 0.000000 5.210421 5.633646 4.558537 4.259662 4.533856 2.792648 4.668517 2.153132 2.486770 3.878142 3.887730 5.995831 3.830417 5.278388 3.375983 1.081459 3.381398 3.842871 2.126054 4.244829 4.625944 4.726276 4.497535 4.733864 3.554756 2.265059 2.266725 3.752188 4.548344 4.624163 4.630683 4.558634 3.767035 6.696105 6.053164 6.544369 4.598119 3.783454 2.954848 4.731261 6.100134 5.852697 4.286859 0.000000 5.851051 3.325715 6.869178 5.624936 4.752529 4.666353 6.795756 3.403818 5.927964 5.002669 5.005665 8.077901 7.079653 6.855636 2.136055 3.845575 2.149298 1.083755 3.372579 5.813120 2.729131 3.900055 4.969143 3.823767 6.794944 6.134537 6.139017 5.179538 4.481860 6.024247 6.027644 4.487972 5.180917 8.128142 8.414557 8.902245 8.006702 7.384863 6.366060 6.167281 6.963182 7.845652 2.432932 4.926552 0.000000 3.212391 3.864564 3.921796 4.162940 4.423313 4.700832 5.189194 3.396672 4.849947 5.624640 5.638051 6.254476 4.854811 6.117297 3.837477 2.140233 2.143154 3.373446 1.083848 3.524331 2.706353 3.367321 3.049632 4.083033 5.937830 4.594303 4.595319 5.391775 5.955493 6.578603 6.589075 5.971243 5.412955 6.721925 6.086196 7.098802 5.872166 4.532785 4.363201 5.803771 6.669475 6.931063 4.920558 2.428787 4.276418 0.000000 2.971443 2.432805 5.125449 5.255615 5.163711 6.341596 6.623095 4.836196 6.887830 7.102828 7.059888 7.522986 6.736116 7.465056 4.557866 4.017788 2.148638 3.411691 2.631118 4.508583 1.088655 3.110801 3.288959 4.259273 7.970847 6.699830 6.743153 6.925203 7.098558 8.158199 8.119782 7.057381 6.845516 7.684399 7.355408 8.517204 7.815417 6.475879 6.358311 7.199122 7.717653 8.436875 5.499369 4.667208 3.762855 2.390289 0.000000 4.466986 2.358173 6.472074 6.051410 5.572472 6.370561 7.449212 4.872292 7.257789 7.021925 6.835711 8.479097 7.696951 7.994225 4.114935 4.527878 2.157890 2.763297 3.336408 5.628536 1.090695 3.643115 4.375538 4.464037 8.282432 7.168308 7.303686 7.016751 6.761009 8.086740 7.923377 6.564646 6.687829 8.526912 8.498871 9.456887 8.754757 7.646791 7.184806 7.570175 8.125077 9.022143 4.815038 5.429740 2.618457 3.622673 1.763495 0.000000 4.859301 2.891471 5.047068 3.223181 2.014795 5.379284 4.405741 4.361225 6.319202 5.005061 6.443384 5.398078 5.330161 4.349304 3.761619 4.519766 3.552426 3.320719 4.156890 3.824530 3.873935 2.176726 3.343513 1.081138 7.133931 6.880188 5.983356 4.486464 4.646606 6.002135 7.261749 6.210463 6.967356 5.150963 5.904893 6.248043 6.206775 5.810761 5.042981 4.038190 4.090623 5.427762 4.120710 5.313168 3.381032 4.765713 4.679073 4.465568 0.000000 C19H25ClN2OS 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 0 339.7340999999997 AuxInfo=1/0/N:6;7;8;9;10;11;12;13;14;15;16;17;18;19;20;21;22;23;24;1;4;5;3;2;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/rA:49nCl0S0O0N0N0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:-3.3441,-1.1171,-1.377;-2.0294,-2.7284,1.151;-2.4926,1.6366,-1.452;-1.252,1.6422,.4776;-.7869,1.0162,1.5462;3.8175,.1189,-.2812;-.8108,3.0733,.3221;2.5973,-.7936,-.2938;3.8399,1.0736,-1.4737;3.8102,.9534,1.0051;5.0892,-.7372,-.3263;-2.0294,3.997,.314;.0207,3.2157,-.9526;.0698,3.467,1.5042;2.4257,-1.7408,.7225;1.6218,-.7395,-1.2835;.3532,-2.5154,-.2406;1.3289,-2.5821,.753;.5174,-1.5847,-1.2567;-2.0664,1.0506,-.4665;-.8877,-3.3425,-.1646;-1.8558,-1.0018,.8606;-2.3685,-.349,-.2079;-1.0595,-.2275,1.7441;4.7321,1.6999,-1.4246;3.867,.5426,-2.4268;2.9753,1.7404,-1.4836;2.9162,1.5783,1.0675;3.843,.3294,1.8994;4.6797,1.6136,1.0345;5.9759,-.0999,-.3185;5.1626,-1.4097,.5292;5.1238,-1.3449,-1.2325;-2.6297,3.8581,1.214;-2.6693,3.8627,-.5529;-1.6812,5.03,.3071;.3852,4.241,-1.0183;-.5387,3.0095,-1.8608;.8916,2.5583,-.9252;.9797,2.8717,1.5694;-.4527,3.4088,2.4577;.3658,4.505,1.3526;3.1614,-1.8228,1.5134;1.7008,-.0309,-2.0967;1.222,-3.2909,1.5659;-.2258,-1.5089,-2.0419;-1.4163,-3.3633,-1.1161;-.6819,-4.3723,.1299;-.6344,-.674,2.6323; 0.2539398 0.1964450 0.1357177 -101.57245 -88.85853 -19.10544 -14.41320 -14.36854 -10.29756 -10.25942 -10.23599 -10.22943 -10.22313 -10.20552 -10.18173 -10.18136 -10.17715 -10.17067 -10.17064 -10.16784 -10.16721 -10.15355 -10.15340 -10.15332 -10.14827 -10.14810 -10.14648 -9.48797 -7.94538 -7.25249 -7.24313 -7.24191 -5.90948 -5.90571 -5.89866 -1.08937 -1.03978 -0.91767 -0.88052 -0.87201 -0.83638 -0.81692 -0.80601 -0.78277 -0.74926 -0.73726 -0.69755 -0.69240 -0.68576 -0.68133 -0.68061 -0.66415 -0.63482 -0.60668 -0.59628 -0.58607 -0.56810 -0.54870 -0.51371 -0.50038 -0.49602 -0.48111 -0.47291 -0.46579 -0.45520 -0.44627 -0.44583 -0.44156 -0.43753 -0.43101 -0.42734 -0.42480 -0.42255 -0.41279 -0.39702 -0.39428 -0.39049 -0.38633 -0.38448 -0.37997 -0.37421 -0.36873 -0.36394 -0.35940 -0.35580 -0.35067 -0.34822 -0.34379 -0.34115 -0.33085 -0.32629 -0.32127 -0.32041 -0.31398 -0.29831 -0.27283 -0.26265 -0.25214 -0.24668 -0.23796 -0.07939 -0.02503 -0.02214 -0.01077 -0.00374 0.00286 0.01348 0.01706 0.02157 0.02367 0.02934 0.03383 0.03500 0.04153 0.04363 0.04876 0.05376 0.05443 0.05577 0.05742 0.05842 0.06464 0.07093 0.07444 0.07692 0.07910 0.07957 0.08298 0.08633 0.08830 0.09127 0.09471 0.09661 0.10175 0.10200 0.10988 0.11062 0.11132 0.11577 0.11876 0.12080 0.12362 0.12706 0.13136 0.13240 0.13575 0.13809 0.14173 0.14238 0.14385 0.14935 0.15309 0.15628 0.15958 0.16217 0.16534 0.16731 0.16894 0.17070 0.17279 0.17397 0.17555 0.18006 0.18081 0.18741 0.18989 0.19259 0.19407 0.19945 0.20032 0.20215 0.20451 0.20706 0.20814 0.21325 0.21447 0.21669 0.21782 0.22186 0.22373 0.22629 0.22872 0.23057 0.23283 0.23470 0.23510 0.23943 0.24167 0.24304 0.24659 0.25250 0.25333 0.25647 0.25871 0.26051 0.26194 0.26386 0.26531 0.26847 0.27002 0.27353 0.27426 0.27827 0.28056 0.28252 0.28393 0.28482 0.28841 0.28978 0.29638 0.30124 0.30363 0.30619 0.30691 0.30899 0.31275 0.31651 0.31721 0.32250 0.32926 0.33082 0.33324 0.33738 0.33936 0.34234 0.34830 0.35154 0.35602 0.35664 0.36440 0.36583 0.37245 0.37271 0.37707 0.38227 0.38576 0.39201 0.39305 0.39771 0.40263 0.40644 0.40946 0.41207 0.42334 0.42874 0.43769 0.44382 0.44968 0.46236 0.47052 0.47603 0.47964 0.48746 0.49386 0.49455 0.50247 0.51147 0.51869 0.52851 0.53332 0.53599 0.53975 0.54484 0.55204 0.55883 0.56232 0.56691 0.57102 0.57663 0.58018 0.58135 0.58327 0.59499 0.59613 0.59633 0.60466 0.60645 0.61707 0.62008 0.62320 0.63532 0.63995 0.64024 0.64688 0.65605 0.65812 0.65963 0.66545 0.67358 0.67500 0.67675 0.67947 0.68451 0.69039 0.69199 0.69852 0.69987 0.70749 0.70978 0.71768 0.72253 0.72424 0.72710 0.73320 0.73842 0.73975 0.74320 0.74737 0.75037 0.75436 0.76407 0.76836 0.77146 0.77310 0.77786 0.78075 0.78142 0.79366 0.79554 0.80149 0.80444 0.80931 0.81527 0.81797 0.82255 0.83385 0.84155 0.84652 0.84955 0.85457 0.86203 0.86858 0.87519 0.88295 0.88531 0.88976 0.89622 0.90964 0.91388 0.91757 0.92239 0.92912 0.93532 0.94064 0.94793 0.95426 0.95879 0.96361 0.97027 0.98243 0.98850 0.99997 1.00306 1.01558 1.02388 1.03069 1.03450 1.04027 1.05616 1.05949 1.07341 1.07631 1.08836 1.09147 1.09509 1.10299 1.11214 1.12037 1.12734 1.13899 1.14900 1.15577 1.16851 1.17269 1.18392 1.19217 1.19450 1.20455 1.20812 1.21813 1.23260 1.23896 1.25363 1.25926 1.26978 1.27096 1.28784 1.29834 1.30590 1.31699 1.32530 1.34998 1.35945 1.37715 1.37799 1.39724 1.41017 1.42122 1.43298 1.45447 1.45959 1.46693 1.46998 1.47923 1.48184 1.48787 1.49044 1.49915 1.50671 1.51256 1.51902 1.53308 1.53408 1.53745 1.54019 1.55177 1.55503 1.56259 1.56405 1.56649 1.57834 1.58776 1.59135 1.59431 1.60433 1.60713 1.61428 1.62771 1.63467 1.64586 1.64949 1.65436 1.66533 1.66988 1.67596 1.67785 1.68731 1.69023 1.69886 1.70063 1.70737 1.70863 1.72364 1.72615 1.72794 1.73616 1.73913 1.74806 1.76051 1.76440 1.76960 1.77722 1.78162 1.79310 1.79892 1.80400 1.80634 1.81000 1.82034 1.82630 1.82769 1.83670 1.84266 1.85982 1.86372 1.87579 1.87754 1.88159 1.89540 1.91458 1.92634 1.92840 1.93689 1.94588 1.95779 1.96282 1.96792 1.97798 1.98752 1.99561 2.01152 2.01354 2.02130 2.03056 2.03647 2.04421 2.05644 2.06516 2.07168 2.07851 2.08370 2.09251 2.10026 2.11484 2.11517 2.13112 2.14140 2.14815 2.16163 2.16683 2.17970 2.18918 2.20712 2.21593 2.22629 2.23441 2.24114 2.24472 2.25745 2.27061 2.28062 2.28360 2.30680 2.32402 2.33515 2.35141 2.35826 2.36036 2.38694 2.40682 2.40930 2.44305 2.44656 2.44930 2.45801 2.46566 2.47183 2.47259 2.49013 2.49855 2.51232 2.51582 2.52518 2.53433 2.54438 2.54526 2.55367 2.55635 2.55995 2.56579 2.56851 2.57114 2.57489 2.58362 2.58903 2.60413 2.61068 2.61722 2.61927 2.63219 2.63541 2.64731 2.65317 2.66720 2.67842 2.68867 2.69437 2.70252 2.70709 2.72412 2.72686 2.73639 2.74195 2.76594 2.76953 2.77547 2.79064 2.79569 2.79866 2.80858 2.81655 2.82666 2.82702 2.83319 2.84559 2.85363 2.86065 2.88116 2.89292 2.89366 2.90855 2.91787 2.92985 2.93360 2.94900 2.95548 2.96472 2.97536 2.98610 2.99378 3.00213 3.01343 3.02874 3.04839 3.07508 3.07855 3.08801 3.10718 3.11925 3.14451 3.14934 3.18174 3.20378 3.21176 3.22723 3.22998 3.23796 3.25152 3.28163 3.29229 3.31296 3.32327 3.33670 3.35861 3.39237 3.44496 3.45144 3.49939 3.51612 3.56158 3.59017 3.60043 3.66107 3.68114 3.73918 3.76619 3.78799 3.79249 3.79792 3.79986 3.80798 3.82703 3.83576 3.83929 3.84284 3.84776 3.85267 3.87223 3.87323 3.87688 3.88773 3.91963 3.93451 4.02623 4.05114 4.06708 4.17883 4.19048 4.22312 4.27807 4.30117 4.31954 4.32743 4.32898 4.37185 4.47943 4.63411 4.87388 4.93479 5.12737 5.27618 5.55963 5.83367 8.01305 9.83934 17.41632 17.48887 17.56795 23.62495 23.66718 23.79613 23.85494 23.88550 23.91307 23.98890 23.99527 24.00017 24.00480 24.01583 24.02269 24.03056 24.04130 24.05123 24.09823 24.11809 24.13993 24.22146 26.00163 26.27636 26.86481 35.53723 35.63361 50.05563 189.19728 215.84172 1-A. 4.9798 -0.2860 2.7536 5.6976 -169.9690 -147.5387 -163.8046 5.0699 -5.7917 4.1598 -9.5316 12.8988 -3.3672 5.0699 -5.7917 4.1598 45.6488 19.3566 1.6874 -4.3558 7.1031 26.4775 8.0407 -12.9674 9.0472 -33.3634 -6063.4165 -4145.4976 -1324.6143 58.8364 -1.9521 34.2547 22.8801 16.5714 11.9447 -1829.1306 -1250.0332 -999.5351 43.3367 28.9736 13.9205 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 339.7340999999997 AuxInfo=1/0/N:6;7;8;9;10;11;12;13;14;15;16;17;18;19;20;21;22;23;24;1;4;5;3;2;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/rA:49nCl0S0O0N0N0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:-1.7901,-2.7244,-1.6957;-.071,-3.4585,1.0709;-2.7261,.0522,-1.642;-1.96,.6111,.4641;-1.3661,.279,1.6168;2.983,2.3897,-.1721;-2.387,2.0735,.3379;2.5827,.9081,-.2241;2.5663,3.1536,-1.44;2.2969,3.0506,1.0445;4.5155,2.5087,-.0205;-3.9071,2.1412,.1296;-1.6073,2.7041,-.8263;-2.0356,2.8217,1.6275;2.9473,.0471,.8274;1.8429,.356,-1.2739;1.8305,-1.8335,-.2189;2.5803,-1.2921,.8334;1.4723,-.9907,-1.2713;-2.1533,-.276,-.5976;1.3326,-3.2454,-.1704;-.9486,-1.9357,.7754;-1.6054,-1.6105,-.3764;-.8891,-.9218,1.7726;2.8817,4.1971,-1.3542;3.0353,2.7351,-2.3352;1.483,3.1456,-1.5844;1.2088,2.9845,.9596;2.5947,2.5727,1.9812;2.5715,4.1086,1.1025;4.8067,3.5631,.0114;4.872,2.0365,.8979;5.0272,2.0394,-.8661;-4.4266,1.6576,.961;-4.2195,1.6752,-.802;-4.2058,3.1918,.1062;-1.8429,3.7699,-.8671;-1.8633,2.2588,-1.7854;-.533,2.5969,-.6616;-.9643,2.8125,1.8289;-2.5598,2.4146,2.4927;-2.3503,3.8589,1.4922;3.5205,.4313,1.663;1.5312,.9693,-2.1089;2.8603,-1.9232,1.6706;.8869,-1.3809,-2.0968;.9833,-3.5891,-1.1421;2.0836,-3.941,.2073;-.4039,-1.1173,2.7201; 0.000000 3.338854 0.000000 2.930614 5.170514 0.000000 3.977306 4.527429 2.309786 0.000000 4.491434 3.993011 3.538527 1.338544 0.000000 7.159497 6.713685 6.341872 5.291675 5.154573 0.000000 5.245138 6.041848 2.849670 1.528720 2.428612 5.403465 0.000000 5.872109 5.271249 5.561145 4.604083 4.401936 1.535637 5.135331 0.000000 7.320848 7.548521 6.137559 5.529727 5.750753 1.537852 5.372440 2.553651 0.000000 7.587017 6.926467 6.437300 4.940603 4.628895 1.545127 4.836676 2.506221 2.501198 0.000000 8.363727 7.604872 7.816955 6.765171 6.499574 1.544520 6.925478 2.517763 2.496088 2.519847 0.000000 5.611327 6.852567 2.982787 2.498874 3.483730 6.901216 1.535790 6.615331 6.737502 6.336743 8.431938 0.000000 5.500672 6.628440 2.991595 2.483991 3.450759 4.647327 1.536528 4.598211 4.242349 4.343120 6.178638 2.553395 0.000000 6.470139 6.603791 4.340090 2.499190 2.629375 5.348938 1.531764 5.330863 5.540477 4.377542 6.762377 2.491864 2.493610 0.000000 6.040729 4.632391 6.187575 4.952964 4.391165 2.547130 5.727223 1.407075 3.864797 3.080737 3.039269 7.201063 5.526145 5.759147 0.000000 4.781800 4.869480 4.593887 4.189020 4.319695 2.578743 4.841464 1.397930 2.894373 3.583548 3.653473 6.182158 4.197281 5.435074 2.393896 0.000000 4.010452 2.814229 5.132708 4.561890 4.248645 4.377932 5.776053 2.842938 5.186942 5.066384 5.109120 6.988594 5.725149 6.326699 2.424606 2.430551 0.000000 5.248608 3.432073 6.007724 4.936863 4.319252 3.837814 6.020542 2.441129 4.993291 4.357038 4.349697 7.373536 6.021576 6.233796 1.388621 2.775038 1.400878 0.000000 3.718804 3.736042 4.341915 4.166331 4.243816 3.862321 5.183948 2.436142 4.289561 4.730177 4.803206 6.380395 4.830429 5.936540 2.767144 1.396754 1.395132 2.397514 0.000000 2.707863 4.153056 1.235598 1.396926 2.414796 5.802447 2.539628 4.895959 5.894586 5.793667 7.249788 3.073643 3.038250 3.815778 5.305742 4.101965 4.294205 5.048429 3.756294 0.000000 3.514182 1.885869 5.432616 5.110412 4.785246 5.871796 6.510352 4.337831 6.639355 6.484204 6.577390 7.520632 6.668511 7.168451 3.800432 3.801094 1.497842 2.525754 2.513014 4.599069 0.000000 2.726935 1.782246 3.599292 2.757850 2.405677 5.921544 4.281820 4.642850 6.569924 5.955595 7.088176 5.078431 4.952414 4.953827 4.371813 4.152620 2.953431 3.587597 3.308034 2.467956 2.795345 0.000000 1.736481 2.804255 2.371172 2.401596 2.756905 6.090743 3.833157 4.889410 6.421166 6.242826 7.386438 4.430470 4.337966 4.883139 4.992399 4.069832 3.446767 4.368615 3.264588 1.459490 3.368568 1.365143 0.000000 4.011205 2.756122 3.997841 2.282239 1.301465 5.453549 3.643362 4.403219 6.234574 5.144025 6.647757 4.603235 4.518505 3.917854 4.068218 4.286942 3.491916 3.613287 3.853096 2.762758 3.756344 1.423333 2.367569 0.000000 8.357618 8.556172 6.979329 6.293507 6.497849 2.162070 5.927258 3.490601 1.093494 2.722189 2.701682 7.246831 4.760120 5.912837 4.688948 3.979888 6.225983 5.916755 5.376458 6.777304 7.693620 7.537772 7.403968 7.085153 0.000000 7.314365 7.720842 6.393194 6.107457 6.404917 2.191181 6.081519 2.828366 1.093826 3.473762 2.756863 7.390892 4.881740 6.436149 4.151498 2.864987 5.177153 5.144442 4.178055 6.245581 6.584197 6.882142 6.652634 6.756331 1.767315 0.000000 6.721739 7.285499 5.223880 4.740688 5.155737 2.194542 4.452118 2.840024 1.092916 2.753612 3.470939 5.744533 3.212369 4.775031 4.190584 2.829703 5.174614 5.171281 4.148050 5.089483 6.547191 6.107380 5.798050 5.782675 1.764979 1.772544 0.000000 6.973903 6.569798 5.554318 3.989979 3.792282 2.186833 3.761168 2.756801 2.762180 1.093438 3.481513 5.250974 3.346386 3.316399 3.415856 3.507063 4.998873 4.492896 4.565990 4.935468 6.332726 5.375562 5.551450 4.507930 3.102069 3.775454 2.563763 0.000000 7.797792 6.656594 6.913177 5.186016 4.591436 2.195673 5.269450 2.763082 3.470354 1.092937 2.774944 6.774074 5.055272 4.650412 2.799012 4.009376 4.983932 4.031717 4.953436 6.108047 6.330292 5.859608 6.379535 4.938838 3.721077 4.341918 3.778561 1.770291 0.000000 8.575701 8.015247 7.214657 5.759728 5.516731 2.179037 5.414151 3.464513 2.715931 1.094563 2.756735 6.840293 4.811952 4.812143 4.088061 4.501073 6.132174 5.407373 5.731070 6.666158 7.565407 7.002242 7.234730 6.142445 2.477792 3.730836 3.054731 1.772259 1.769621 0.000000 9.271684 8.614940 8.473680 7.396435 7.173923 2.176268 7.353544 3.471413 2.700638 2.762013 1.094356 8.829823 6.525194 7.069479 4.060191 4.552063 6.167178 5.404207 5.787903 7.971817 7.645735 7.996493 8.248099 7.460438 2.443839 3.054452 3.710461 3.765436 3.123162 2.546363 0.000000 8.589349 7.393136 8.253529 6.992600 6.520665 2.199528 7.280700 2.788087 3.468484 2.771434 1.092476 8.813307 6.737930 6.990240 2.768941 4.088600 5.047280 4.041753 5.042540 7.545767 6.447226 7.047926 7.541977 6.535064 3.701616 3.783489 4.344802 3.784384 2.578244 3.102839 1.766581 0.000000 8.358066 7.744013 8.041469 7.254679 7.080760 2.187020 7.511415 2.769049 2.761722 3.482396 1.094163 8.990200 6.667809 7.530765 3.341030 3.624881 5.063266 4.469213 4.688521 7.549294 6.485514 7.362453 7.586337 7.122738 3.081815 2.571024 3.781681 4.336639 3.782691 3.766592 1.772107 1.770806 0.000000 5.762902 6.719940 3.499217 2.725113 3.420163 7.531418 2.172805 7.148131 7.543450 6.866820 9.035937 1.093121 3.498286 2.741579 7.548929 6.781996 7.261689 7.603527 6.840622 3.366888 7.647765 5.004262 4.519793 4.452656 8.075915 8.228367 6.604242 5.789501 7.153777 7.416233 9.475532 9.306538 9.636292 0.000000 5.104615 6.860933 2.360051 2.800153 3.992770 7.265229 2.194529 6.869612 6.974217 6.911222 8.809375 1.087469 2.807627 3.462118 7.527873 6.222162 7.018144 7.597133 6.302704 2.849245 7.445627 5.121071 4.220274 4.946181 7.555902 7.490402 5.940721 5.855241 7.415177 7.460951 9.257271 9.256121 9.254078 1.775232 0.000000 6.639542 7.890065 3.886201 3.439743 4.339390 7.238754 2.147594 7.169873 6.946455 6.571575 8.748876 1.092514 2.803495 2.676007 7.847039 6.821477 7.861099 8.166080 7.185507 4.090658 8.496344 6.111306 5.482439 5.540689 7.305858 7.655208 5.934821 5.485340 7.081326 6.911187 9.020576 9.185194 9.355278 1.770087 1.767779 0.000000 6.547176 7.690597 3.898976 3.429905 4.310873 5.067342 2.150786 5.309358 4.488817 4.616290 6.537349 2.811950 1.092368 2.675625 6.298977 5.040377 6.731526 6.934014 5.815294 4.066713 7.732017 6.004293 5.407987 5.467193 4.768846 5.198412 3.459208 3.642368 5.407279 4.845735 6.710559 7.156161 7.084753 3.805134 3.168597 2.620013 0.000000 4.984495 6.637581 2.373584 2.790093 3.967581 5.109521 2.194750 4.901907 4.532300 5.093433 6.623194 2.803224 1.088009 3.463252 5.904264 4.197374 5.731107 6.261966 4.685051 2.814212 6.566422 4.998759 4.125903 4.870768 5.143775 4.952364 3.467662 4.183266 5.844652 5.606188 7.029830 7.253590 6.955057 3.804521 2.618971 3.152089 1.768425 0.000000 5.564677 6.315255 3.499488 2.692032 3.355243 3.556001 2.170311 3.570826 3.243719 3.335449 5.089809 3.495453 1.092074 2.747357 4.564117 3.322840 5.040944 5.201136 4.154965 3.298874 6.152559 4.773039 4.351270 4.293408 3.834153 3.943734 2.284034 2.410907 4.094833 3.877522 5.467966 5.653368 5.591844 4.321458 3.802530 3.799017 1.770346 1.773974 0.000000 6.615245 6.379454 4.771822 2.774909 2.573847 4.445699 2.189352 4.519133 4.823674 3.362727 5.791436 3.463854 2.734081 1.090056 4.894010 4.852034 5.795701 5.513889 5.478378 4.103632 6.780179 4.863666 4.983681 3.735480 5.180889 5.774346 4.213176 2.346880 3.570324 3.835327 6.096830 5.960854 6.615064 3.751559 4.337185 3.690345 2.992848 3.765376 2.536767 0.000000 6.674126 6.535150 4.764912 2.779837 2.598593 6.150147 2.188489 6.007920 6.503039 5.107799 7.508932 2.733947 3.465098 1.090535 6.221446 6.148879 6.683864 6.550812 6.482403 4.117539 7.367366 4.946701 5.034274 3.800174 6.898273 7.397074 5.788005 4.108224 5.182179 5.579647 7.857525 7.610371 8.305685 2.530645 3.762530 3.001506 3.693139 4.337241 3.753769 1.773247 0.000000 7.335945 7.675733 4.945232 3.428945 3.714816 5.776913 2.126359 5.998918 5.767881 4.738228 7.158927 2.689028 2.694632 1.092309 6.560240 6.124086 7.267135 7.160854 6.765202 4.637137 8.173078 6.004662 5.827608 5.006921 5.965763 6.701999 4.966716 3.703459 5.132873 4.943533 7.314550 7.472371 7.956121 3.072252 3.677719 2.410130 2.414853 3.679692 3.087723 1.769006 1.769494 0.000000 7.031514 5.327320 7.077268 5.612995 4.889164 2.737118 6.273098 2.160602 4.236812 2.956408 2.852988 7.774620 6.136473 6.048583 1.083738 3.383189 3.395164 2.131325 3.850648 6.148363 4.654708 5.134581 5.882450 4.613851 4.867586 4.639927 4.697257 3.515329 2.354590 3.838886 3.767010 2.233511 3.354425 8.071756 8.217752 8.351026 6.805476 6.649591 5.150224 5.080479 6.449153 6.800314 0.000000 4.984473 5.681800 4.379965 4.351702 4.769850 2.806559 4.749596 2.159088 2.508039 3.855123 3.954391 5.996634 3.808510 5.487602 3.387808 1.081794 3.393719 3.856292 2.132187 4.172532 4.643289 4.786146 4.415314 4.949718 3.579452 2.330622 2.239131 3.685200 4.520084 4.609803 4.685305 4.619623 3.861559 6.737476 5.939436 6.539060 4.557493 3.645607 3.000816 5.013130 6.324552 6.031921 4.298145 0.000000 5.796558 3.362955 6.788510 5.577937 4.766005 4.691660 6.729346 3.418076 5.961260 5.044593 5.024023 8.043114 6.899650 6.818035 2.144942 3.860105 2.153731 1.085207 3.383927 5.744027 2.733349 3.912743 4.922434 3.882151 6.827038 6.146301 6.179318 5.226696 4.514466 6.065338 6.053176 4.508129 5.179941 8.150134 8.317806 8.862285 7.808456 7.193426 6.114325 6.089287 6.990656 7.785572 2.445332 4.941375 0.000000 3.021968 3.907470 3.913426 4.316431 4.650012 4.724011 5.345992 3.409163 4.879952 5.611988 5.710253 6.351760 4.952011 6.330359 3.851709 2.146652 2.149899 3.385480 1.084676 3.565310 2.717716 3.453482 3.037142 4.282205 5.970371 4.649112 4.594225 5.338755 5.931156 6.573279 6.652256 6.043891 5.509549 6.842262 6.090314 7.190176 5.957821 4.572542 4.460845 6.035168 6.881100 7.128576 4.935260 2.436926 4.287419 0.000000 2.957329 2.454742 5.221935 5.374389 5.300297 6.378565 6.753816 4.860603 6.932457 7.112807 7.135641 7.639947 6.812806 7.608022 4.578021 4.039848 2.156882 3.424758 2.647208 4.594682 1.088277 3.184730 3.346965 4.372086 8.017117 6.754996 6.767615 6.905056 7.093639 8.174004 8.191624 7.136618 6.936054 7.824162 7.409267 8.629298 7.887844 6.535614 6.387195 7.321191 7.861854 8.574655 5.519956 4.691842 3.769565 2.407659 0.000000 4.484056 2.370812 6.519090 6.094038 5.629817 6.405502 7.495123 4.893737 7.299314 7.044721 6.896668 8.537359 7.671172 8.044734 4.127393 4.551517 2.164923 2.766790 3.356223 5.659570 1.091051 3.679392 4.402278 4.516834 8.324900 7.206960 7.334126 7.020895 6.770242 8.113831 7.985285 6.631933 6.751386 8.619413 8.502274 9.510115 8.719489 7.614812 7.095419 7.584722 8.196115 9.063557 4.827083 5.457108 2.610726 3.646218 1.776326 0.000000 4.899327 2.883000 5.078260 3.240115 2.023089 5.668780 4.448517 4.657257 6.661067 5.241533 6.697655 5.440714 5.350529 4.401419 4.021062 4.813643 3.760736 3.534907 4.412218 3.843864 3.987362 2.179102 3.357851 1.082357 7.459133 7.226724 6.345149 4.746062 4.811837 6.227330 7.509559 6.411079 7.233372 5.193960 5.895993 6.313149 6.230913 5.816151 5.024750 4.068381 4.144149 5.482657 4.349307 5.605132 3.522167 4.993852 4.790628 4.524842 0.000000 C19H25ClN2OS 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 0 339.7340999999997 AuxInfo=1/0/N:6;7;8;9;10;11;12;13;14;15;16;17;18;19;20;21;22;23;24;1;4;5;3;2;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/rA:49nCl0S0O0N0N0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:-3.2571,-.8624,-1.5615;-2.3649,-2.5231,1.1943;-2.1148,1.8364,-1.5746;-1.1005,1.7683,.4995;-.8376,1.1379,1.6507;3.7544,-.1875,-.2798;-.4547,3.1444,.337;2.471,-1.0308,-.2798;3.9064,.6472,-1.5624;3.7202,.775,.9285;4.9845,-1.1136,-.1597;-1.5538,4.2014,.1544;.5074,3.0865,-.8597;.3475,3.4845,1.5968;2.2084,-1.9058,.7903;1.5164,-.964,-1.2989;.0912,-2.5827,-.1782;1.0463,-2.6641,.8434;.3467,-1.7256,-1.2489;-1.8687,1.2218,-.5313;-1.2155,-3.3081,-.0782;-2.0218,-.8047,.869;-2.3362,-.1378,-.2799;-1.2717,-.0752,1.8339;4.837,1.2195,-1.5139;3.9497,.0135,-2.453;3.086,1.3584,-1.6868;2.8596,1.4466,.8655;3.6576,.2298,1.8737;4.6288,1.3849,.9496;5.9024,-.5177,-.165;4.9691,-1.6938,.7659;5.0277,-1.8132,-.9999;-2.235,4.193,1.0093;-2.1276,4.0502,-.7569;-1.0815,5.1853,.1047;1.0363,4.0398,-.9283;-.0116,2.9131,-1.8001;1.2454,2.2953,-.7114;1.1494,2.7689,1.7789;-.2854,3.5368,2.4833;.7951,4.4678,1.436;2.9198,-1.9899,1.6035;1.6618,-.3072,-2.1462;.8655,-3.3132,1.6941;-.3777,-1.6378,-2.0515;-1.7373,-3.3436,-1.0325;-1.1022,-4.3227,.3067;-1.0065,-.5335,2.7779; 0.2470728 0.1991458 0.1382076 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= 709 709 709 709 709 MxSgAt= 49 MxSgA2= 49. 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= 694 RedAO= T EigKep= 1.23D-06 NBF= 694 NBsUse= 692 1.00D-06 EigRej= 6.18D-07 NBFU= 692 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= 709 709 709 709 709 MxSgAt= 49 MxSgA2= 49. 1 1.95921062e+00 -1.12520969e-01 1.08334398e+00 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 17 16 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 1 1 -0.002986652 -0.010357705 -0.011238617 -0.000139438 -0.011087523 0.010117383 -0.011150298 0.007564970 -0.014539644 -0.002948152 0.003897013 -0.002673266 0.003354567 0.010265185 0.011755611 -0.000275388 0.000336994 -0.000736771 -0.001857928 0.006821885 0.000355199 0.000095021 0.000385070 -0.000213421 -0.002039569 0.003546733 -0.003854307 -0.002270092 0.002875344 0.005141663 0.005689085 0.000787921 0.000527480 -0.005538423 0.000013075 -0.000742073 0.002952822 0.002124438 -0.005098229 0.001539674 0.004382209 0.004119018 0.002932972 0.000844283 0.004335861 -0.002230600 0.002357382 -0.004540420 0.001185464 -0.002713701 -0.000906153 0.002368750 -0.002234342 0.003395035 -0.002190825 -0.000842393 -0.004684071 0.005386972 -0.008976969 0.004085154 0.005553786 -0.002786013 -0.006123559 -0.000445370 0.001738642 0.005538925 -0.001588068 0.006038067 0.000599182 0.004270010 -0.009404106 0.003823930 0.000751027 0.001571058 0.000497984 0.000876118 -0.001029908 -0.001038333 -0.001045385 -0.000343945 0.000354970 -0.001270700 -0.000597303 -0.000659355 0.000690405 -0.001084271 0.000785427 0.000755862 0.001685240 -0.000341566 0.000150106 0.001917522 0.000048759 0.000064809 -0.000833060 0.001252151 0.000102833 -0.000950311 -0.001666759 0.000191146 -0.001268519 0.001641278 0.001035547 -0.001789315 -0.001667891 0.000060915 0.001753144 0.000071293 -0.000773878 0.001543464 0.000506307 -0.000998449 -0.002326369 -0.000337160 0.000935219 -0.001144025 0.000882659 0.000965535 -0.001083291 -0.000504755 -0.000566711 -0.001550836 0.000556738 -0.000715024 0.001490015 -0.000618607 0.000241741 0.000234530 0.000309941 -0.000283349 0.000145301 0.000016368 -0.000014563 -0.001014894 0.000611474 -0.000801992 -0.000442888 -0.000440285 -0.000974804 0.000179506 -0.000454036 0.000205782 -0.000342666 0.001263419 0.000749489 -0.000294636 0.000486070 0.014539644 0.003683412 (Enter /usr/local/gaussian/gaussian16/g16/l716.exe) Closed 1 1 1 -1782.55313383164 -1782.55319840255 -0.000064570913 -1782.55319793133 0.000000471225 -1782.55319917598 -0.000001244654 -1782.55319922991 -0.000000053931 -1782.55319923943 -0.000000009515 -1782.55319924110 -0.000000001676 -1782.55319924136 -0.000000000260 -1782.55319924117 0.000000000192 -1782.55319924155 -0.000000000377 -1782.55319924108 0.000000000470 -1782.55319924 11 1.776683963707e+03 -9.281372251698e+03 3.175203624692e+03 Using DIIS extrapolation, IDIIS= 1040. NGot= 11324620800 LenX= 11323575936 LenY= 11323059694 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) PT155103.200S Fri Sep 6 02:00:08 2024 Mulliken charges: 1 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 Cl S 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 H H 0.084487 -0.035067 -0.366173 0.437319 0.100344 0.525069 -0.157743 0.680278 -0.680092 -0.625934 -0.634707 -0.478072 -0.424803 -0.521572 -0.419257 -0.482229 0.877380 -0.697183 -0.304044 -1.311759 -0.871169 1.407350 0.686065 -1.057540 0.159492 0.154703 0.149943 0.148393 0.155240 0.153835 0.152352 0.154522 0.152760 0.165615 0.176364 0.170896 0.170619 0.174711 0.165933 0.167332 0.169356 0.176421 0.158378 0.158244 0.156207 0.157097 0.247585 0.255042 0.218009 -0.00000 -101.57336 -88.86228 -19.10699 -14.41383 -14.37293 -10.30186 -10.26478 -10.24215 -10.23221 -10.22685 -10.20935 -10.18496 -10.18447 -10.18058 -10.17336 -10.17334 -10.17038 -10.16965 -10.15515 -10.15471 -10.15395 -10.14973 -10.14940 -10.14796 -9.48816 -7.94813 -7.25282 -7.24327 -7.24218 -5.91231 -5.90852 -5.90149 -1.08001 -1.03226 -0.90977 -0.87484 -0.86846 -0.83079 -0.81391 -0.80230 -0.77946 -0.74822 -0.73499 -0.69538 -0.69132 -0.68402 -0.67981 -0.67899 -0.66177 -0.63380 -0.60627 -0.59361 -0.58405 -0.56428 -0.54725 -0.51148 -0.49808 -0.49007 -0.47936 -0.47020 -0.46505 -0.45444 -0.44504 -0.44381 -0.44052 -0.43626 -0.42953 -0.42505 -0.42217 -0.42165 -0.41233 -0.39559 -0.39339 -0.39036 -0.38569 -0.38371 -0.38014 -0.37375 -0.36932 -0.36411 -0.35994 -0.35653 -0.35073 -0.34695 -0.34270 -0.34077 -0.33147 -0.32501 -0.32227 -0.32035 -0.31353 -0.29963 -0.27407 -0.26262 -0.25288 -0.24661 -0.23942 -0.08337 -0.02871 -0.02625 -0.01226 -0.01024 0.00294 0.01307 0.01653 0.02044 0.02260 0.02801 0.03368 0.03505 0.03967 0.04280 0.04747 0.05256 0.05444 0.05559 0.05737 0.05779 0.06233 0.06981 0.07556 0.07602 0.07825 0.07981 0.08123 0.08544 0.08771 0.09126 0.09292 0.09575 0.10057 0.10175 0.10744 0.10845 0.11076 0.11474 0.11785 0.12035 0.12356 0.12765 0.13045 0.13140 0.13497 0.13698 0.14013 0.14198 0.14463 0.14904 0.15019 0.15415 0.15700 0.15967 0.16414 0.16596 0.16603 0.16843 0.17088 0.17281 0.17387 0.17959 0.18117 0.18668 0.18871 0.19221 0.19317 0.19716 0.19794 0.19935 0.20179 0.20565 0.20889 0.21202 0.21377 0.21499 0.21917 0.21969 0.22215 0.22419 0.22865 0.22987 0.23233 0.23323 0.23651 0.23822 0.24032 0.24096 0.24485 0.25148 0.25366 0.25393 0.25583 0.25924 0.26026 0.26230 0.26304 0.26573 0.27094 0.27161 0.27556 0.27686 0.27830 0.28002 0.28233 0.28480 0.28651 0.28847 0.29337 0.30069 0.30093 0.30546 0.30629 0.31229 0.31474 0.31589 0.31951 0.32232 0.32457 0.32975 0.33277 0.33545 0.33763 0.34040 0.34421 0.35120 0.35432 0.35859 0.35894 0.36302 0.36858 0.36970 0.37299 0.37555 0.38196 0.38595 0.39168 0.39767 0.40196 0.40668 0.40807 0.41819 0.42106 0.42845 0.43636 0.43976 0.44948 0.45810 0.46891 0.47058 0.47704 0.48416 0.49119 0.49626 0.50248 0.50860 0.51417 0.52389 0.52872 0.53339 0.53637 0.54376 0.55181 0.55510 0.55908 0.56416 0.56870 0.57078 0.57528 0.57956 0.58144 0.58957 0.59185 0.59653 0.60003 0.60656 0.61123 0.61637 0.62506 0.62998 0.63475 0.63637 0.64667 0.65467 0.65558 0.65763 0.66402 0.66718 0.67418 0.67667 0.67940 0.68191 0.68550 0.68823 0.69559 0.69849 0.70310 0.70732 0.71335 0.71708 0.72370 0.72888 0.73054 0.73554 0.73846 0.74161 0.74406 0.74745 0.75226 0.75982 0.76425 0.76730 0.77021 0.77182 0.77754 0.78387 0.78710 0.79699 0.79749 0.80142 0.80641 0.81053 0.81588 0.82283 0.83557 0.84458 0.84879 0.85172 0.85749 0.86064 0.86345 0.87625 0.87859 0.88525 0.89073 0.89912 0.90164 0.90799 0.91416 0.92175 0.92678 0.93097 0.93730 0.94397 0.94983 0.95504 0.96334 0.96946 0.97838 0.98201 0.99081 0.99838 1.00355 1.01778 1.02134 1.02999 1.03763 1.04410 1.05328 1.06873 1.07256 1.07991 1.08423 1.08574 1.09386 1.10761 1.12113 1.12592 1.14015 1.14700 1.15147 1.16635 1.17118 1.17956 1.18891 1.19036 1.19855 1.20728 1.21527 1.22717 1.23445 1.24911 1.25239 1.26316 1.27281 1.27840 1.29505 1.30472 1.31394 1.32819 1.34118 1.35935 1.36747 1.37849 1.38847 1.40584 1.41923 1.42908 1.45109 1.46074 1.46323 1.46650 1.47866 1.48133 1.48295 1.48490 1.49793 1.51045 1.51159 1.51428 1.52814 1.52883 1.53168 1.53317 1.54862 1.55484 1.55845 1.56718 1.57111 1.57784 1.58260 1.58560 1.59459 1.59878 1.60453 1.61082 1.61633 1.62969 1.63898 1.64456 1.64777 1.65474 1.66246 1.66857 1.67261 1.68266 1.68538 1.68621 1.69450 1.70040 1.70382 1.71253 1.71934 1.72394 1.72830 1.73392 1.73798 1.75458 1.75647 1.76649 1.77247 1.77336 1.78497 1.79359 1.79500 1.79800 1.80222 1.81431 1.81652 1.82282 1.83371 1.83804 1.85233 1.85948 1.86423 1.87299 1.87481 1.88655 1.90237 1.91864 1.92028 1.93436 1.94249 1.95109 1.95534 1.96365 1.97088 1.98504 1.98653 2.00374 2.00751 2.01465 2.02741 2.03246 2.03834 2.04548 2.04865 2.06311 2.06657 2.07099 2.08727 2.09211 2.10494 2.11099 2.12082 2.13382 2.13916 2.14955 2.15957 2.17404 2.17577 2.20066 2.20860 2.21856 2.22312 2.23194 2.23834 2.24817 2.25983 2.26580 2.27218 2.30160 2.31415 2.33264 2.33777 2.34808 2.35224 2.37657 2.39209 2.40045 2.43003 2.43860 2.44331 2.45246 2.45663 2.46207 2.47364 2.48515 2.49482 2.50850 2.50954 2.51812 2.52783 2.53457 2.54487 2.54833 2.55082 2.55493 2.56063 2.56262 2.56868 2.57105 2.57882 2.58354 2.59739 2.60318 2.61107 2.61616 2.62581 2.63060 2.63599 2.64926 2.66423 2.67007 2.68029 2.68640 2.69337 2.69505 2.71021 2.72570 2.73543 2.74576 2.75851 2.76442 2.77063 2.78011 2.79016 2.79261 2.80009 2.80937 2.81477 2.81640 2.83484 2.83801 2.83960 2.85713 2.87187 2.87778 2.88690 2.89511 2.90523 2.91166 2.92422 2.93874 2.94418 2.95572 2.96296 2.98037 2.98824 2.99316 3.00843 3.01434 3.03581 3.05169 3.06482 3.07899 3.10350 3.11650 3.12528 3.13336 3.16597 3.18782 3.19222 3.21002 3.21677 3.22109 3.23529 3.25304 3.26960 3.28999 3.30581 3.31993 3.34432 3.36506 3.42147 3.43401 3.48180 3.48911 3.54911 3.56650 3.57669 3.64258 3.66168 3.72394 3.74873 3.78406 3.78625 3.79124 3.79354 3.80041 3.81198 3.81807 3.82593 3.83444 3.83833 3.84214 3.85711 3.86614 3.87476 3.87957 3.91228 3.92827 4.02357 4.03312 4.05242 4.17558 4.18071 4.19858 4.26133 4.28191 4.29197 4.30782 4.31139 4.35049 4.45746 4.61427 4.85991 4.89018 5.12502 5.27038 5.51482 5.81906 7.99089 9.83873 17.40728 17.48438 17.54916 23.61046 23.66102 23.77587 23.83066 23.87263 23.88384 23.97806 23.98284 23.98725 23.99333 24.00343 24.00546 24.01861 24.02331 24.04128 24.06451 24.08182 24.11588 24.19460 26.00535 26.26145 26.83974 35.51628 35.60352 50.04600 189.17375 215.84246 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 49 Cl S 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 H H -0.014622 -0.057139 -0.371176 0.406993 0.101012 0.580231 -0.077425 0.595316 -0.684141 -0.665947 -0.623658 -0.481228 -0.466896 -0.531959 -0.440635 -0.436610 0.874630 -0.655927 -0.273352 -1.411080 -0.870287 1.333685 0.866184 -0.972534 0.159923 0.155005 0.146919 0.145960 0.155173 0.153664 0.153865 0.154747 0.154501 0.166423 0.177726 0.170306 0.169249 0.175983 0.164153 0.165337 0.170895 0.177152 0.159352 0.159974 0.158653 0.156728 0.249901 0.255533 0.219444 -0.00000 1.85559528e+00 -3.14481932e-01 1.26608859e+00 ./ancestor::cml:module[@dictRef='cc:finalization']/cml:molecule[@id='mol9999'] 4.7165 -0.7993 3.2181 5.7654 -167.6512 -148.5567 -164.7522 7.3574 -5.5423 4.5365 -7.3312 11.7633 -4.4321 7.3574 -5.5423 4.5365 41.6798 18.8866 4.5568 -5.2406 8.3063 18.4953 8.5222 -18.3340 16.2613 -31.4970 -5854.3740 -4202.7007 -1430.6954 31.2953 15.3556 105.0930 11.1316 15.8465 12.6038 -1793.8257 -1231.4401 -1026.5446 44.6469 20.1402 16.9501 (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A) (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A) (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A) (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(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 -1782.5531992 4.037E-9 2.819E-6 -4.4361612,7.9344422,-3.498281,-6.2261989,-5.5318495,0.0173725 C01 [X(C19H25Cl1N2O1S1)] 1.5735656 0.9566003 1.3243566 -0.000000766 -0.000002565 -0.000001967 0.000004835 0.000000194 -0.000003322 -0.000000007 0.000000811 0.000003635 0.000001812 -0.000005376 -0.000001657 -0.000000344 -0.000000784 0.000003711 -0.000003121 0.000000407 0.000000152 -0.000003171 0.000003263 0.000003978 0.000001272 0.000002415 0.000000030 -0.000002488 0.000000938 0.000000841 -0.000000239 0.000000185 -0.000000242 0.000001458 0.000002533 -0.000002607 0.000002501 -0.000001595 0.000005505 -0.000000255 -0.000001226 0.000004458 0.000002249 -0.000004395 0.000002355 -0.000000401 0.000003163 -0.000004403 -0.000001486 -0.000000329 -0.000002014 0.000003989 0.000001504 0.000000861 -0.000000276 -0.000001993 -0.000006578 -0.000000648 0.000004863 -0.000004423 -0.000002121 0.000001177 0.000000629 -0.000001069 0.000000192 -0.000005243 -0.000001191 -0.000002484 -0.000008662 0.000004133 0.000002147 0.000004103 0.000006133 -0.000004807 -0.000000559 -0.000002636 0.000002170 0.000001365 -0.000003044 0.000002979 -0.000000707 -0.000002822 0.000001387 0.000001813 -0.000000324 -0.000000278 0.000001366 0.000000440 -0.000000364 -0.000000060 -0.000000567 -0.000000348 0.000001029 -0.000001675 0.000002038 -0.000001452 -0.000000398 0.000001352 -0.000002990 -0.000001310 0.000002887 -0.000003285 -0.000000035 -0.000003482 0.000005271 -0.000001026 -0.000000520 0.000005311 -0.000001229 -0.000001890 0.000007080 -0.000003145 -0.000000052 0.000003905 -0.000002658 0.000000001 0.000002797 -0.000000891 0.000000135 0.000003216 -0.000000631 -0.000002066 0.000002559 0.000001042 -0.000004190 0.000004255 -0.000000214 -0.000002275 0.000005234 0.000001733 -0.000001322 -0.000003536 -0.000001333 0.000004254 -0.000001394 0.000002828 -0.000000093 -0.000004770 0.000000402 0.000003279 -0.000002588 0.000002083 0.000001565 -0.000004699 0.000002379 -0.000000510 -0.000006608 0.000002235 -0.000002897 -0.000001692 339.7340999999997 AuxInfo=1/0/N:6;7;8;9;10;11;12;13;14;15;16;17;18;19;20;21;22;23;24;1;4;5;3;2;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/rA:49nCl0S0O0N0N0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:-1.7901,-2.7244,-1.6957;-.071,-3.4585,1.0709;-2.7261,.0522,-1.642;-1.96,.6111,.4641;-1.3661,.279,1.6168;2.983,2.3897,-.1721;-2.387,2.0735,.3379;2.5827,.9081,-.2241;2.5663,3.1536,-1.44;2.2969,3.0506,1.0445;4.5155,2.5087,-.0205;-3.9071,2.1412,.1296;-1.6073,2.7041,-.8263;-2.0356,2.8217,1.6275;2.9473,.0471,.8274;1.8429,.3561,-1.2739;1.8305,-1.8335,-.2189;2.5803,-1.2921,.8334;1.4723,-.9907,-1.2713;-2.1533,-.276,-.5976;1.3326,-3.2454,-.1704;-.9486,-1.9357,.7754;-1.6054,-1.6105,-.3764;-.8891,-.9218,1.7726;2.8817,4.1971,-1.3542;3.0353,2.7351,-2.3352;1.483,3.1456,-1.5844;1.2088,2.9845,.9596;2.5947,2.5727,1.9812;2.5715,4.1086,1.1025;4.8067,3.5631,.0114;4.872,2.0365,.8979;5.0272,2.0393,-.8661;-4.4266,1.6576,.961;-4.2195,1.6752,-.802;-4.2058,3.1918,.1062;-1.8429,3.7699,-.8671;-1.8633,2.2588,-1.7854;-.533,2.5969,-.6616;-.9643,2.8125,1.8289;-2.5598,2.4146,2.4927;-2.3503,3.8589,1.4922;3.5205,.4313,1.663;1.5312,.9693,-2.1089;2.8603,-1.9232,1.6706;.8869,-1.3809,-2.0968;.9833,-3.5891,-1.1421;2.0836,-3.941,.2073;-.4039,-1.1173,2.7201; Gaussian 16 GINC-FUENLABRADA ALCAMI Optimization Pyridaben CONF131 water EM64L-G16RevC.01 141 C1[X(C19H25ClN2OS)] 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 0 339.7340999999997 AuxInfo=1/0/N:6;7;8;9;10;11;12;13;14;15;16;17;18;19;20;21;22;23;24;1;4;5;3;2;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/rA:49nCl0S0O0N0N0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:-1.7901,-2.7244,-1.6957;-.071,-3.4585,1.0709;-2.7261,.0522,-1.642;-1.96,.6111,.4641;-1.3661,.279,1.6168;2.983,2.3897,-.1721;-2.387,2.0735,.3379;2.5827,.9081,-.2241;2.5663,3.1536,-1.44;2.2969,3.0506,1.0445;4.5155,2.5087,-.0205;-3.9071,2.1412,.1296;-1.6073,2.7041,-.8263;-2.0356,2.8217,1.6275;2.9473,.0471,.8274;1.8429,.356,-1.2739;1.8305,-1.8335,-.2189;2.5803,-1.2921,.8334;1.4723,-.9907,-1.2713;-2.1533,-.276,-.5976;1.3326,-3.2454,-.1704;-.9486,-1.9357,.7754;-1.6054,-1.6105,-.3764;-.8891,-.9218,1.7726;2.8817,4.1971,-1.3542;3.0353,2.7351,-2.3352;1.483,3.1456,-1.5844;1.2088,2.9845,.9596;2.5947,2.5727,1.9812;2.5715,4.1086,1.1025;4.8067,3.5631,.0114;4.872,2.0365,.8979;5.0272,2.0394,-.8661;-4.4266,1.6576,.961;-4.2195,1.6752,-.802;-4.2058,3.1918,.1062;-1.8429,3.7699,-.8671;-1.8633,2.2588,-1.7854;-.533,2.5969,-.6616;-.9643,2.8125,1.8289;-2.5598,2.4146,2.4927;-2.3503,3.8589,1.4922;3.5205,.4313,1.663;1.5312,.9693,-2.1089;2.8603,-1.9232,1.6706;.8869,-1.3809,-2.0968;.9833,-3.5891,-1.1421;2.0836,-3.941,.2073;-.4039,-1.1173,2.7201; Optimization Pyridaben CONF131 water 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 49 35 32 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 1 1 34.9688527 31.9720718 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 1.0078250 1.0078250 3 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 1 1 14.2400000 13.6000000 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 1.0000000 1.0000000 (Enter /usr/local/gaussian/gaussian16/g16/l101.exe) Structure from the checkpoint file: "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 R50 1 2 2 3 4 4 4 5 6 6 6 6 7 7 7 8 8 9 9 9 10 10 10 11 11 11 12 12 12 13 13 13 14 14 14 15 15 16 16 17 17 17 18 19 20 21 21 22 22 24 23 21 22 20 5 7 20 24 8 9 10 11 12 13 14 15 16 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 18 43 19 44 18 19 21 45 46 23 47 48 23 24 49 1.7365 1.8859 1.7822 1.2356 1.3385 1.5287 1.3969 1.3015 1.5356 1.5379 1.5451 1.5445 1.5358 1.5365 1.5318 1.4071 1.3979 1.0935 1.0938 1.0929 1.0934 1.0929 1.0946 1.0944 1.0925 1.0942 1.0931 1.0875 1.0925 1.0924 1.088 1.0921 1.0901 1.0905 1.0923 1.3886 1.0837 1.3968 1.0818 1.4009 1.3951 1.4978 1.0852 1.0847 1.4595 1.0883 1.0911 1.3651 1.4233 1.0824 calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|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 A86 A87 A88 A89 21 5 5 7 4 8 8 8 9 9 10 4 4 4 12 12 13 6 6 15 6 6 6 25 25 26 6 6 6 28 28 29 6 6 6 31 31 32 7 7 7 34 34 35 7 7 7 37 37 38 7 7 7 40 40 41 8 8 18 8 8 19 18 18 19 15 15 17 16 16 17 3 3 4 2 2 2 17 17 47 2 2 23 1 1 20 5 5 22 2 4 4 4 5 6 6 6 6 6 6 7 7 7 7 7 7 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 21 21 21 22 22 22 23 23 23 24 24 24 22 7 20 20 24 9 10 11 10 11 11 12 13 14 13 14 14 15 16 16 25 26 27 26 27 27 28 29 30 29 30 30 31 32 33 32 33 33 34 35 36 35 36 36 37 38 39 38 39 39 40 41 42 41 42 42 18 43 43 19 44 44 19 21 21 17 45 45 17 46 46 4 23 23 17 47 48 47 48 48 23 24 24 20 22 22 22 49 49 99.2544 115.6179 123.9432 120.4006 119.6406 112.3751 108.8795 109.6532 108.4446 108.1515 109.289 109.2584 108.2643 109.4916 112.4232 108.6482 108.7216 119.8329 122.9867 117.1747 109.3401 111.6248 111.9509 107.7984 107.6561 108.3066 110.7875 111.5221 110.1053 108.1318 108.19 107.9908 109.942 111.9028 110.8016 107.7682 108.1388 108.1586 110.3481 112.4343 108.4123 108.9979 108.167 108.3704 108.6175 112.3653 110.1615 108.3998 108.2767 108.9215 112.1439 112.0445 107.0644 108.8187 108.3074 108.3164 121.6578 119.7606 118.5788 121.315 120.5462 118.1349 118.0688 121.192 120.5657 120.7288 119.7345 119.5264 121.0515 119.2527 119.6919 122.5434 123.0246 114.4258 112.0386 108.2421 102.2601 112.0568 112.5416 109.1904 125.4726 118.1547 116.2025 115.5613 122.6406 121.7536 123.9231 115.8317 120.227 calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|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 D118 D119 D120 D121 22 22 22 21 21 7 20 5 5 5 20 20 20 5 5 7 7 4 4 9 9 10 10 11 11 8 8 8 10 10 10 11 11 11 8 8 8 9 9 9 11 11 11 8 8 8 9 9 9 10 10 10 4 4 4 13 13 13 14 14 14 4 4 4 12 12 12 14 14 14 4 4 4 12 12 12 13 13 13 6 6 16 16 6 6 15 15 8 8 43 43 8 8 44 44 19 19 21 21 18 18 21 21 18 18 18 19 19 19 3 3 4 4 2 2 24 24 2 2 23 23 2 2 2 2 2 4 4 4 4 4 4 4 4 4 4 4 4 5 5 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 7 7 7 7 7 7 7 7 7 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 15 15 15 15 16 16 16 16 17 17 17 17 17 17 17 17 17 17 17 17 17 17 20 20 20 20 22 22 22 22 22 22 22 22 21 21 21 22 22 5 5 7 7 7 7 7 7 20 20 20 20 24 24 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 15 15 15 15 16 16 16 16 18 18 18 18 19 19 19 19 18 18 18 18 19 19 19 19 21 21 21 21 21 21 23 23 23 23 23 23 23 23 24 24 24 24 17 47 48 23 24 24 24 12 13 14 12 13 14 3 23 3 23 22 49 15 16 15 16 15 16 25 26 27 25 26 27 25 26 27 28 29 30 28 29 30 28 29 30 31 32 33 31 32 33 31 32 33 34 35 36 34 35 36 34 35 36 37 38 39 37 38 39 37 38 39 40 41 42 40 41 42 40 41 42 18 43 18 43 19 44 19 44 17 45 17 45 17 46 17 46 15 45 15 45 16 46 16 46 2 47 48 2 47 48 1 22 1 22 1 20 1 20 5 49 5 49 39.3568 -84.6983 160.1001 66.7356 -108.3275 -175.3335 2.4187 -119.898 117.3642 -1.0186 62.264 -60.4739 -178.8567 178.7018 -2.1784 -3.6481 175.4717 0.3317 178.7802 176.8335 -4.0668 -63.0089 116.0908 56.5186 -124.3817 -179.5245 -60.3405 61.2648 60.0664 179.2505 -59.1443 -58.3452 60.8389 -177.5559 -60.5263 59.9728 179.8349 62.0318 -177.4691 -57.607 179.72 -59.781 60.0811 179.6763 -60.6037 60.1971 56.8244 176.5444 -62.6548 -61.0477 58.6724 179.4731 58.0858 -63.8351 176.3761 178.3043 56.3835 -63.4053 -61.3165 176.7626 56.9738 -175.1607 64.9199 -56.7223 64.0476 -55.8718 -177.514 -56.2892 -176.2085 62.1493 60.9743 -61.7445 179.6378 -179.7694 57.5117 -61.1059 -57.1237 -179.8426 61.5397 178.5731 -0.7991 -0.5781 -179.9502 -178.5651 0.704 0.557 179.8261 0.1333 -178.6951 179.5126 0.6842 -0.0943 179.1864 -179.3806 -0.0998 0.3436 179.1744 -174.8943 3.9365 -0.3637 -179.6413 174.9054 -4.3722 71.8734 -166.2294 -42.7128 -103.2463 18.651 142.1676 0.7533 178.3872 -178.3618 -0.7279 5.4067 -172.0583 -179.4443 3.0907 172.4992 -5.8845 -3.0208 178.5955 calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|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. 0.00111 0.00167 0.00252 0.00267 0.00371 0.00389 0.00573 0.00691 0.00749 0.01004 0.01129 0.01528 0.01577 0.01719 0.01855 0.02055 0.02151 0.02217 0.02357 0.02401 0.02519 0.02570 0.02791 0.02998 0.03350 0.04205 0.04278 0.04383 0.04410 0.04485 0.04512 0.04537 0.04545 0.04550 0.04577 0.04632 0.04698 0.04714 0.04779 0.04795 0.04901 0.05223 0.05349 0.05863 0.06006 0.06116 0.07624 0.08623 0.09657 0.11556 0.11708 0.11824 0.11839 0.12027 0.12068 0.12166 0.12323 0.12556 0.12618 0.12745 0.12810 0.13047 0.13484 0.13747 0.14137 0.14375 0.14592 0.14623 0.14675 0.14738 0.15337 0.15427 0.15511 0.15686 0.15795 0.16777 0.17639 0.17902 0.18073 0.18625 0.19074 0.19274 0.19488 0.19675 0.20344 0.21136 0.22273 0.23255 0.24987 0.25229 0.25901 0.26647 0.26922 0.27276 0.27501 0.27804 0.28008 0.28123 0.30773 0.31310 0.32428 0.32778 0.32962 0.33031 0.33161 0.33208 0.33227 0.33360 0.33435 0.33468 0.33697 0.33739 0.33889 0.33977 0.33996 0.34045 0.34142 0.34208 0.34249 0.34677 0.34779 0.34842 0.35098 0.35445 0.35759 0.36060 0.36158 0.36930 0.37292 0.38624 0.41697 0.42271 0.42831 0.46032 0.46193 0.49899 0.51493 0.53538 0.57502 0.70980 1.40920 Angle between quadratic step and forces= 80.21 degrees. 1 2 0.00019076 0.00000003 0.00000001 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 R50 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 A86 A87 A88 A89 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 D118 D119 D120 D121 3.28147 3.56378 3.36796 2.33494 2.52948 2.88886 2.63981 2.45941 2.90193 2.90612 2.91987 2.91872 2.90222 2.90362 2.89461 2.65899 2.64170 2.06640 2.06703 2.06531 2.06630 2.06535 2.06842 2.06803 2.06448 2.06767 2.06570 2.05502 2.06455 2.06428 2.05604 2.06372 2.05991 2.06081 2.06417 2.62411 2.04797 2.63948 2.04429 2.64728 2.63642 2.83051 2.05074 2.04974 2.75804 2.05655 2.06179 2.57975 2.68971 2.04536 1.73232 2.01791 2.16322 2.10139 2.08812 1.96132 1.90031 1.91381 1.89272 1.88760 1.90745 1.90692 1.88957 1.91099 1.96216 1.89627 1.89755 2.09148 2.14652 2.04508 1.90835 1.94822 1.95391 1.88144 1.87895 1.89031 1.93361 1.94643 1.92170 1.88726 1.88827 1.88480 1.91885 1.95307 1.93385 1.88091 1.88738 1.88772 1.92594 1.96235 1.89215 1.90237 1.88787 1.89142 1.89573 1.96114 1.92268 1.89193 1.88979 1.90104 1.95728 1.95554 1.86863 1.89924 1.89032 1.89048 2.12333 2.09022 2.06959 2.11735 2.10393 2.06184 2.06069 2.11520 2.10427 2.10711 2.08976 2.08613 2.11275 2.08135 2.08902 2.13879 2.14718 1.99711 1.95544 1.88918 1.78478 1.95576 1.96422 1.90573 2.18991 2.06219 2.02812 2.01693 2.14048 2.12500 2.16287 2.02165 2.09836 0.68691 -1.47826 2.79427 1.16476 -1.89067 -3.06015 0.04221 -2.09261 2.04839 -0.01778 1.08671 -1.05547 -3.12164 3.11893 -0.03802 -0.06367 3.06256 0.00579 3.12030 3.08633 -0.07098 -1.09971 2.02617 0.98644 -2.17087 -3.13329 -1.05314 1.06927 1.04836 3.12851 -1.03226 -1.01831 1.06184 -3.09893 -1.05638 1.04672 3.13871 1.08266 -3.09742 -1.00543 3.13671 -1.04337 1.04861 3.13594 -1.05773 1.05064 0.99177 3.08128 -1.09353 -1.06548 1.02403 3.13240 1.01379 -1.11413 3.07834 3.11200 0.98408 -1.10663 -1.07018 3.08509 0.99438 -3.05713 1.13307 -0.98999 1.11784 -0.97515 -3.09820 -0.98243 -3.07542 1.08471 1.06420 -1.07765 3.13527 -3.13757 1.00377 -1.06650 -0.99700 -3.13885 1.07407 3.11669 -0.01395 -0.01009 -3.14072 -3.11655 0.01229 0.00972 3.13856 0.00233 -3.11882 3.13309 0.01194 -0.00165 3.12739 -3.13078 -0.00174 0.00600 3.12718 -3.05248 0.06870 -0.00635 -3.13533 3.05267 -0.07631 1.25443 -2.90125 -0.74548 -1.80199 0.32552 2.48129 0.01315 3.11344 -3.11300 -0.01270 0.09437 -3.00298 -3.13189 0.05394 3.01068 -0.10270 -0.05272 3.11708 0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00001 -0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 0.00001 -0.00001 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 -0.00001 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 0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00001 -0.00002 -0.00000 -0.00000 0.00001 0.00002 -0.00001 0.00000 -0.00001 -0.00000 -0.00001 0.00001 -0.00001 -0.00000 -0.00001 -0.00001 0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00001 0.00000 0.00000 0.00001 -0.00000 -0.00001 0.00000 -0.00001 0.00001 0.00001 -0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00001 0.00000 -0.00000 -0.00000 -0.00001 0.00000 0.00000 -0.00001 -0.00001 0.00004 -0.00002 -0.00001 -0.00000 0.00001 0.00001 -0.00002 -0.00000 0.00001 0.00000 0.00001 0.00002 -0.00001 -0.00000 -0.00000 0.00000 -0.00001 -0.00000 0.00001 0.00000 0.00000 0.00002 -0.00001 -0.00000 -0.00000 -0.00001 0.00000 -0.00001 -0.00000 0.00001 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00001 0.00000 0.00000 -0.00001 -0.00001 -0.00001 0.00001 0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00001 -0.00001 0.00000 -0.00001 0.00001 -0.00000 0.00001 -0.00001 0.00000 -0.00001 0.00001 0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00001 0.00001 0.00001 0.00000 -0.00001 0.00000 -0.00001 0.00002 -0.00002 0.00000 0.00001 -0.00001 0.00000 -0.00000 -0.00000 0.00000 -0.00003 -0.00003 -0.00003 -0.00001 -0.00001 0.00009 0.00011 0.00007 0.00007 0.00008 0.00005 0.00004 0.00005 -0.00014 -0.00015 -0.00011 -0.00012 -0.00001 0.00001 0.00015 0.00022 0.00016 0.00023 0.00017 0.00025 -0.00002 -0.00002 -0.00002 -0.00006 -0.00005 -0.00006 -0.00006 -0.00006 -0.00006 -0.00003 -0.00002 -0.00002 -0.00003 -0.00002 -0.00002 -0.00003 -0.00002 -0.00002 -0.00001 -0.00001 -0.00001 0.00002 0.00002 0.00002 0.00003 0.00003 0.00002 -0.00017 -0.00018 -0.00018 -0.00019 -0.00019 -0.00020 -0.00018 -0.00018 -0.00018 -0.00018 -0.00017 -0.00017 -0.00018 -0.00017 -0.00017 -0.00019 -0.00018 -0.00018 -0.00008 -0.00008 -0.00008 -0.00007 -0.00007 -0.00007 -0.00005 -0.00005 -0.00005 0.00010 0.00006 0.00003 -0.00000 -0.00008 -0.00007 -0.00001 -0.00000 -0.00001 -0.00001 0.00002 0.00002 -0.00002 0.00000 -0.00003 -0.00001 -0.00002 -0.00002 -0.00004 -0.00004 0.00003 0.00001 0.00005 0.00003 -0.00015 -0.00013 -0.00016 -0.00017 -0.00015 -0.00018 0.00003 0.00008 0.00005 0.00010 0.00004 -0.00001 0.00004 -0.00001 -0.00004 -0.00006 -0.00004 -0.00006 0.00001 -0.00002 -0.00000 -0.00000 0.00001 0.00002 -0.00001 0.00000 -0.00001 -0.00000 -0.00001 0.00001 -0.00001 -0.00000 -0.00001 -0.00001 0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00001 0.00000 0.00000 0.00001 -0.00000 -0.00001 0.00000 -0.00001 0.00001 0.00001 -0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00001 0.00000 -0.00000 -0.00000 -0.00001 0.00000 0.00000 -0.00001 -0.00001 0.00004 -0.00002 -0.00001 -0.00000 0.00001 0.00001 -0.00002 -0.00000 0.00001 0.00000 0.00001 0.00002 -0.00001 -0.00000 -0.00000 0.00000 -0.00001 -0.00000 0.00001 0.00000 0.00000 0.00002 -0.00001 -0.00000 -0.00000 -0.00001 0.00000 -0.00001 -0.00000 0.00001 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00001 0.00000 0.00000 -0.00001 -0.00001 -0.00001 0.00001 0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00001 -0.00001 0.00000 -0.00001 0.00001 -0.00000 0.00001 -0.00001 0.00000 -0.00001 0.00001 0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00001 0.00001 0.00001 0.00000 -0.00001 0.00000 -0.00001 0.00002 -0.00002 0.00000 0.00001 -0.00001 0.00000 -0.00000 -0.00000 0.00000 -0.00003 -0.00003 -0.00003 -0.00001 -0.00001 0.00009 0.00011 0.00007 0.00007 0.00008 0.00005 0.00004 0.00005 -0.00014 -0.00015 -0.00011 -0.00012 -0.00001 0.00001 0.00015 0.00022 0.00016 0.00023 0.00017 0.00025 -0.00002 -0.00002 -0.00002 -0.00006 -0.00005 -0.00006 -0.00006 -0.00006 -0.00006 -0.00003 -0.00002 -0.00002 -0.00003 -0.00002 -0.00002 -0.00003 -0.00002 -0.00002 -0.00001 -0.00001 -0.00001 0.00002 0.00002 0.00002 0.00003 0.00003 0.00002 -0.00017 -0.00018 -0.00018 -0.00019 -0.00019 -0.00020 -0.00018 -0.00018 -0.00018 -0.00018 -0.00017 -0.00017 -0.00018 -0.00017 -0.00017 -0.00019 -0.00018 -0.00018 -0.00008 -0.00008 -0.00008 -0.00007 -0.00007 -0.00007 -0.00005 -0.00005 -0.00005 0.00010 0.00006 0.00003 -0.00000 -0.00008 -0.00007 -0.00001 -0.00000 -0.00001 -0.00001 0.00002 0.00002 -0.00002 0.00000 -0.00003 -0.00001 -0.00002 -0.00002 -0.00004 -0.00004 0.00003 0.00001 0.00005 0.00003 -0.00015 -0.00013 -0.00016 -0.00017 -0.00015 -0.00018 0.00003 0.00008 0.00005 0.00010 0.00004 -0.00001 0.00004 -0.00001 -0.00004 -0.00006 -0.00004 -0.00006 3.28148 3.56375 3.36796 2.33494 2.52949 2.88888 2.63980 2.45941 2.90192 2.90611 2.91986 2.91873 2.90221 2.90361 2.89460 2.65898 2.64171 2.06640 2.06703 2.06531 2.06630 2.06535 2.06842 2.06803 2.06448 2.06767 2.06570 2.05502 2.06455 2.06428 2.05604 2.06372 2.05990 2.06081 2.06417 2.62412 2.04797 2.63947 2.04430 2.64727 2.63642 2.83052 2.05074 2.04974 2.75804 2.05654 2.06179 2.57973 2.68971 2.04536 1.73231 2.01791 2.16322 2.10139 2.08812 1.96130 1.90034 1.91379 1.89271 1.88760 1.90746 1.90693 1.88955 1.91098 1.96216 1.89627 1.89756 2.09149 2.14651 2.04508 1.90834 1.94823 1.95390 1.88144 1.87896 1.89031 1.93361 1.94644 1.92169 1.88725 1.88827 1.88479 1.91885 1.95306 1.93385 1.88092 1.88738 1.88772 1.92594 1.96235 1.89215 1.90237 1.88786 1.89142 1.89574 1.96114 1.92267 1.89192 1.88980 1.90104 1.95729 1.95554 1.86862 1.89925 1.89032 1.89048 2.12333 2.09022 2.06958 2.11735 2.10392 2.06185 2.06069 2.11521 2.10426 2.10712 2.08976 2.08613 2.11275 2.08135 2.08902 2.13879 2.14719 1.99710 1.95545 1.88920 1.78478 1.95575 1.96422 1.90572 2.18993 2.06217 2.02812 2.01694 2.14047 2.12500 2.16286 2.02164 2.09836 0.68687 -1.47830 2.79425 1.16475 -1.89068 -3.06006 0.04233 -2.09254 2.04846 -0.01770 1.08676 -1.05542 -3.12159 3.11880 -0.03817 -0.06378 3.06243 0.00578 3.12031 3.08648 -0.07076 -1.09956 2.02640 0.98661 -2.17062 -3.13332 -1.05316 1.06925 1.04830 3.12846 -1.03232 -1.01837 1.06178 -3.09899 -1.05641 1.04670 3.13869 1.08263 -3.09744 -1.00545 3.13667 -1.04340 1.04859 3.13593 -1.05774 1.05062 0.99179 3.08131 -1.09352 -1.06546 1.02406 3.13242 1.01361 -1.11431 3.07816 3.11181 0.98389 -1.10683 -1.07035 3.08491 0.99420 -3.05731 1.13290 -0.99016 1.11766 -0.97532 -3.09837 -0.98263 -3.07560 1.08453 1.06413 -1.07773 3.13519 -3.13763 1.00370 -1.06657 -0.99705 -3.13890 1.07402 3.11678 -0.01388 -0.01006 -3.14073 -3.11663 0.01222 0.00971 3.13856 0.00231 -3.11883 3.13310 0.01196 -0.00166 3.12740 -3.13081 -0.00175 0.00598 3.12717 -3.05252 0.06867 -0.00632 -3.13532 3.05273 -0.07628 1.25428 -2.90138 -0.74563 -1.80215 0.32537 2.48112 0.01318 3.11352 -3.11295 -0.01261 0.09441 -3.00299 -3.13185 0.05394 3.01064 -0.10276 -0.05277 3.11702 |Maximum Force|RMS Force|Maximum Displacement|RMS Displacement| 0.000008 0.000002 0.000905 0.000191 0.000450 0.000300 0.001800 0.001200 YES YES YES YES -2.387582e-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 R50 1 2 2 3 4 4 4 5 6 6 6 6 7 7 7 8 8 9 9 9 10 10 10 11 11 11 12 12 12 13 13 13 14 14 14 15 15 16 16 17 17 17 18 19 20 21 21 22 22 24 23 21 22 20 5 7 20 24 8 9 10 11 12 13 14 15 16 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 18 43 19 44 18 19 21 45 46 23 47 48 23 24 49 1.7365 1.8859 1.7822 1.2356 1.3385 1.5287 1.3969 1.3015 1.5356 1.5379 1.5451 1.5445 1.5358 1.5365 1.5318 1.4071 1.3979 1.0935 1.0938 1.0929 1.0934 1.0929 1.0946 1.0944 1.0925 1.0942 1.0931 1.0875 1.0925 1.0924 1.088 1.0921 1.0901 1.0905 1.0923 1.3886 1.0837 1.3968 1.0818 1.4009 1.3951 1.4978 1.0852 1.0847 1.4595 1.0883 1.0911 1.3651 1.4233 1.0824 -DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-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 A86 A87 A88 A89 21 5 5 7 4 8 8 8 9 9 10 4 4 4 12 12 13 6 6 15 6 6 6 25 25 26 6 6 6 28 28 29 6 6 6 31 31 32 7 7 7 34 34 35 7 7 7 37 37 38 7 7 7 40 40 41 8 8 18 8 8 19 18 18 19 15 15 17 16 16 17 3 3 4 2 2 2 17 17 47 2 2 23 1 1 20 5 5 22 2 4 4 4 5 6 6 6 6 6 6 7 7 7 7 7 7 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 21 21 21 22 22 22 23 23 23 24 24 24 22 7 20 20 24 9 10 11 10 11 11 12 13 14 13 14 14 15 16 16 25 26 27 26 27 27 28 29 30 29 30 30 31 32 33 32 33 33 34 35 36 35 36 36 37 38 39 38 39 39 40 41 42 41 42 42 18 43 43 19 44 44 19 21 21 17 45 45 17 46 46 4 23 23 17 47 48 47 48 48 23 24 24 20 22 22 22 49 49 99.2544 115.6179 123.9432 120.4006 119.6406 112.3751 108.8795 109.6532 108.4446 108.1515 109.289 109.2584 108.2643 109.4916 112.4232 108.6482 108.7216 119.8329 122.9867 117.1747 109.3401 111.6248 111.9509 107.7984 107.6561 108.3066 110.7875 111.5221 110.1053 108.1318 108.19 107.9908 109.942 111.9028 110.8016 107.7682 108.1388 108.1586 110.3481 112.4343 108.4123 108.9979 108.167 108.3704 108.6175 112.3653 110.1615 108.3998 108.2767 108.9215 112.1439 112.0445 107.0644 108.8187 108.3074 108.3164 121.6578 119.7606 118.5788 121.315 120.5462 118.1349 118.0688 121.192 120.5657 120.7288 119.7345 119.5264 121.0515 119.2527 119.6919 122.5434 123.0246 114.4258 112.0386 108.2421 102.2601 112.0568 112.5416 109.1904 125.4726 118.1547 116.2025 115.5613 122.6406 121.7536 123.9231 115.8317 120.227 -DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-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 D117 D118 D119 D120 22 22 22 21 21 7 20 5 5 5 20 20 20 5 5 7 7 4 4 9 9 10 10 11 11 8 8 8 10 10 10 11 11 11 8 8 8 9 9 9 11 11 11 8 8 8 9 9 9 10 10 10 4 4 4 13 13 13 14 14 14 4 4 4 12 12 12 14 14 14 4 4 4 12 12 12 13 13 13 6 6 16 16 6 6 15 15 8 8 43 43 8 8 44 44 19 19 21 21 18 18 21 21 18 18 18 19 19 19 3 3 4 4 2 2 24 24 2 2 23 2 2 2 2 2 4 4 4 4 4 4 4 4 4 4 4 4 5 5 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 7 7 7 7 7 7 7 7 7 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 15 15 15 15 16 16 16 16 17 17 17 17 17 17 17 17 17 17 17 17 17 17 20 20 20 20 22 22 22 22 22 22 22 21 21 21 22 22 5 5 7 7 7 7 7 7 20 20 20 20 24 24 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 15 15 15 15 16 16 16 16 18 18 18 18 19 19 19 19 18 18 18 18 19 19 19 19 21 21 21 21 21 21 23 23 23 23 23 23 23 23 24 24 24 17 47 48 23 24 24 24 12 13 14 12 13 14 3 23 3 23 22 49 15 16 15 16 15 16 25 26 27 25 26 27 25 26 27 28 29 30 28 29 30 28 29 30 31 32 33 31 32 33 31 32 33 34 35 36 34 35 36 34 35 36 37 38 39 37 38 39 37 38 39 40 41 42 40 41 42 40 41 42 18 43 18 43 19 44 19 44 17 45 17 45 17 46 17 46 15 45 15 45 16 46 16 46 2 47 48 2 47 48 1 22 1 22 1 20 1 20 5 49 5 39.3568 -84.6983 160.1001 66.7356 -108.3275 -175.3335 2.4187 -119.898 117.3642 -1.0186 62.264 -60.4739 -178.8567 178.7018 -2.1784 -3.6481 175.4717 0.3317 178.7802 176.8335 -4.0668 -63.0089 116.0908 56.5186 -124.3817 -179.5245 -60.3405 61.2648 60.0664 179.2505 -59.1443 -58.3452 60.8389 -177.5559 -60.5263 59.9728 179.8349 62.0318 -177.4691 -57.607 179.72 -59.781 60.0811 179.6763 -60.6037 60.1971 56.8244 176.5444 -62.6548 -61.0477 58.6724 179.4731 58.0858 -63.8351 176.3761 178.3043 56.3835 -63.4053 -61.3165 176.7626 56.9738 -175.1607 64.9199 -56.7223 64.0476 -55.8718 -177.514 -56.2892 -176.2085 62.1493 60.9743 -61.7445 179.6378 -179.7694 57.5117 -61.1059 -57.1237 -179.8426 61.5397 178.5731 -0.7991 -0.5781 -179.9502 -178.5651 0.704 0.557 179.8261 0.1333 -178.6951 179.5126 0.6842 -0.0943 179.1864 -179.3806 -0.0998 0.3436 179.1744 -174.8943 3.9365 -0.3637 -179.6413 174.9054 -4.3722 71.8734 -166.2294 -42.7128 -103.2463 18.651 142.1676 0.7533 178.3872 -178.3618 -0.7279 5.4067 -172.0583 -179.4443 3.0907 172.4992 -5.8845 -3.0208 -DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-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 718 A 694 A 694 1095 718 97 97 2546.9867254233 49 49 49 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 -0.0673851206 PCM SMD-Coulomb. Total charges None Matrix inversion Water 78.355300 1.777849 0.000000 3.338854 0.000000 2.930614 5.170514 0.000000 3.977306 4.527429 2.309786 0.000000 4.491434 3.993011 3.538527 1.338544 0.000000 7.159497 6.713685 6.341872 5.291675 5.154573 0.000000 5.245138 6.041848 2.849670 1.528720 2.428612 5.403465 0.000000 5.872109 5.271249 5.561145 4.604083 4.401936 1.535637 5.135331 0.000000 7.320848 7.548521 6.137559 5.529727 5.750753 1.537852 5.372440 2.553651 0.000000 7.587017 6.926467 6.437300 4.940603 4.628895 1.545127 4.836676 2.506221 2.501198 0.000000 8.363727 7.604872 7.816955 6.765171 6.499574 1.544520 6.925478 2.517763 2.496088 2.519847 0.000000 5.611327 6.852567 2.982787 2.498874 3.483730 6.901216 1.535790 6.615331 6.737502 6.336743 8.431938 0.000000 5.500672 6.628440 2.991595 2.483991 3.450759 4.647327 1.536528 4.598211 4.242349 4.343120 6.178638 2.553395 0.000000 6.470139 6.603791 4.340090 2.499190 2.629375 5.348938 1.531764 5.330863 5.540477 4.377542 6.762377 2.491864 2.493610 0.000000 6.040729 4.632391 6.187575 4.952964 4.391165 2.547130 5.727223 1.407075 3.864797 3.080737 3.039269 7.201063 5.526145 5.759147 0.000000 4.781800 4.869480 4.593887 4.189020 4.319695 2.578743 4.841464 1.397930 2.894373 3.583548 3.653473 6.182158 4.197281 5.435074 2.393896 0.000000 4.010452 2.814229 5.132708 4.561890 4.248645 4.377932 5.776053 2.842938 5.186942 5.066384 5.109120 6.988594 5.725149 6.326699 2.424606 2.430551 0.000000 5.248608 3.432073 6.007724 4.936863 4.319252 3.837814 6.020542 2.441129 4.993291 4.357038 4.349697 7.373536 6.021576 6.233796 1.388621 2.775038 1.400878 0.000000 3.718804 3.736042 4.341915 4.166331 4.243816 3.862321 5.183948 2.436142 4.289561 4.730177 4.803206 6.380395 4.830429 5.936540 2.767144 1.396754 1.395132 2.397514 0.000000 2.707863 4.153056 1.235598 1.396926 2.414796 5.802447 2.539628 4.895959 5.894586 5.793667 7.249788 3.073643 3.038250 3.815778 5.305742 4.101965 4.294205 5.048429 3.756294 0.000000 3.514182 1.885869 5.432616 5.110412 4.785246 5.871796 6.510352 4.337831 6.639355 6.484204 6.577390 7.520632 6.668511 7.168451 3.800432 3.801094 1.497842 2.525754 2.513014 4.599069 0.000000 2.726935 1.782246 3.599292 2.757850 2.405677 5.921544 4.281820 4.642850 6.569924 5.955595 7.088176 5.078431 4.952414 4.953827 4.371813 4.152620 2.953431 3.587597 3.308034 2.467956 2.795345 0.000000 1.736481 2.804255 2.371172 2.401596 2.756905 6.090743 3.833157 4.889410 6.421166 6.242826 7.386438 4.430470 4.337966 4.883139 4.992399 4.069832 3.446767 4.368615 3.264588 1.459490 3.368568 1.365143 0.000000 4.011205 2.756122 3.997841 2.282239 1.301465 5.453549 3.643362 4.403219 6.234574 5.144025 6.647757 4.603235 4.518505 3.917854 4.068218 4.286942 3.491916 3.613287 3.853096 2.762758 3.756344 1.423333 2.367569 0.000000 8.357618 8.556172 6.979329 6.293507 6.497849 2.162070 5.927258 3.490601 1.093494 2.722189 2.701682 7.246831 4.760120 5.912837 4.688948 3.979888 6.225983 5.916755 5.376458 6.777304 7.693620 7.537772 7.403968 7.085153 0.000000 7.314365 7.720842 6.393194 6.107457 6.404917 2.191181 6.081519 2.828366 1.093826 3.473762 2.756863 7.390892 4.881740 6.436149 4.151498 2.864987 5.177153 5.144442 4.178055 6.245581 6.584197 6.882142 6.652634 6.756331 1.767315 0.000000 6.721739 7.285499 5.223880 4.740688 5.155737 2.194542 4.452118 2.840024 1.092916 2.753612 3.470939 5.744533 3.212369 4.775031 4.190584 2.829703 5.174614 5.171281 4.148050 5.089483 6.547191 6.107380 5.798050 5.782675 1.764979 1.772544 0.000000 6.973903 6.569798 5.554318 3.989979 3.792282 2.186833 3.761168 2.756801 2.762180 1.093438 3.481513 5.250974 3.346386 3.316399 3.415856 3.507063 4.998873 4.492896 4.565990 4.935468 6.332726 5.375562 5.551450 4.507930 3.102069 3.775454 2.563763 0.000000 7.797792 6.656594 6.913177 5.186016 4.591436 2.195673 5.269450 2.763082 3.470354 1.092937 2.774944 6.774074 5.055272 4.650412 2.799012 4.009376 4.983932 4.031717 4.953436 6.108047 6.330292 5.859608 6.379535 4.938838 3.721077 4.341918 3.778561 1.770291 0.000000 8.575701 8.015247 7.214657 5.759728 5.516731 2.179037 5.414151 3.464513 2.715931 1.094563 2.756735 6.840293 4.811952 4.812143 4.088061 4.501073 6.132174 5.407373 5.731070 6.666158 7.565407 7.002242 7.234730 6.142445 2.477792 3.730836 3.054731 1.772259 1.769621 0.000000 9.271684 8.614940 8.473680 7.396435 7.173923 2.176268 7.353544 3.471413 2.700638 2.762013 1.094356 8.829823 6.525194 7.069479 4.060191 4.552063 6.167178 5.404207 5.787903 7.971817 7.645735 7.996493 8.248099 7.460438 2.443839 3.054452 3.710461 3.765436 3.123162 2.546363 0.000000 8.589349 7.393136 8.253529 6.992600 6.520665 2.199528 7.280700 2.788087 3.468484 2.771434 1.092476 8.813307 6.737930 6.990240 2.768941 4.088600 5.047280 4.041753 5.042540 7.545767 6.447226 7.047926 7.541977 6.535064 3.701616 3.783489 4.344802 3.784384 2.578244 3.102839 1.766581 0.000000 8.358066 7.744013 8.041469 7.254679 7.080760 2.187020 7.511415 2.769049 2.761722 3.482396 1.094163 8.990200 6.667809 7.530765 3.341030 3.624881 5.063266 4.469213 4.688521 7.549294 6.485514 7.362453 7.586337 7.122738 3.081815 2.571024 3.781681 4.336639 3.782691 3.766592 1.772107 1.770806 0.000000 5.762902 6.719940 3.499217 2.725113 3.420163 7.531418 2.172805 7.148131 7.543450 6.866820 9.035937 1.093121 3.498286 2.741579 7.548929 6.781996 7.261689 7.603527 6.840622 3.366888 7.647765 5.004262 4.519793 4.452656 8.075915 8.228367 6.604242 5.789501 7.153777 7.416233 9.475532 9.306538 9.636292 0.000000 5.104615 6.860933 2.360051 2.800153 3.992770 7.265229 2.194529 6.869612 6.974217 6.911222 8.809375 1.087469 2.807627 3.462118 7.527873 6.222162 7.018144 7.597133 6.302704 2.849245 7.445627 5.121071 4.220274 4.946181 7.555902 7.490402 5.940721 5.855241 7.415177 7.460951 9.257271 9.256121 9.254078 1.775232 0.000000 6.639542 7.890065 3.886201 3.439743 4.339390 7.238754 2.147594 7.169873 6.946455 6.571575 8.748876 1.092514 2.803495 2.676007 7.847039 6.821477 7.861099 8.166080 7.185507 4.090658 8.496344 6.111306 5.482439 5.540689 7.305858 7.655208 5.934821 5.485340 7.081326 6.911187 9.020576 9.185194 9.355278 1.770087 1.767779 0.000000 6.547176 7.690597 3.898976 3.429905 4.310873 5.067342 2.150786 5.309358 4.488817 4.616290 6.537349 2.811950 1.092368 2.675625 6.298977 5.040377 6.731526 6.934014 5.815294 4.066713 7.732017 6.004293 5.407987 5.467193 4.768846 5.198412 3.459208 3.642368 5.407279 4.845735 6.710559 7.156161 7.084753 3.805134 3.168597 2.620013 0.000000 4.984495 6.637581 2.373584 2.790093 3.967581 5.109521 2.194750 4.901907 4.532300 5.093433 6.623194 2.803224 1.088009 3.463252 5.904264 4.197374 5.731107 6.261966 4.685051 2.814212 6.566422 4.998759 4.125903 4.870768 5.143775 4.952364 3.467662 4.183266 5.844652 5.606188 7.029830 7.253590 6.955057 3.804521 2.618971 3.152089 1.768425 0.000000 5.564677 6.315255 3.499488 2.692032 3.355243 3.556001 2.170311 3.570826 3.243719 3.335449 5.089809 3.495453 1.092074 2.747357 4.564117 3.322840 5.040944 5.201136 4.154965 3.298874 6.152559 4.773039 4.351270 4.293408 3.834153 3.943734 2.284034 2.410907 4.094833 3.877522 5.467966 5.653368 5.591844 4.321458 3.802530 3.799017 1.770346 1.773974 0.000000 6.615245 6.379454 4.771822 2.774909 2.573847 4.445699 2.189352 4.519133 4.823674 3.362727 5.791436 3.463854 2.734081 1.090056 4.894010 4.852034 5.795701 5.513889 5.478378 4.103632 6.780179 4.863666 4.983681 3.735480 5.180889 5.774346 4.213176 2.346880 3.570324 3.835327 6.096830 5.960854 6.615064 3.751559 4.337185 3.690345 2.992848 3.765376 2.536767 0.000000 6.674126 6.535150 4.764912 2.779837 2.598593 6.150147 2.188489 6.007920 6.503039 5.107799 7.508932 2.733947 3.465098 1.090535 6.221446 6.148879 6.683864 6.550812 6.482403 4.117539 7.367366 4.946701 5.034274 3.800174 6.898273 7.397074 5.788005 4.108224 5.182179 5.579647 7.857525 7.610371 8.305685 2.530645 3.762530 3.001506 3.693139 4.337241 3.753769 1.773247 0.000000 7.335945 7.675733 4.945232 3.428945 3.714816 5.776913 2.126359 5.998918 5.767881 4.738228 7.158927 2.689028 2.694632 1.092309 6.560240 6.124086 7.267135 7.160854 6.765202 4.637137 8.173078 6.004662 5.827608 5.006921 5.965763 6.701999 4.966716 3.703459 5.132873 4.943533 7.314550 7.472371 7.956121 3.072252 3.677719 2.410130 2.414853 3.679692 3.087723 1.769006 1.769494 0.000000 7.031514 5.327320 7.077268 5.612995 4.889164 2.737118 6.273098 2.160602 4.236812 2.956408 2.852988 7.774620 6.136473 6.048583 1.083738 3.383189 3.395164 2.131325 3.850648 6.148363 4.654708 5.134581 5.882450 4.613851 4.867586 4.639927 4.697257 3.515329 2.354590 3.838886 3.767010 2.233511 3.354425 8.071756 8.217752 8.351026 6.805476 6.649591 5.150224 5.080479 6.449153 6.800314 0.000000 4.984473 5.681800 4.379965 4.351702 4.769850 2.806559 4.749596 2.159088 2.508039 3.855123 3.954391 5.996634 3.808510 5.487602 3.387808 1.081794 3.393719 3.856292 2.132187 4.172532 4.643289 4.786146 4.415314 4.949718 3.579452 2.330622 2.239131 3.685200 4.520084 4.609803 4.685305 4.619623 3.861559 6.737476 5.939436 6.539060 4.557493 3.645607 3.000816 5.013130 6.324552 6.031921 4.298145 0.000000 5.796558 3.362955 6.788510 5.577937 4.766005 4.691660 6.729346 3.418076 5.961260 5.044593 5.024023 8.043114 6.899650 6.818035 2.144942 3.860105 2.153731 1.085207 3.383927 5.744027 2.733349 3.912743 4.922434 3.882151 6.827038 6.146301 6.179318 5.226696 4.514466 6.065338 6.053176 4.508129 5.179941 8.150134 8.317806 8.862285 7.808456 7.193426 6.114325 6.089287 6.990656 7.785572 2.445332 4.941375 0.000000 3.021968 3.907470 3.913426 4.316431 4.650012 4.724011 5.345992 3.409163 4.879952 5.611988 5.710253 6.351760 4.952011 6.330359 3.851709 2.146652 2.149899 3.385480 1.084676 3.565310 2.717716 3.453482 3.037142 4.282205 5.970371 4.649112 4.594225 5.338755 5.931156 6.573279 6.652256 6.043891 5.509549 6.842262 6.090314 7.190176 5.957821 4.572542 4.460845 6.035168 6.881100 7.128576 4.935260 2.436926 4.287419 0.000000 2.957329 2.454742 5.221935 5.374389 5.300297 6.378565 6.753816 4.860603 6.932457 7.112807 7.135641 7.639947 6.812806 7.608022 4.578021 4.039848 2.156882 3.424758 2.647208 4.594682 1.088277 3.184730 3.346965 4.372086 8.017117 6.754996 6.767615 6.905056 7.093639 8.174004 8.191624 7.136618 6.936054 7.824162 7.409267 8.629298 7.887844 6.535614 6.387195 7.321191 7.861854 8.574655 5.519956 4.691842 3.769565 2.407659 0.000000 4.484056 2.370812 6.519090 6.094038 5.629817 6.405502 7.495123 4.893737 7.299314 7.044721 6.896668 8.537359 7.671172 8.044734 4.127393 4.551517 2.164923 2.766790 3.356223 5.659570 1.091051 3.679392 4.402278 4.516834 8.324900 7.206960 7.334126 7.020895 6.770242 8.113831 7.985285 6.631933 6.751386 8.619413 8.502274 9.510115 8.719489 7.614812 7.095419 7.584722 8.196115 9.063557 4.827083 5.457108 2.610726 3.646218 1.776326 0.000000 4.899327 2.883000 5.078260 3.240115 2.023089 5.668780 4.448517 4.657257 6.661067 5.241533 6.697655 5.440714 5.350529 4.401419 4.021062 4.813643 3.760736 3.534907 4.412218 3.843864 3.987362 2.179102 3.357851 1.082357 7.459133 7.226724 6.345149 4.746062 4.811837 6.227330 7.509559 6.411079 7.233372 5.193960 5.895993 6.313149 6.230913 5.816151 5.024750 4.068381 4.144149 5.482657 4.349307 5.605132 3.522167 4.993852 4.790628 4.524842 0.000000 C19H25ClN2OS 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 0 339.7340999999997 AuxInfo=1/0/N:6;7;8;9;10;11;12;13;14;15;16;17;18;19;20;21;22;23;24;1;4;5;3;2;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/rA:49nCl0S0O0N0N0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:-3.2571,-.8624,-1.5615;-2.3649,-2.5231,1.1943;-2.1148,1.8364,-1.5746;-1.1005,1.7683,.4995;-.8376,1.1379,1.6507;3.7544,-.1875,-.2798;-.4547,3.1444,.337;2.471,-1.0308,-.2798;3.9064,.6472,-1.5624;3.7202,.775,.9285;4.9845,-1.1136,-.1597;-1.5538,4.2014,.1544;.5074,3.0865,-.8597;.3475,3.4845,1.5968;2.2084,-1.9058,.7903;1.5164,-.964,-1.2989;.0912,-2.5827,-.1782;1.0463,-2.6641,.8434;.3467,-1.7256,-1.2489;-1.8687,1.2218,-.5313;-1.2155,-3.3081,-.0782;-2.0218,-.8047,.869;-2.3362,-.1378,-.2799;-1.2717,-.0752,1.8339;4.837,1.2195,-1.5139;3.9497,.0135,-2.453;3.086,1.3584,-1.6868;2.8596,1.4466,.8655;3.6576,.2298,1.8737;4.6288,1.3849,.9496;5.9024,-.5177,-.165;4.9691,-1.6938,.7659;5.0277,-1.8132,-.9999;-2.235,4.193,1.0093;-2.1276,4.0502,-.7569;-1.0815,5.1853,.1047;1.0363,4.0398,-.9283;-.0116,2.9131,-1.8001;1.2454,2.2953,-.7114;1.1494,2.7689,1.7789;-.2854,3.5368,2.4833;.7951,4.4678,1.436;2.9198,-1.9899,1.6035;1.6618,-.3072,-2.1462;.8655,-3.3132,1.6941;-.3777,-1.6378,-2.0515;-1.7373,-3.3436,-1.0325;-1.1022,-4.3227,.3067;-1.0065,-.5335,2.7779; 0.2470728 0.1991458 0.1382076 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= 694 RedAO= T EigKep= 1.23D-06 NBF= 694 NBsUse= 692 1.00D-06 EigRej= 6.18D-07 NBFU= 692 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= 709 709 709 709 709 MxSgAt= 49 MxSgA2= 49. 1 Closed 1 1 1 -1782.55319924108 -1782.55319924129 -0.000000000209 -1782.55319924 2 1.776683963949e+03 -9.281372252259e+03 3.175203625011e+03 Using DIIS extrapolation, IDIIS= 1040. NGot= 11324620800 LenX= 11323575936 LenY= 11323059694 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= 49. Will process 50 centers per pass. Symmetrizing basis deriv contribution to polar: IMax=3 JMax=2 DiffMx= 0.00D+00 Minotr: Closed shell wavefunction. IDoAtm=1111111111111111111111111111111111111111111111111 NEqPCM: Using equilibrium solvation (IEInf=0, Eps= 78.3553, EpsInf= 1.7778) 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. 15135 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= 810000000 NMat= 147 IRICut= 367 DoRegI=T DoRafI=T ISym2E= 2 IDoP0=3 IntGTp=3. There are 150 degrees of freedom in the 1st order CPHF. IDoFFX=6 NUNeed= 3. 147 vectors produced by pass 0 Test12= 5.77D-14 1.00D-09 XBig12= 2.80D+02 6.36D+00. AX will form 147 AO Fock derivatives at one time. 147 vectors produced by pass 1 Test12= 5.77D-14 1.00D-09 XBig12= 4.91D+01 1.13D+00. 147 vectors produced by pass 2 Test12= 5.77D-14 1.00D-09 XBig12= 4.71D-01 4.95D-02. 147 vectors produced by pass 3 Test12= 5.77D-14 1.00D-09 XBig12= 2.02D-03 3.74D-03. 147 vectors produced by pass 4 Test12= 5.77D-14 1.00D-09 XBig12= 5.38D-06 1.72D-04. 119 vectors produced by pass 5 Test12= 5.77D-14 1.00D-09 XBig12= 8.70D-09 7.06D-06. 41 vectors produced by pass 6 Test12= 5.77D-14 1.00D-09 XBig12= 1.25D-11 2.13D-07. 3 vectors produced by pass 7 Test12= 5.77D-14 1.00D-09 XBig12= 2.06D-14 1.03D-08. InvSVY: IOpt=1 It= 1 EMax= 3.20D-14 Solved reduced A of dimension 898 with 150 vectors. FullF1: Do perturbations 1 to 3. Isotropic polarizability for W= 0.000000 405.77 Bohr**3. End of Minotr F.D. properties file 721 does not exist. 397.047 46.547 420.887 31.470 -34.391 399.390 407.212 52.952 433.167 41.311 -41.433 442.550 (Enter /usr/local/gaussian/gaussian16/g16/l716.exe) PT74072.700S Fri Sep 6 04:40:13 2024 -101.57336 -88.86228 -19.10699 -14.41383 -14.37293 -10.30186 -10.26478 -10.24215 -10.23221 -10.22685 -10.20935 -10.18496 -10.18447 -10.18058 -10.17336 -10.17334 -10.17038 -10.16965 -10.15515 -10.15471 -10.15395 -10.14973 -10.14940 -10.14796 -9.48816 -7.94813 -7.25282 -7.24327 -7.24218 -5.91231 -5.90852 -5.90149 -1.08001 -1.03226 -0.90977 -0.87484 -0.86846 -0.83079 -0.81391 -0.80230 -0.77946 -0.74822 -0.73499 -0.69538 -0.69132 -0.68402 -0.67981 -0.67899 -0.66177 -0.63380 -0.60627 -0.59361 -0.58405 -0.56428 -0.54725 -0.51148 -0.49808 -0.49007 -0.47936 -0.47020 -0.46505 -0.45444 -0.44504 -0.44381 -0.44052 -0.43626 -0.42953 -0.42505 -0.42217 -0.42165 -0.41233 -0.39559 -0.39339 -0.39036 -0.38569 -0.38371 -0.38014 -0.37375 -0.36932 -0.36411 -0.35994 -0.35653 -0.35073 -0.34695 -0.34270 -0.34077 -0.33147 -0.32501 -0.32227 -0.32035 -0.31353 -0.29963 -0.27407 -0.26262 -0.25288 -0.24661 -0.23942 -0.08337 -0.02871 -0.02625 -0.01226 -0.01024 0.00294 0.01307 0.01653 0.02044 0.02260 0.02801 0.03368 0.03505 0.03967 0.04280 0.04747 0.05256 0.05444 0.05559 0.05737 0.05779 0.06233 0.06981 0.07556 0.07602 0.07825 0.07981 0.08123 0.08544 0.08771 0.09126 0.09292 0.09575 0.10057 0.10175 0.10744 0.10845 0.11076 0.11474 0.11785 0.12035 0.12356 0.12765 0.13045 0.13140 0.13497 0.13698 0.14013 0.14198 0.14463 0.14904 0.15019 0.15415 0.15700 0.15967 0.16414 0.16596 0.16603 0.16843 0.17088 0.17281 0.17387 0.17959 0.18117 0.18668 0.18871 0.19221 0.19317 0.19716 0.19794 0.19935 0.20179 0.20565 0.20889 0.21202 0.21377 0.21499 0.21917 0.21969 0.22215 0.22419 0.22865 0.22987 0.23233 0.23323 0.23651 0.23822 0.24032 0.24096 0.24485 0.25148 0.25366 0.25393 0.25583 0.25924 0.26026 0.26230 0.26304 0.26573 0.27094 0.27161 0.27556 0.27686 0.27830 0.28002 0.28233 0.28480 0.28651 0.28847 0.29337 0.30069 0.30093 0.30546 0.30629 0.31229 0.31474 0.31589 0.31951 0.32232 0.32457 0.32975 0.33277 0.33545 0.33763 0.34040 0.34421 0.35120 0.35432 0.35859 0.35894 0.36302 0.36858 0.36970 0.37299 0.37555 0.38196 0.38595 0.39168 0.39767 0.40196 0.40668 0.40807 0.41819 0.42106 0.42845 0.43636 0.43976 0.44948 0.45810 0.46891 0.47058 0.47704 0.48416 0.49119 0.49626 0.50248 0.50860 0.51417 0.52389 0.52872 0.53339 0.53637 0.54376 0.55181 0.55510 0.55908 0.56416 0.56870 0.57078 0.57528 0.57956 0.58144 0.58957 0.59185 0.59653 0.60003 0.60656 0.61123 0.61637 0.62506 0.62998 0.63475 0.63637 0.64667 0.65467 0.65558 0.65763 0.66402 0.66718 0.67418 0.67667 0.67940 0.68191 0.68550 0.68823 0.69559 0.69849 0.70310 0.70732 0.71335 0.71708 0.72370 0.72888 0.73054 0.73554 0.73846 0.74161 0.74406 0.74745 0.75226 0.75982 0.76425 0.76730 0.77021 0.77182 0.77754 0.78387 0.78710 0.79699 0.79749 0.80142 0.80641 0.81053 0.81588 0.82283 0.83557 0.84458 0.84879 0.85172 0.85749 0.86064 0.86345 0.87625 0.87859 0.88525 0.89073 0.89912 0.90164 0.90799 0.91416 0.92175 0.92678 0.93097 0.93730 0.94397 0.94983 0.95504 0.96334 0.96946 0.97838 0.98201 0.99081 0.99838 1.00355 1.01778 1.02134 1.02999 1.03763 1.04410 1.05328 1.06873 1.07256 1.07991 1.08423 1.08574 1.09386 1.10761 1.12113 1.12592 1.14015 1.14700 1.15147 1.16635 1.17118 1.17956 1.18891 1.19036 1.19855 1.20728 1.21527 1.22717 1.23445 1.24911 1.25239 1.26316 1.27281 1.27840 1.29505 1.30472 1.31394 1.32819 1.34118 1.35935 1.36747 1.37849 1.38847 1.40584 1.41923 1.42908 1.45109 1.46074 1.46323 1.46650 1.47866 1.48133 1.48295 1.48490 1.49793 1.51045 1.51159 1.51428 1.52814 1.52883 1.53168 1.53317 1.54862 1.55484 1.55845 1.56718 1.57111 1.57784 1.58260 1.58560 1.59459 1.59878 1.60453 1.61082 1.61633 1.62969 1.63898 1.64456 1.64777 1.65474 1.66246 1.66857 1.67261 1.68266 1.68538 1.68621 1.69450 1.70040 1.70382 1.71253 1.71934 1.72394 1.72830 1.73392 1.73798 1.75458 1.75647 1.76649 1.77247 1.77336 1.78497 1.79359 1.79500 1.79800 1.80222 1.81431 1.81652 1.82282 1.83371 1.83804 1.85233 1.85948 1.86423 1.87299 1.87481 1.88655 1.90237 1.91864 1.92028 1.93436 1.94249 1.95109 1.95534 1.96365 1.97088 1.98504 1.98653 2.00374 2.00751 2.01465 2.02741 2.03246 2.03834 2.04548 2.04865 2.06311 2.06657 2.07099 2.08727 2.09211 2.10494 2.11099 2.12082 2.13382 2.13916 2.14955 2.15957 2.17404 2.17577 2.20066 2.20860 2.21856 2.22312 2.23194 2.23834 2.24817 2.25983 2.26580 2.27218 2.30160 2.31415 2.33264 2.33777 2.34808 2.35224 2.37657 2.39209 2.40045 2.43003 2.43860 2.44331 2.45246 2.45663 2.46207 2.47364 2.48515 2.49482 2.50850 2.50954 2.51812 2.52783 2.53457 2.54487 2.54833 2.55082 2.55493 2.56063 2.56262 2.56868 2.57105 2.57882 2.58354 2.59739 2.60318 2.61107 2.61616 2.62581 2.63060 2.63599 2.64926 2.66423 2.67007 2.68029 2.68640 2.69337 2.69505 2.71021 2.72570 2.73543 2.74576 2.75851 2.76442 2.77063 2.78011 2.79016 2.79261 2.80009 2.80937 2.81477 2.81640 2.83484 2.83801 2.83960 2.85713 2.87187 2.87778 2.88690 2.89511 2.90523 2.91166 2.92422 2.93874 2.94418 2.95572 2.96296 2.98037 2.98824 2.99316 3.00843 3.01434 3.03581 3.05169 3.06482 3.07899 3.10350 3.11650 3.12528 3.13336 3.16597 3.18782 3.19222 3.21002 3.21677 3.22109 3.23529 3.25304 3.26960 3.28999 3.30581 3.31993 3.34432 3.36506 3.42147 3.43401 3.48180 3.48911 3.54911 3.56650 3.57669 3.64258 3.66168 3.72394 3.74873 3.78406 3.78625 3.79124 3.79354 3.80041 3.81198 3.81807 3.82593 3.83444 3.83833 3.84214 3.85711 3.86614 3.87476 3.87957 3.91228 3.92827 4.02357 4.03312 4.05242 4.17558 4.18071 4.19858 4.26133 4.28191 4.29197 4.30782 4.31139 4.35049 4.45746 4.61427 4.85991 4.89018 5.12502 5.27038 5.51482 5.81906 7.99089 9.83873 17.40728 17.48438 17.54916 23.61046 23.66102 23.77587 23.83066 23.87263 23.88384 23.97806 23.98284 23.98725 23.99333 24.00343 24.00546 24.01861 24.02331 24.04128 24.06451 24.08182 24.11588 24.19460 26.00535 26.26145 26.83974 35.51628 35.60352 50.04600 189.17375 215.84246 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 49 Cl S 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 H H -0.014622 -0.057139 -0.371176 0.406993 0.101012 0.580231 -0.077425 0.595316 -0.684141 -0.665947 -0.623658 -0.481228 -0.466896 -0.531959 -0.440635 -0.436610 0.874630 -0.655927 -0.273352 -1.411080 -0.870287 1.333685 0.866184 -0.972534 0.159923 0.155005 0.146919 0.145960 0.155173 0.153664 0.153865 0.154747 0.154501 0.166423 0.177726 0.170306 0.169249 0.175983 0.164153 0.165337 0.170895 0.177152 0.159352 0.159974 0.158653 0.156728 0.249901 0.255533 0.219444 -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 Cl S O N N C C C C C C C C C C C C C C C C C C C -0.014622 -0.057139 -0.371176 0.406993 0.101012 0.580231 -0.077425 0.595316 -0.222294 -0.211151 -0.160545 0.033227 0.042488 -0.018575 -0.281283 -0.276636 0.874630 -0.497275 -0.116624 -1.411080 -0.364853 1.333685 0.866184 -0.753090 0.00000 1.85559528e+00 -3.14481984e-01 1.26608864e+00 3.97046966e+02 4.65469189e+01 4.20887061e+02 3.14701644e+01 -3.43905526e+01 3.99389983e+02 -9.6588 -5.4009 -0.0005 0.0005 0.0016 4.4903 21.9203 35.4388 47.5530 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 50 51 52 53 54 55 56 57 58 59 60 61 62 63 64 65 66 67 68 69 70 71 72 73 74 75 76 77 78 79 80 81 82 83 84 85 86 87 88 89 90 91 92 93 94 95 96 97 98 99 100 101 102 103 104 105 106 107 108 109 110 111 112 113 114 115 116 117 118 119 120 121 122 123 124 125 126 127 128 129 130 131 132 133 134 135 136 137 138 139 140 141 A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A 21.0766 35.3615 47.4822 51.6663 60.1631 71.9604 82.8101 90.4040 109.5936 151.6904 172.7636 186.0267 205.8302 217.1990 232.8971 234.9770 254.8412 268.4373 275.8003 287.1734 303.4628 309.8807 325.3320 342.7021 346.2392 347.5478 354.0504 373.6019 378.9977 387.9285 399.6597 418.3326 438.4250 444.5754 465.4635 477.2160 485.2137 528.7668 554.4675 561.1291 567.7056 630.2752 640.4932 646.4549 655.1016 659.2939 676.7414 764.4037 775.4302 792.9168 820.3859 845.1190 851.7005 853.9323 859.3365 900.1170 911.9731 934.1848 937.3911 941.0169 941.9856 947.0742 970.7788 978.2710 981.8869 993.7018 1034.7258 1047.5227 1048.1040 1054.1765 1056.4817 1110.5687 1126.5988 1136.7526 1156.5969 1167.7883 1200.6667 1216.0608 1219.9239 1223.1939 1225.9079 1236.8360 1247.3150 1262.9216 1275.2082 1285.0289 1285.4835 1328.1842 1353.7941 1396.4449 1398.2505 1399.4700 1403.2304 1405.7237 1421.4395 1425.0030 1438.1635 1464.9457 1473.4210 1475.3241 1475.9899 1477.4053 1479.2795 1479.5762 1481.7435 1490.8612 1491.6475 1495.8386 1504.6757 1505.1936 1511.6312 1542.0197 1594.5319 1603.3006 1626.3650 1646.6046 3017.9547 3019.8193 3026.9532 3041.1045 3044.9024 3051.5979 3079.2427 3080.5598 3083.9845 3087.6249 3094.0834 3095.2478 3097.5919 3102.3506 3110.4293 3117.1405 3132.2583 3140.7369 3144.4136 3150.6238 3162.8107 3170.3380 3182.7607 3204.0767 3207.4072 5.1234 4.2273 4.1943 4.3043 3.8720 4.2930 3.9776 4.4215 4.6712 3.7901 1.4891 4.0262 10.5052 2.7438 1.2245 1.3358 2.3141 2.5488 3.0137 1.1532 4.0970 4.1752 3.4017 1.6937 1.1389 2.3663 1.8378 2.4727 2.7053 3.7484 4.2205 2.8702 3.3770 3.5506 3.7419 2.9044 4.1074 3.1193 3.7150 4.6739 4.1805 3.7798 7.3517 5.6423 6.3619 7.6540 4.0806 3.8159 10.6412 5.7447 3.6588 3.4567 1.3696 1.6858 2.5392 1.4645 1.5317 1.8190 6.9361 1.6843 1.6684 1.7024 1.2096 1.3239 1.1950 1.3661 2.8318 1.5320 1.4418 1.3766 1.3792 7.2028 2.6720 1.3740 4.4417 1.1632 2.0278 1.3577 2.6151 3.0098 2.1480 1.9816 2.7664 2.1196 2.6429 2.9750 3.5471 4.2485 1.4322 1.2077 1.2325 1.2264 1.2674 1.7055 1.2155 1.2224 2.4752 1.0464 1.0445 1.1306 1.0459 1.0487 1.0534 1.0785 1.0520 1.0521 1.0597 1.0519 1.2905 1.0930 3.2085 2.3090 8.4694 5.8715 10.0511 5.7231 1.0351 1.0351 1.0362 1.0388 1.0369 1.0378 1.0596 1.1027 1.1015 1.1014 1.1022 1.1014 1.1019 1.1026 1.1019 1.1014 1.1027 1.1081 1.1002 1.0983 1.0885 1.0899 1.0934 1.0915 1.0932 0.0013 0.0031 0.0056 0.0068 0.0083 0.0131 0.0161 0.0213 0.0331 0.0514 0.0262 0.0821 0.2622 0.0763 0.0391 0.0435 0.0885 0.1082 0.1351 0.0560 0.2223 0.2362 0.2121 0.1172 0.0804 0.1684 0.1357 0.2034 0.2289 0.3324 0.3972 0.2959 0.3825 0.4135 0.4777 0.3897 0.5698 0.5138 0.6729 0.8671 0.7938 0.8847 1.7769 1.3893 1.6086 1.9602 1.1011 1.3137 3.7699 2.1280 1.4509 1.4546 0.5854 0.7243 1.1048 0.6991 0.7506 0.9353 3.5910 0.8788 0.8722 0.8997 0.6716 0.7465 0.6788 0.7948 1.7864 0.9905 0.9332 0.9013 0.9070 5.2341 1.9981 1.0461 3.5007 0.9346 1.7224 1.1829 2.2930 2.6532 1.9020 1.7861 2.5358 1.9919 2.5322 2.8944 3.4534 4.4157 1.5465 1.3876 1.4197 1.4151 1.4704 1.9856 1.4469 1.4625 3.0164 1.3231 1.3360 1.4499 1.3425 1.3486 1.3582 1.3911 1.3608 1.3778 1.3893 1.3867 1.7215 1.4590 4.3195 3.2348 12.6873 8.8925 15.6638 9.1424 5.5545 5.5615 5.5940 5.6603 5.6641 5.6941 5.9195 6.1654 6.1724 6.1865 6.2172 6.2170 6.2294 6.2523 6.2812 6.3055 6.3741 6.4401 6.4094 6.4232 6.4151 6.4541 6.5261 6.6021 6.6260 0.4920 0.5414 2.4533 0.0787 0.3111 1.4895 0.5257 1.6441 0.9660 0.3758 0.4876 3.4599 1.2441 1.9323 0.0652 0.0183 0.9592 1.7744 2.3508 0.7408 3.6852 1.1705 0.9718 1.4086 1.4167 11.2532 4.4339 1.5139 1.6068 4.9043 6.6119 0.2363 1.7770 0.6207 1.2737 0.8358 2.8776 7.1672 8.8718 4.0861 14.0019 85.8351 22.8093 35.1454 13.5451 6.0944 0.8752 3.7134 11.1821 67.1781 1.6262 35.3171 11.1282 37.6504 21.7056 27.1816 22.4747 11.4692 79.0648 2.0190 3.4176 1.7590 0.1039 0.3565 0.0540 0.8564 8.0845 15.7697 7.5661 0.0403 0.8726 117.7846 22.0944 14.4801 119.0534 2.1761 105.4500 1.5265 10.5263 76.1501 5.5919 11.9878 28.6794 28.4404 9.0250 33.8221 33.8819 0.7931 1.0224 10.2720 20.7480 15.9137 23.5176 4.3274 1.3681 9.5341 9.9715 0.2575 0.0214 12.6689 0.9954 2.6052 7.9691 35.3588 0.5335 8.6673 12.0515 10.3867 34.0851 7.5878 1.1599 35.3334 440.6651 1.5849 813.2861 12.2407 54.3773 47.3842 36.8721 32.6223 25.1805 38.9828 17.5164 20.9486 25.1703 137.2128 18.6219 79.0936 95.5276 22.9004 6.0012 74.8132 29.4793 6.5741 11.7777 20.8243 10.9700 11.1450 21.6801 9.9935 0.1545 0.14 -0.03 -0.08 -0.06 -0.00 0.01 0.12 -0.02 -0.01 -0.01 -0.01 0.05 -0.12 0.01 0.09 -0.03 0.03 -0.09 0.02 -0.03 0.07 -0.04 0.04 -0.03 -0.06 -0.00 -0.12 0.04 0.06 -0.11 -0.05 0.00 -0.12 0.05 -0.00 0.03 0.07 -0.04 0.11 -0.01 -0.05 0.10 -0.07 0.16 0.06 -0.00 -0.08 -0.07 -0.02 0.02 0.05 -0.06 0.15 0.10 0.01 -0.09 -0.03 0.05 -0.02 0.00 -0.00 -0.02 0.06 -0.05 -0.00 0.01 0.04 -0.02 -0.02 -0.14 0.02 0.07 -0.06 0.00 -0.15 -0.08 -0.03 -0.10 -0.07 -0.01 -0.12 0.05 0.07 -0.09 0.08 0.09 -0.10 0.05 0.05 -0.17 -0.03 -0.02 -0.15 -0.04 0.01 -0.11 -0.09 -0.00 -0.11 0.03 0.03 0.02 0.07 -0.01 0.02 0.07 -0.02 0.02 0.12 -0.07 0.16 0.09 0.01 0.08 0.01 -0.09 0.11 -0.04 -0.07 0.12 -0.04 -0.03 0.08 0.02 -0.06 0.11 -0.10 0.26 0.10 0.02 -0.17 -0.14 -0.08 0.24 0.16 0.04 -0.19 -0.07 0.02 -0.08 0.05 0.03 0.01 0.11 -0.22 0.03 0.10 0.08 0.02 -0.02 0.01 0.03 0.01 0.04 0.03 -0.00 0.05 0.03 -0.01 0.09 0.01 -0.03 -0.05 -0.04 -0.01 -0.05 0.08 0.03 -0.03 -0.08 -0.01 -0.05 -0.07 -0.03 -0.12 -0.00 -0.04 -0.02 0.01 0.05 -0.15 -0.00 0.12 -0.09 0.23 -0.00 -0.04 0.08 0.02 -0.03 -0.04 0.01 -0.00 -0.14 -0.04 -0.01 -0.10 0.00 -0.02 -0.05 0.02 0.01 -0.14 -0.03 0.06 0.02 -0.02 -0.02 -0.06 0.04 0.08 0.01 -0.02 0.08 0.01 -0.02 0.11 0.01 -0.04 -0.07 -0.03 -0.02 -0.01 -0.09 -0.01 -0.08 -0.10 -0.06 -0.14 -0.03 -0.08 -0.13 0.03 -0.02 -0.14 0.03 -0.03 -0.04 0.04 0.06 -0.03 0.04 0.07 0.02 -0.01 0.07 -0.11 -0.09 0.15 -0.17 -0.01 0.14 -0.23 0.04 0.14 -0.15 0.27 0.05 -0.10 0.27 0.00 -0.03 0.27 -0.09 0.02 0.13 -0.04 -0.01 -0.01 0.05 -0.12 0.12 0.06 -0.04 -0.00 0.03 0.01 -0.17 -0.06 -0.03 -0.02 0.05 0.02 -0.18 -0.04 -0.03 -0.09 0.04 -0.05 -0.05 0.08 0.13 -0.00 -0.05 -0.00 -0.00 0.04 0.01 0.01 0.04 0.20 -0.09 -0.08 0.05 -0.01 -0.01 0.05 0.00 -0.00 -0.08 0.04 0.01 0.03 0.00 -0.00 -0.06 0.00 -0.02 -0.13 0.13 0.06 -0.08 -0.04 0.07 -0.05 0.07 -0.08 0.02 -0.03 -0.14 0.14 -0.02 0.08 -0.10 0.08 0.06 -0.01 -0.06 -0.06 -0.08 0.04 0.01 -0.03 -0.04 -0.03 0.00 -0.08 -0.06 -0.07 0.01 0.00 0.11 -0.04 -0.03 -0.04 -0.02 0.00 0.03 0.00 0.02 0.04 -0.01 0.01 0.05 0.00 0.01 -0.15 0.15 0.07 -0.13 0.19 0.02 -0.15 0.12 0.12 -0.12 -0.08 0.16 -0.02 -0.11 0.04 -0.11 0.00 0.08 -0.07 0.10 -0.06 -0.01 0.01 -0.12 -0.05 0.13 -0.13 -0.06 -0.01 -0.20 0.10 -0.08 -0.18 -0.00 -0.02 -0.14 0.14 -0.01 0.11 0.22 -0.05 0.04 0.12 -0.01 0.17 -0.07 0.13 0.14 -0.18 0.06 0.00 -0.14 0.10 0.07 0.02 -0.10 -0.08 -0.12 0.08 0.04 0.03 -0.12 -0.09 -0.09 0.04 0.02 -0.07 -0.01 0.02 -0.05 -0.02 0.00 0.05 0.01 0.01 -0.08 0.03 0.04 -0.03 -0.03 -0.03 0.04 -0.01 0.01 0.08 -0.06 -0.01 0.12 -0.09 -0.04 -0.06 0.08 0.01 0.09 -0.06 -0.00 -0.05 0.06 0.01 0.00 -0.03 -0.05 -0.15 0.19 -0.07 -0.06 0.12 0.17 0.09 -0.05 0.02 0.07 -0.05 -0.02 0.10 -0.08 -0.01 -0.06 0.09 0.03 -0.03 0.01 -0.01 -0.02 0.00 -0.01 -0.04 0.06 0.02 -0.01 -0.02 -0.02 0.04 -0.03 0.00 -0.00 -0.02 -0.02 0.02 -0.04 -0.01 -0.01 -0.01 0.01 0.10 -0.08 -0.04 -0.01 -0.02 -0.05 0.05 -0.11 0.01 0.00 -0.05 -0.16 -0.13 0.19 -0.20 -0.22 0.27 -0.03 -0.14 0.18 -0.06 -0.07 0.13 0.16 -0.09 0.21 0.24 0.00 0.03 0.25 0.10 -0.06 0.02 0.09 -0.03 0.02 0.10 -0.05 0.04 0.09 -0.06 -0.00 0.05 -0.01 -0.01 0.05 -0.07 -0.05 0.09 -0.08 -0.01 0.10 -0.08 -0.00 0.10 -0.08 0.00 -0.09 0.14 0.06 -0.02 -0.01 -0.03 -0.05 0.08 0.04 0.00 -0.05 -0.04 0.00 -0.03 -0.02 0.01 -0.02 -0.02 0.13 -0.11 -0.06 0.05 -0.02 0.01 0.05 0.01 0.04 0.01 -0.01 0.01 -0.06 0.04 0.05 -0.11 0.07 0.08 0.00 -0.02 -0.02 -0.01 0.01 0.02 0.03 -0.06 -0.07 0.08 -0.11 -0.07 -0.16 0.06 -0.09 0.04 0.05 0.17 0.03 0.05 -0.05 0.02 -0.06 0.05 -0.04 0.03 0.03 0.04 -0.11 -0.11 0.01 -0.00 -0.05 -0.01 -0.00 -0.07 0.02 -0.08 -0.11 -0.01 0.03 -0.05 -0.01 0.01 0.03 -0.03 0.03 -0.05 -0.01 0.02 0.04 0.01 0.01 0.03 -0.09 0.06 0.08 0.08 -0.10 -0.05 0.14 -0.18 -0.02 0.09 -0.12 -0.17 -0.18 0.02 -0.22 -0.23 0.11 -0.06 -0.19 0.10 -0.04 0.01 0.10 0.19 -0.01 0.14 0.22 0.15 -0.03 0.24 0.01 0.11 -0.07 0.05 0.02 -0.06 0.07 0.03 -0.09 0.08 -0.10 0.05 0.03 -0.04 0.03 -0.04 -0.11 0.07 -0.06 0.01 0.08 -0.06 0.08 0.01 -0.00 0.01 0.01 0.06 -0.16 -0.13 -0.00 0.03 -0.02 0.03 -0.12 -0.13 -0.03 0.08 -0.03 -0.07 0.08 -0.03 -0.04 0.01 -0.09 -0.14 0.09 0.10 0.11 -0.03 -0.04 0.02 0.01 0.01 -0.15 0.08 0.08 -0.01 0.02 0.01 -0.01 0.03 0.01 -0.08 0.05 0.03 0.06 -0.01 -0.03 -0.04 -0.01 0.00 -0.14 0.13 0.08 -0.12 -0.03 0.09 -0.04 0.10 -0.03 0.13 0.06 0.03 -0.02 -0.09 -0.10 0.16 -0.06 -0.09 -0.02 -0.04 -0.01 -0.03 -0.04 -0.01 -0.01 -0.07 -0.01 -0.00 -0.06 -0.02 -0.01 -0.07 -0.02 -0.05 0.04 0.03 -0.01 -0.05 0.01 0.03 0.01 -0.00 0.03 0.00 -0.01 -0.01 0.03 0.01 -0.17 0.19 0.12 -0.10 0.19 0.05 -0.18 0.09 0.12 -0.15 -0.07 0.13 -0.08 -0.08 0.06 -0.15 0.02 0.11 -0.07 0.14 0.00 -0.01 0.04 -0.07 -0.01 0.16 -0.08 0.17 0.11 0.06 0.07 0.11 0.05 0.20 0.03 0.00 0.04 -0.13 -0.15 -0.09 -0.08 -0.06 -0.06 -0.13 -0.12 0.10 -0.13 -0.11 0.22 0.03 -0.06 0.25 -0.11 -0.14 -0.02 -0.03 -0.01 -0.04 -0.04 -0.01 0.01 -0.07 -0.02 -0.01 -0.09 -0.02 -0.03 -0.07 0.02 -0.03 -0.04 0.04 -0.02 0.03 0.02 0.05 -0.02 -0.06 -0.07 0.01 0.01 0.09 -0.03 -0.05 0.04 -0.04 -0.03 -0.03 -0.01 -0.00 -0.00 0.02 -0.02 0.02 -0.02 -0.00 -0.01 0.02 0.02 -0.02 -0.02 -0.05 0.00 0.05 -0.05 0.00 0.03 -0.00 -0.02 -0.05 0.13 -0.05 0.08 -0.06 0.10 -0.08 -0.03 0.08 -0.09 -0.05 -0.11 0.15 0.12 -0.01 0.02 0.07 0.08 -0.09 -0.02 -0.10 0.14 0.14 0.05 -0.03 -0.04 0.01 -0.01 0.08 -0.06 0.01 -0.00 0.00 -0.01 -0.03 -0.08 0.01 0.01 -0.00 -0.05 -0.09 -0.07 -0.05 -0.03 -0.00 0.00 -0.04 0.02 0.06 -0.08 -0.03 0.07 -0.03 0.01 0.03 -0.05 -0.00 0.04 -0.06 0.04 0.08 0.03 -0.01 -0.01 0.03 0.07 -0.08 0.20 -0.11 -0.06 0.18 -0.06 -0.03 0.09 -0.04 0.08 0.01 -0.09 0.18 -0.05 -0.04 0.06 -0.18 0.10 -0.10 -0.11 0.16 -0.11 0.01 0.10 -0.08 -0.02 0.16 -0.19 -0.12 -0.18 0.24 0.18 0.15 -0.18 -0.07 -0.15 0.21 0.20 0.03 -0.05 0.07 0.02 0.01 0.12 -0.13 0.02 0.03 -0.03 0.07 -0.06 -0.05 0.01 -0.05 -0.10 0.10 0.04 -0.05 0.03 0.01 0.03 -0.03 -0.04 0.01 0.00 -0.04 -0.01 0.02 0.03 0.04 -0.05 0.02 -0.06 -0.04 -0.08 -0.01 0.04 -0.07 0.06 0.07 -0.04 0.05 0.06 -0.09 0.07 -0.07 0.10 -0.10 0.03 0.09 0.11 -0.08 0.01 -0.02 -0.04 0.07 0.06 -0.08 0.12 0.12 -0.09 0.06 0.00 -0.06 0.12 -0.07 0.06 0.01 0.07 -0.09 0.12 -0.00 -0.00 -0.07 -0.04 0.03 -0.04 0.05 -0.04 -0.08 -0.07 -0.01 -0.13 -0.07 -0.07 -0.06 -0.08 -0.06 -0.07 -0.05 -0.01 -0.06 0.05 0.06 -0.06 -0.04 0.10 -0.12 0.03 0.12 -0.08 0.11 0.10 -0.01 0.08 0.04 -0.01 -0.06 0.07 -0.17 0.16 0.12 -0.16 0.10 0.04 0.00 0.09 -0.08 0.07 0.13 -0.13 0.08 0.05 -0.07 0.21 -0.12 0.03 0.16 -0.18 0.03 0.04 -0.09 0.03 0.11 0.16 -0.09 -0.03 -0.07 -0.02 0.08 0.17 -0.11 0.06 -0.04 -0.06 0.15 0.13 -0.18 0.09 0.06 -0.05 0.22 0.10 -0.09 -0.11 0.15 -0.06 -0.03 0.03 -0.01 0.00 -0.12 0.04 0.08 0.00 0.01 0.02 0.11 -0.03 -0.03 -0.04 -0.01 0.01 -0.01 0.02 -0.00 -0.10 0.09 0.04 0.03 -0.09 -0.03 0.07 0.04 -0.03 -0.13 -0.13 0.03 -0.01 0.01 -0.08 0.03 -0.03 0.03 -0.07 0.07 0.02 -0.08 0.04 0.01 -0.12 0.15 0.07 -0.05 0.01 -0.04 -0.05 -0.00 -0.04 -0.09 0.11 0.02 -0.03 0.01 0.04 -0.02 -0.02 -0.04 0.07 -0.02 0.01 0.05 -0.02 0.01 0.12 -0.03 -0.02 0.09 -0.18 -0.08 -0.06 -0.13 -0.00 0.10 -0.00 -0.05 0.16 0.15 -0.06 0.00 0.08 -0.01 0.15 -0.07 -0.05 -0.07 -0.23 -0.06 -0.15 -0.06 0.07 -0.24 -0.20 0.08 -0.10 -0.03 -0.15 0.09 0.06 -0.15 -0.00 0.02 0.02 -0.06 0.01 -0.07 0.06 -0.18 0.04 0.09 0.05 0.14 -0.06 0.10 0.07 -0.11 0.08 -0.01 -0.09 0.08 0.01 -0.07 0.01 -0.00 -0.15 0.21 0.11 -0.04 -0.05 -0.07 -0.10 0.13 0.03 -0.05 -0.02 -0.03 0.00 -0.02 -0.05 0.19 -0.06 -0.05 -0.07 0.05 0.01 0.13 -0.03 -0.03 0.08 -0.01 -0.05 -0.07 0.06 0.02 -0.12 0.07 0.04 -0.05 0.01 0.03 -0.02 0.04 0.01 -0.07 0.05 0.08 -0.05 -0.04 -0.01 0.07 0.06 -0.01 -0.11 -0.07 0.00 0.03 0.09 0.02 -0.04 -0.01 -0.01 0.03 -0.01 -0.01 -0.03 0.02 0.06 -0.05 0.03 0.06 0.06 -0.12 -0.03 0.03 -0.08 -0.00 0.01 -0.06 0.01 0.02 0.02 -0.02 0.06 -0.11 -0.04 0.07 -0.02 -0.05 0.02 0.01 -0.03 -0.02 0.03 -0.01 -0.02 -0.08 -0.06 -0.11 -0.08 0.01 -0.02 -0.01 -0.01 0.15 0.16 -0.03 0.01 0.10 0.01 0.14 -0.05 -0.03 -0.06 -0.15 -0.13 -0.08 0.01 0.05 -0.24 -0.15 0.06 0.19 0.30 0.15 -0.15 -0.05 0.16 0.10 0.04 -0.26 0.16 -0.11 0.12 -0.07 0.23 -0.03 -0.19 -0.18 -0.11 0.03 -0.02 -0.06 0.06 -0.02 0.02 0.03 -0.00 0.00 -0.04 0.05 0.07 -0.08 0.06 0.09 0.05 -0.11 -0.02 0.01 -0.08 0.01 0.05 -0.11 -0.03 0.03 -0.10 -0.01 -0.04 0.04 0.00 -0.03 -0.00 -0.00 0.05 -0.00 0.02 -0.03 0.02 -0.01 0.04 -0.02 -0.04 -0.05 0.02 -0.00 -0.01 0.01 0.01 0.03 -0.01 -0.00 -0.01 0.01 0.01 -0.01 -0.00 -0.00 0.01 0.02 -0.00 -0.03 -0.01 0.00 0.01 -0.02 0.01 0.04 0.06 0.01 0.01 -0.04 0.02 -0.00 0.00 0.01 -0.01 -0.00 0.00 0.01 -0.03 -0.01 0.01 -0.02 -0.01 0.01 -0.02 -0.01 0.00 0.00 -0.02 0.01 -0.02 -0.00 -0.00 0.00 -0.01 0.01 -0.00 -0.02 -0.07 0.03 0.01 -0.01 -0.01 -0.01 -0.01 -0.01 0.00 -0.01 -0.00 -0.01 0.04 0.05 -0.01 -0.01 0.02 0.00 0.03 -0.02 0.00 -0.02 -0.03 -0.03 -0.02 0.01 0.02 -0.05 -0.03 0.02 -0.23 -0.33 -0.18 0.28 0.23 -0.20 -0.04 0.03 0.46 -0.20 0.19 -0.14 0.08 -0.21 0.03 0.24 0.27 0.12 -0.07 -0.12 0.08 -0.02 0.07 -0.01 0.13 -0.10 -0.01 -0.01 0.01 0.01 -0.01 0.00 0.01 0.02 -0.03 -0.01 0.01 -0.03 -0.01 -0.00 -0.01 0.01 -0.00 -0.02 -0.00 -0.14 0.07 0.05 0.04 0.15 -0.01 -0.04 -0.05 -0.07 0.06 -0.02 0.09 0.04 -0.03 0.08 -0.02 -0.01 0.12 -0.00 0.01 0.00 -0.02 -0.02 -0.04 0.00 -0.00 0.03 -0.04 -0.02 -0.02 0.03 0.03 -0.01 0.01 0.02 -0.01 -0.10 -0.11 -0.08 -0.07 -0.08 -0.09 0.03 0.14 -0.13 0.00 -0.01 0.03 0.01 -0.01 0.03 0.02 -0.03 -0.00 0.01 -0.03 0.01 0.02 -0.02 0.01 0.05 -0.02 0.09 0.01 -0.03 -0.05 0.00 -0.03 0.05 0.03 0.00 0.06 -0.04 -0.01 0.09 -0.04 -0.01 -0.05 -0.06 -0.03 -0.01 -0.04 -0.02 -0.01 0.02 0.02 0.00 0.06 0.04 -0.00 0.02 0.03 -0.05 0.00 0.02 -0.05 0.03 0.04 0.00 -0.02 -0.00 0.00 -0.14 -0.19 -0.10 -0.06 -0.13 -0.10 -0.19 -0.07 -0.03 -0.28 0.02 -0.33 -0.07 -0.41 -0.02 0.11 0.11 0.06 0.02 0.15 -0.06 0.06 0.27 -0.11 0.04 0.11 -0.28 -0.00 -0.01 0.03 0.01 -0.00 0.03 0.01 -0.04 -0.00 0.03 -0.02 0.00 0.04 -0.01 -0.07 -0.01 -0.03 -0.06 -0.10 -0.01 0.11 -0.01 0.24 -0.24 0.18 -0.03 0.29 -0.01 -0.00 0.02 -0.00 -0.06 -0.01 0.05 -0.08 -0.04 -0.00 -0.01 -0.02 -0.03 -0.08 -0.01 -0.02 0.03 -0.09 0.11 0.05 0.04 -0.07 -0.07 0.03 -0.05 -0.06 0.03 -0.07 -0.12 -0.00 -0.02 -0.10 -0.00 -0.06 -0.06 -0.00 0.00 0.06 -0.06 -0.04 0.01 -0.07 -0.01 0.04 0.03 0.01 0.07 -0.00 -0.05 0.01 -0.01 -0.02 -0.03 0.01 0.01 0.01 0.14 -0.06 -0.03 -0.02 -0.07 -0.03 -0.03 -0.00 -0.05 -0.05 0.12 0.03 0.13 0.17 0.08 0.01 0.13 0.06 0.01 -0.05 -0.04 -0.02 -0.18 -0.11 0.00 -0.06 -0.10 0.15 -0.02 -0.10 0.12 -0.13 -0.10 0.00 -0.02 -0.03 0.00 -0.00 -0.09 0.05 -0.14 -0.19 0.05 -0.10 -0.11 -0.10 0.10 -0.16 0.08 -0.03 0.03 -0.02 -0.12 -0.20 -0.05 0.00 -0.00 -0.03 -0.06 -0.15 0.00 -0.14 -0.02 0.04 0.02 0.08 -0.08 -0.05 -0.00 -0.09 0.04 0.09 0.02 -0.08 -0.01 0.02 -0.10 0.02 0.21 0.08 0.00 0.10 0.03 -0.09 -0.08 -0.01 -0.01 0.03 -0.07 0.01 -0.04 0.01 0.00 0.00 -0.00 0.01 0.02 -0.02 0.01 0.02 -0.01 0.02 -0.02 -0.00 0.01 0.00 -0.03 0.05 -0.10 0.15 0.08 0.05 -0.05 -0.04 0.03 -0.08 -0.08 0.04 -0.00 0.01 -0.00 -0.01 0.00 -0.01 0.01 0.03 -0.01 0.04 0.05 -0.09 -0.05 0.01 -0.08 0.03 -0.03 0.02 0.08 0.02 -0.03 -0.03 -0.04 -0.02 0.01 0.01 0.01 0.08 -0.10 0.12 0.01 0.00 -0.00 0.01 0.01 0.00 -0.01 0.00 0.01 0.14 0.08 0.19 0.25 0.12 0.02 0.16 0.08 -0.02 0.09 0.12 -0.09 -0.32 -0.07 -0.00 0.06 -0.21 0.23 -0.03 -0.16 0.01 -0.13 -0.03 0.06 -0.14 -0.13 0.07 0.00 0.02 -0.00 -0.01 0.01 0.00 0.00 0.01 -0.02 -0.07 0.03 -0.06 -0.00 -0.08 0.01 0.04 0.06 0.03 -0.00 0.02 0.00 0.02 0.07 -0.01 0.03 0.02 -0.04 0.07 0.08 -0.12 -0.08 -0.00 -0.10 0.14 0.01 -0.01 -0.06 -0.10 0.00 0.10 -0.31 0.12 0.16 -0.02 0.31 -0.02 0.01 0.02 0.01 0.01 0.01 0.00 -0.01 -0.02 0.04 -0.01 0.00 -0.03 0.01 0.02 -0.01 0.01 0.01 0.00 -0.02 -0.01 -0.02 0.01 -0.01 -0.00 -0.00 -0.01 0.02 -0.01 -0.00 -0.03 -0.03 0.00 0.00 -0.01 -0.00 -0.01 0.02 -0.01 -0.04 -0.02 -0.03 0.00 -0.01 -0.02 -0.00 0.02 0.00 -0.02 0.02 0.01 0.00 0.01 0.01 -0.01 0.02 0.02 -0.02 0.02 0.02 0.01 -0.00 0.01 0.02 -0.02 0.00 0.03 -0.01 0.00 0.02 0.00 0.01 0.03 -0.01 0.00 0.04 -0.05 -0.01 -0.03 -0.00 -0.01 0.04 0.03 0.02 -0.11 -0.13 0.05 0.08 -0.04 -0.00 -0.10 0.08 -0.04 -0.00 -0.00 0.13 -0.06 -0.11 -0.07 0.08 0.08 -0.08 -0.24 -0.23 -0.20 0.25 0.25 -0.21 -0.03 0.05 0.38 0.22 -0.15 0.16 -0.10 0.32 -0.06 -0.26 -0.25 -0.20 -0.03 -0.05 -0.01 0.01 0.02 -0.02 0.04 -0.03 -0.03 -0.00 0.02 0.00 -0.02 0.02 0.01 -0.01 0.03 0.02 -0.02 0.02 0.02 0.03 -0.04 0.00 0.04 -0.01 0.02 0.05 -0.01 -0.01 -0.01 -0.00 0.00 0.03 -0.02 -0.02 0.00 -0.00 -0.01 -0.00 0.01 -0.00 -0.02 0.01 0.01 -0.00 -0.03 -0.02 0.01 0.01 0.01 -0.01 -0.00 -0.02 0.02 -0.03 -0.01 -0.06 -0.04 -0.00 0.01 -0.01 0.00 0.02 0.02 0.02 0.01 0.01 0.01 0.02 0.01 0.00 -0.01 0.03 0.01 -0.03 0.03 0.01 0.00 0.01 0.01 -0.01 0.04 0.03 -0.03 0.03 0.02 0.01 0.00 -0.01 0.03 -0.03 0.01 0.02 -0.01 -0.02 0.01 -0.01 -0.01 -0.00 -0.00 -0.01 0.09 -0.13 -0.06 -0.09 -0.03 -0.02 0.09 0.06 0.03 -0.25 -0.28 0.14 0.23 -0.08 -0.00 -0.22 0.20 -0.13 -0.01 0.03 0.31 -0.13 -0.23 -0.14 0.19 0.19 -0.15 0.11 0.13 0.09 -0.09 -0.06 0.10 0.04 0.00 -0.14 -0.18 0.11 -0.15 0.03 -0.23 0.04 0.16 0.18 0.12 -0.01 -0.01 0.02 0.02 0.06 -0.00 0.05 -0.01 -0.02 -0.01 0.05 0.01 -0.05 0.05 0.02 -0.02 0.06 0.04 -0.04 0.03 0.03 0.04 -0.08 0.01 0.07 -0.02 0.04 -0.01 0.00 -0.00 -0.00 0.01 0.01 0.00 -0.03 -0.02 -0.11 0.05 0.07 0.12 -0.05 -0.05 -0.01 -0.00 0.01 -0.01 0.00 0.00 0.06 -0.01 -0.04 -0.01 0.01 0.00 0.01 -0.00 0.00 -0.00 0.01 0.00 -0.02 -0.02 0.00 0.00 -0.08 -0.07 0.10 0.11 -0.02 -0.03 0.03 0.01 0.00 0.01 0.00 -0.01 0.01 0.00 0.02 -0.02 -0.01 0.02 -0.01 -0.01 0.01 -0.02 -0.00 -0.00 0.00 0.02 0.03 -0.03 -0.01 -0.04 -0.00 0.03 0.00 -0.00 0.01 -0.11 0.04 0.06 0.05 -0.06 -0.02 -0.05 -0.00 -0.00 0.05 0.05 0.02 -0.08 -0.08 0.07 0.12 0.00 0.01 -0.06 0.10 -0.07 -0.02 -0.03 0.12 -0.09 -0.11 -0.06 0.02 0.06 -0.06 0.06 -0.02 -0.02 -0.06 -0.20 -0.01 -0.04 -0.07 -0.21 0.29 0.02 0.26 0.08 0.47 -0.08 -0.06 -0.07 -0.22 0.12 0.18 -0.04 -0.05 -0.18 -0.00 -0.22 0.14 0.11 0.00 0.02 0.00 -0.02 0.01 0.01 0.03 -0.02 -0.01 0.00 -0.03 -0.00 0.03 -0.05 -0.01 0.03 -0.02 0.02 -0.23 0.09 0.12 -0.01 -0.02 0.01 -0.02 0.11 0.01 0.00 0.04 -0.01 -0.00 -0.01 -0.00 0.01 0.01 -0.00 0.00 0.04 0.02 -0.02 -0.05 0.01 -0.02 0.04 0.01 0.03 0.01 0.00 0.10 0.08 0.00 -0.03 0.00 0.04 -0.08 -0.10 0.07 -0.00 -0.14 0.03 -0.01 -0.02 -0.00 -0.00 -0.01 -0.03 0.00 -0.01 -0.02 0.01 -0.06 -0.04 0.03 -0.07 -0.06 0.02 -0.06 -0.05 0.00 0.02 -0.03 -0.03 0.00 0.03 0.02 0.06 -0.02 0.01 0.03 -0.03 0.01 0.02 -0.00 0.14 -0.14 -0.07 -0.14 0.01 0.00 0.14 0.15 0.07 -0.01 -0.04 0.17 0.39 0.09 0.03 0.02 0.21 -0.22 -0.02 -0.01 0.31 -0.19 -0.18 -0.08 0.09 0.17 -0.09 -0.04 -0.19 0.09 -0.10 -0.10 0.08 -0.16 -0.06 0.10 0.08 -0.18 -0.00 0.01 -0.14 0.02 -0.07 -0.19 0.09 0.01 0.00 -0.00 0.01 -0.01 0.00 -0.03 -0.01 -0.03 -0.02 0.00 -0.01 -0.01 -0.01 -0.02 0.06 -0.10 -0.08 0.03 -0.07 -0.06 -0.05 -0.03 0.04 -0.07 0.02 0.09 0.01 0.01 -0.01 0.02 0.03 -0.02 -0.07 -0.07 0.06 0.03 -0.08 -0.00 -0.04 0.02 0.02 0.02 -0.03 -0.02 0.02 0.04 0.02 -0.00 0.05 -0.00 -0.01 0.03 0.01 0.05 0.03 0.01 0.13 0.08 -0.00 0.01 0.04 0.04 0.08 0.13 -0.06 -0.03 0.12 -0.03 0.00 -0.01 0.00 -0.02 -0.02 -0.03 0.00 -0.03 -0.02 -0.02 -0.06 -0.04 0.01 -0.07 -0.06 0.01 -0.06 -0.04 -0.02 -0.02 0.04 -0.05 -0.04 0.01 -0.07 -0.04 0.05 -0.06 -0.02 0.06 0.01 -0.03 -0.00 0.12 -0.08 -0.04 -0.08 0.03 0.00 0.12 0.12 0.06 0.15 0.12 0.05 0.21 0.12 0.02 0.16 0.05 -0.11 -0.00 0.07 0.37 -0.15 -0.19 -0.11 0.20 0.25 -0.13 0.01 0.21 -0.11 0.14 0.18 -0.10 0.19 0.08 -0.03 -0.13 0.18 -0.02 -0.06 0.11 -0.02 0.04 0.19 -0.09 -0.03 -0.06 -0.00 -0.00 0.00 0.00 0.06 -0.03 0.03 -0.04 -0.02 -0.01 -0.01 -0.04 -0.03 0.04 -0.09 -0.08 0.02 -0.06 -0.06 -0.08 -0.02 0.03 -0.05 -0.05 -0.01 0.07 -0.04 -0.02 0.00 0.00 -0.01 -0.01 -0.01 0.01 0.01 -0.01 -0.00 -0.01 0.00 0.00 0.01 -0.01 -0.01 -0.01 0.01 0.01 0.00 0.01 -0.00 -0.00 0.01 -0.01 -0.01 0.01 0.01 0.00 -0.00 0.02 -0.04 -0.03 0.03 0.01 0.02 -0.00 -0.01 0.02 -0.01 0.00 0.00 -0.00 0.02 0.01 -0.02 0.01 -0.00 -0.02 0.01 0.01 -0.01 0.02 0.00 -0.02 0.01 -0.01 -0.02 -0.01 0.00 0.01 0.02 0.01 0.01 -0.03 0.00 0.01 -0.03 0.01 0.02 0.00 -0.01 -0.00 -0.00 -0.00 -0.01 -0.02 0.00 0.01 -0.00 0.01 0.01 -0.22 -0.27 0.25 0.42 -0.04 0.03 -0.18 0.28 -0.21 0.00 -0.09 -0.33 0.10 0.26 0.21 -0.25 -0.29 0.24 0.00 0.02 -0.01 0.02 0.03 -0.01 0.03 0.01 0.01 -0.02 0.02 -0.01 -0.01 0.02 -0.00 0.00 0.03 -0.02 -0.01 -0.01 0.00 0.00 0.01 -0.00 0.02 -0.01 -0.00 0.02 0.00 -0.03 0.02 -0.01 -0.03 0.03 -0.01 -0.02 0.02 -0.02 -0.02 0.01 -0.01 0.02 0.03 0.01 0.03 0.02 -0.01 -0.01 -0.01 0.06 0.03 -0.04 0.00 0.03 -0.10 -0.00 0.02 0.02 -0.02 -0.04 -0.09 0.04 0.03 0.04 -0.01 -0.00 -0.02 -0.01 -0.01 -0.01 0.00 -0.03 0.02 0.00 -0.00 0.13 -0.04 0.03 0.13 0.11 0.06 0.01 0.01 -0.02 -0.02 -0.00 -0.01 -0.05 -0.06 0.02 -0.06 0.01 -0.04 -0.06 0.02 -0.01 -0.09 -0.00 -0.03 -0.09 0.04 -0.03 -0.08 0.02 -0.02 0.08 -0.05 -0.05 -0.05 -0.09 0.05 0.17 -0.06 -0.05 0.23 -0.09 -0.09 0.02 0.00 0.01 -0.03 0.09 0.02 0.11 -0.01 0.01 -0.04 -0.08 -0.05 0.10 -0.06 0.17 0.27 -0.09 0.01 0.12 -0.02 -0.06 0.06 0.22 -0.15 0.27 0.33 0.20 0.15 -0.08 0.22 0.04 0.08 0.00 -0.03 -0.02 0.01 0.04 -0.01 -0.09 0.01 -0.02 0.02 -0.04 0.04 -0.01 -0.04 -0.03 -0.04 -0.09 -0.11 0.05 -0.08 -0.04 -0.00 0.01 -0.08 0.05 -0.06 -0.02 -0.04 -0.08 0.03 -0.01 -0.09 0.06 -0.02 -0.06 0.03 -0.03 -0.09 -0.20 0.08 0.04 -0.04 0.14 -0.08 0.07 0.07 -0.08 -0.11 -0.08 0.02 -0.04 0.04 0.08 0.11 0.07 0.03 0.01 0.06 0.01 -0.04 0.04 0.02 -0.01 -0.00 0.04 0.06 0.02 -0.01 -0.00 -0.02 -0.00 -0.01 -0.01 0.08 -0.03 0.02 0.08 0.07 0.04 -0.01 0.02 0.05 0.04 -0.01 0.03 0.10 0.26 -0.06 -0.04 0.01 -0.02 -0.04 0.01 -0.01 -0.04 -0.01 -0.02 -0.05 0.02 -0.02 -0.05 0.01 -0.02 0.01 0.02 0.03 -0.01 -0.07 0.03 -0.06 -0.02 -0.06 -0.06 -0.01 -0.06 -0.05 -0.04 -0.04 -0.04 0.05 -0.00 0.06 -0.03 0.01 -0.05 -0.07 -0.04 0.11 0.02 0.08 0.09 -0.06 0.01 0.11 -0.08 0.01 0.03 0.15 -0.01 0.13 0.15 0.09 0.14 0.01 0.10 -0.04 -0.10 0.02 0.04 0.08 0.01 -0.06 0.05 0.17 0.17 -0.08 0.07 0.05 0.07 0.01 -0.05 -0.10 0.03 0.19 0.36 -0.04 0.18 0.32 -0.01 -0.00 0.28 -0.23 -0.05 0.00 -0.01 -0.04 0.01 -0.01 -0.05 0.03 -0.01 -0.04 0.01 -0.02 -0.04 -0.15 0.05 0.06 -0.04 0.09 -0.07 -0.09 -0.06 -0.06 -0.03 -0.04 -0.05 -0.00 0.05 -0.02 0.03 0.07 0.04 -0.03 0.02 -0.03 -0.02 0.05 -0.00 0.03 -0.00 -0.00 0.02 0.02 0.03 -0.00 0.02 0.07 0.07 0.03 -0.07 0.09 -0.05 -0.09 -0.08 -0.07 0.04 0.06 -0.00 -0.04 0.01 -0.01 -0.01 0.08 0.01 0.05 -0.05 0.01 0.05 -0.02 0.02 0.00 0.02 0.05 0.03 -0.03 0.03 0.05 -0.01 0.04 0.09 -0.06 -0.02 -0.07 0.11 -0.04 0.07 -0.05 -0.05 0.16 -0.11 -0.11 -0.00 -0.04 -0.01 0.12 -0.02 0.09 0.03 0.13 -0.01 0.14 0.16 0.06 -0.13 0.00 -0.12 -0.04 0.16 -0.01 -0.13 0.18 -0.09 -0.01 -0.21 -0.08 -0.12 -0.14 -0.11 -0.22 -0.04 -0.11 0.04 0.14 0.00 0.02 0.07 0.00 0.10 0.03 -0.04 -0.00 -0.02 -0.01 -0.09 0.06 0.01 -0.07 -0.03 -0.06 -0.11 -0.00 0.15 -0.05 0.30 -0.03 0.13 -0.00 -0.11 0.07 -0.07 -0.01 0.06 -0.03 0.02 0.05 -0.04 0.03 0.05 -0.01 0.04 -0.05 0.33 -0.05 -0.16 0.02 -0.24 -0.08 -0.03 0.02 0.02 0.01 0.01 0.00 -0.02 -0.00 -0.02 -0.03 -0.04 -0.01 0.02 -0.02 -0.01 0.02 -0.02 0.02 0.01 -0.01 0.01 0.01 -0.00 -0.01 0.01 0.02 0.13 0.04 0.01 -0.01 0.03 -0.03 0.02 0.01 -0.07 -0.02 -0.01 0.04 0.03 -0.02 0.02 0.02 0.02 -0.01 -0.03 0.01 0.03 -0.04 0.00 0.04 -0.02 -0.07 0.01 -0.02 -0.04 0.02 -0.02 -0.03 0.04 -0.02 0.01 -0.01 -0.05 -0.02 -0.04 -0.01 0.00 0.01 -0.02 0.01 0.02 0.00 0.02 -0.01 -0.06 0.33 0.31 0.63 0.02 0.04 -0.04 -0.22 -0.29 -0.10 -0.09 0.02 0.13 0.04 -0.01 -0.09 0.15 -0.10 0.02 0.01 -0.08 0.05 -0.03 -0.09 -0.01 0.04 -0.10 -0.01 -0.07 0.04 -0.02 -0.00 0.04 -0.06 0.01 0.07 0.06 -0.03 0.02 0.06 -0.03 0.01 0.01 -0.03 0.06 0.05 0.05 -0.03 0.04 -0.01 0.01 -0.02 0.04 -0.01 -0.05 0.03 0.04 -0.05 0.00 0.04 0.00 -0.04 0.02 -0.03 -0.01 0.05 -0.04 0.07 -0.05 -0.12 -0.06 -0.10 0.02 0.03 -0.01 0.01 0.01 0.00 -0.00 -0.01 -0.00 -0.03 -0.02 -0.02 0.01 0.00 -0.02 0.01 0.00 -0.02 -0.00 -0.00 0.00 0.01 0.01 -0.00 -0.00 0.00 0.00 -0.01 -0.01 -0.00 0.01 -0.01 0.01 0.00 0.00 0.00 -0.02 -0.03 0.03 0.03 0.02 0.01 -0.01 0.03 0.01 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.01 0.00 0.00 -0.01 0.00 0.00 -0.01 -0.01 0.00 -0.01 0.01 -0.01 0.00 -0.01 0.00 0.01 -0.02 0.01 0.02 0.00 0.01 -0.00 -0.02 0.00 -0.01 -0.00 -0.03 0.01 -0.03 -0.03 -0.02 0.02 0.01 0.01 -0.01 -0.01 0.00 0.02 -0.03 0.02 -0.00 0.01 0.02 -0.00 -0.01 -0.00 0.01 0.01 -0.00 0.05 -0.00 0.09 -0.10 -0.09 0.08 -0.06 -0.02 -0.07 0.13 -0.03 0.09 0.03 0.14 -0.01 -0.05 -0.07 -0.04 -0.33 -0.25 0.33 -0.11 0.56 -0.10 0.43 -0.20 -0.22 -0.00 0.00 0.00 0.01 -0.00 -0.01 -0.00 -0.00 -0.01 0.00 0.01 -0.01 0.01 -0.03 0.01 0.03 -0.00 0.02 0.01 0.02 -0.00 -0.02 -0.04 -0.01 0.03 0.06 -0.01 0.10 0.12 0.08 0.02 -0.04 0.05 0.03 -0.04 0.05 -0.00 -0.00 0.01 -0.02 -0.05 -0.01 -0.01 0.01 0.01 -0.00 -0.03 -0.01 0.02 -0.00 0.01 -0.00 -0.00 -0.01 0.02 -0.02 -0.10 -0.08 0.05 -0.07 -0.07 -0.10 0.01 -0.01 0.01 0.01 -0.01 0.01 0.00 0.01 -0.01 -0.02 0.00 -0.01 -0.02 -0.01 0.01 -0.00 0.01 0.02 0.04 0.01 -0.00 0.02 -0.01 0.03 -0.02 -0.03 0.03 -0.02 -0.01 -0.03 0.01 -0.19 0.27 0.15 0.39 -0.09 0.05 -0.19 -0.29 -0.24 -0.02 -0.04 0.07 0.10 -0.01 0.01 -0.01 0.04 -0.04 -0.01 0.01 0.08 -0.03 -0.08 -0.06 0.04 0.07 -0.07 0.02 0.14 -0.10 0.01 -0.07 -0.08 0.10 -0.06 -0.22 -0.17 0.10 -0.04 -0.12 0.08 -0.04 0.01 0.11 -0.17 -0.19 -0.21 0.11 -0.14 0.02 -0.04 0.10 -0.17 0.02 -0.02 0.02 0.02 0.01 -0.00 -0.00 0.01 -0.03 -0.03 -0.01 0.02 -0.00 0.00 -0.05 0.02 0.01 0.02 0.08 -0.03 -0.08 -0.00 0.01 -0.01 0.01 0.03 0.01 -0.01 0.04 0.05 0.02 -0.00 -0.01 0.01 0.01 -0.01 0.01 0.03 0.00 -0.02 -0.01 -0.02 -0.01 -0.00 -0.01 -0.00 0.12 0.05 0.01 -0.03 -0.01 -0.02 0.07 0.05 -0.04 -0.01 -0.03 -0.04 -0.01 0.02 -0.02 -0.02 -0.04 -0.00 -0.03 0.01 0.01 -0.05 0.00 0.04 -0.02 -0.08 0.01 -0.04 -0.00 0.04 -0.02 -0.06 0.03 -0.02 0.03 0.02 -0.06 -0.03 -0.04 -0.01 0.02 -0.01 -0.05 0.04 0.01 -0.00 -0.01 0.00 0.34 -0.30 -0.07 -0.25 0.13 -0.06 0.36 0.37 0.20 -0.03 -0.01 -0.07 -0.10 -0.02 -0.03 -0.03 -0.01 0.05 0.04 0.08 -0.27 0.22 0.19 0.05 -0.02 -0.08 0.06 0.00 0.01 -0.03 -0.02 -0.07 -0.02 -0.01 -0.03 -0.09 -0.04 0.04 0.01 -0.01 0.04 -0.02 0.02 0.04 -0.05 -0.09 -0.11 0.05 -0.04 0.03 -0.02 0.08 -0.09 -0.01 -0.04 0.02 0.02 -0.10 0.05 0.06 -0.04 0.04 0.08 -0.02 -0.06 0.03 -0.05 0.05 -0.04 -0.14 -0.05 -0.08 0.01 -0.02 -0.01 0.01 -0.01 0.00 0.03 -0.02 -0.03 0.00 0.01 0.00 -0.01 0.00 0.00 -0.01 0.00 0.00 -0.02 0.01 -0.06 -0.00 -0.00 -0.00 -0.02 0.01 -0.09 -0.04 0.05 -0.03 0.09 -0.06 0.00 -0.05 0.01 0.13 -0.01 -0.01 -0.01 0.01 0.01 0.00 0.01 -0.01 -0.01 0.06 0.00 -0.08 -0.08 -0.02 -0.04 0.01 -0.02 0.12 0.05 0.03 0.10 -0.04 -0.07 0.08 -0.00 0.01 0.00 -0.06 0.09 -0.07 0.01 -0.00 -0.01 -0.00 0.01 0.00 0.01 -0.01 -0.00 -0.09 0.13 -0.00 0.02 0.08 -0.05 -0.10 -0.01 -0.02 0.13 -0.00 0.16 0.17 -0.14 -0.04 0.14 -0.13 -0.04 -0.05 0.02 0.29 -0.21 0.07 0.17 0.12 -0.04 0.18 -0.01 -0.00 -0.01 -0.01 -0.03 -0.01 -0.02 -0.01 -0.03 0.01 0.01 0.03 0.02 0.03 -0.01 0.00 0.01 0.00 -0.01 -0.03 -0.01 0.01 0.01 -0.00 0.04 -0.03 -0.02 0.13 0.02 -0.14 -0.17 -0.03 -0.06 0.11 0.09 0.16 -0.08 -0.14 0.12 0.02 0.38 -0.13 -0.24 -0.03 -0.32 0.01 -0.01 -0.01 -0.01 -0.00 -0.02 -0.03 0.04 0.01 -0.03 -0.06 -0.00 0.03 -0.02 -0.01 0.04 -0.01 -0.00 -0.03 0.05 0.01 0.01 0.00 0.01 -0.04 0.09 0.01 0.04 -0.13 -0.10 -0.04 -0.10 0.13 0.00 0.08 -0.05 0.04 0.04 0.04 -0.05 -0.03 -0.03 -0.04 0.04 0.03 0.00 0.09 0.01 -0.03 0.05 0.00 0.07 -0.06 -0.01 0.08 -0.03 -0.01 0.05 -0.06 -0.01 0.02 -0.04 -0.00 -0.00 0.05 -0.04 -0.03 0.01 0.03 0.02 -0.03 -0.01 -0.02 0.01 0.03 0.09 -0.20 -0.20 0.02 -0.34 0.05 0.10 -0.10 -0.28 -0.02 -0.07 0.23 -0.10 -0.28 0.03 -0.02 -0.14 0.30 -0.03 0.14 -0.11 0.10 0.07 -0.06 -0.01 0.10 -0.06 0.04 0.05 0.04 0.04 0.11 0.03 0.10 0.02 0.08 -0.03 -0.04 -0.08 -0.11 -0.03 0.01 -0.06 -0.05 -0.06 -0.01 0.09 0.08 -0.08 0.03 0.00 -0.08 0.06 0.03 0.01 0.13 0.01 -0.07 0.07 0.01 0.12 -0.04 -0.01 0.04 -0.10 -0.02 0.00 0.19 -0.04 -0.13 0.01 -0.12 -0.04 0.02 0.03 -0.04 -0.02 -0.08 -0.01 0.09 -0.02 -0.07 -0.14 0.02 -0.08 0.02 0.09 -0.05 0.04 0.10 -0.01 0.01 0.01 -0.00 0.00 0.06 -0.01 0.02 0.01 0.01 -0.03 -0.01 -0.02 -0.01 0.02 -0.00 0.01 -0.02 -0.04 -0.09 -0.13 0.06 0.12 0.11 0.18 -0.04 -0.03 -0.00 0.01 0.01 0.00 0.01 0.00 0.01 -0.00 -0.01 0.01 -0.01 -0.01 0.01 -0.00 -0.01 -0.05 -0.05 0.06 -0.01 0.03 0.01 0.10 -0.01 -0.02 -0.02 -0.04 0.01 0.10 -0.02 0.00 0.01 -0.04 -0.03 0.01 -0.06 0.01 0.02 -0.02 -0.05 -0.02 -0.02 0.03 -0.01 -0.04 0.01 -0.02 0.00 0.04 -0.01 0.02 -0.03 0.02 0.00 -0.02 -0.02 0.02 -0.02 -0.15 -0.05 -0.21 0.09 -0.28 -0.18 -0.14 -0.05 -0.22 0.02 0.16 0.27 0.14 0.23 0.05 0.09 0.15 0.06 0.16 -0.10 -0.20 0.36 0.00 0.10 0.23 -0.07 -0.11 -0.00 0.02 0.01 0.00 0.01 0.00 0.02 -0.02 -0.01 0.01 -0.00 -0.00 -0.01 0.02 0.01 -0.04 0.03 0.03 0.14 -0.08 -0.03 0.03 0.01 0.07 -0.07 -0.12 0.08 0.07 0.20 0.02 -0.08 0.05 -0.01 -0.08 0.01 -0.04 -0.02 0.05 0.03 -0.06 0.02 -0.05 -0.00 0.05 0.02 0.01 -0.08 -0.05 -0.03 -0.01 0.09 -0.04 0.03 -0.04 -0.12 -0.02 -0.05 0.10 0.02 0.06 0.05 -0.10 -0.11 0.02 0.02 -0.01 0.04 -0.00 -0.02 0.01 0.03 0.01 0.04 -0.02 -0.03 0.04 0.00 -0.01 0.01 0.08 -0.03 -0.01 0.03 -0.00 0.01 -0.06 -0.03 0.06 0.02 -0.03 0.02 -0.04 -0.07 0.05 -0.13 -0.13 -0.00 -0.23 0.05 0.05 -0.06 -0.18 -0.03 -0.01 0.14 -0.04 -0.10 0.04 -0.03 -0.01 0.16 -0.03 0.02 -0.07 0.00 -0.02 -0.08 -0.10 0.08 -0.09 -0.08 -0.05 -0.02 -0.15 -0.08 -0.01 -0.19 0.02 -0.09 0.11 0.03 0.17 0.30 0.01 -0.04 0.09 0.04 0.22 0.01 -0.19 -0.28 0.18 -0.12 -0.02 0.13 -0.13 -0.09 0.04 -0.00 -0.02 0.06 -0.04 -0.04 0.08 -0.06 -0.05 0.05 -0.01 -0.02 -0.03 0.15 0.00 0.00 -0.02 -0.15 0.07 -0.02 -0.08 0.00 -0.00 -0.00 -0.01 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.02 -0.02 -0.04 -0.00 0.00 -0.00 -0.00 0.01 -0.01 -0.01 0.04 -0.01 -0.01 -0.05 -0.03 0.03 -0.01 0.04 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.10 0.17 0.10 0.07 -0.12 -0.08 0.01 -0.03 0.01 0.10 -0.15 -0.08 -0.09 0.14 0.12 0.01 -0.00 -0.00 -0.01 0.01 -0.02 0.01 -0.00 -0.00 0.01 -0.00 -0.00 0.00 0.00 0.00 0.01 0.01 -0.02 -0.09 0.11 -0.06 -0.00 0.07 0.10 -0.00 -0.04 -0.04 -0.03 -0.06 -0.04 -0.00 -0.06 0.00 0.02 0.01 0.04 -0.01 0.06 0.08 0.07 -0.07 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 -0.01 -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 -0.20 0.36 0.21 0.16 -0.29 -0.20 0.23 -0.33 -0.19 -0.19 0.31 0.23 -0.01 0.07 -0.02 -0.04 -0.02 -0.07 -0.00 0.00 0.00 -0.02 -0.00 -0.02 -0.06 0.02 0.05 0.02 0.02 0.05 -0.00 -0.00 -0.01 0.05 0.01 -0.01 0.08 -0.08 -0.06 -0.06 0.02 -0.04 0.03 0.03 0.00 -0.09 0.05 0.01 -0.04 -0.06 -0.10 0.09 -0.09 0.06 -0.05 0.07 0.01 0.05 -0.00 0.05 -0.02 -0.05 -0.07 -0.01 0.09 0.03 -0.04 0.15 0.08 0.10 -0.13 -0.09 0.03 0.02 -0.01 0.08 -0.05 -0.05 0.02 -0.03 0.01 0.02 -0.03 -0.05 -0.03 0.01 0.05 0.03 -0.04 -0.00 -0.00 0.03 0.03 -0.19 0.22 0.03 -0.06 0.19 -0.09 -0.22 -0.07 0.19 -0.08 -0.12 -0.22 -0.11 -0.02 -0.08 -0.09 -0.00 -0.03 0.08 -0.08 0.14 -0.02 -0.03 0.10 0.18 -0.14 0.11 -0.01 0.07 0.04 -0.10 0.12 0.03 -0.01 0.05 0.03 0.08 -0.02 0.09 0.18 -0.03 -0.02 0.02 -0.01 0.18 -0.06 -0.11 -0.14 0.04 -0.04 -0.04 0.05 -0.08 -0.06 -0.06 0.15 0.08 -0.13 0.27 0.16 -0.01 0.10 0.04 0.10 -0.06 -0.06 -0.02 0.06 -0.03 -0.10 -0.04 -0.07 0.00 0.05 0.04 -0.04 -0.02 -0.07 0.01 0.01 -0.05 0.05 -0.03 0.10 -0.00 -0.01 0.00 0.01 0.08 0.06 -0.03 0.02 0.01 -0.04 -0.01 -0.15 -0.01 -0.02 -0.00 0.03 -0.01 -0.00 0.02 0.02 0.03 -0.03 0.03 -0.02 -0.02 0.08 0.11 0.16 0.01 -0.04 -0.14 -0.07 -0.12 0.00 -0.04 -0.01 0.01 -0.05 -0.02 -0.03 0.05 0.03 -0.02 -0.00 0.01 -0.03 0.02 0.02 -0.02 -0.07 0.08 0.00 0.00 0.01 0.08 -0.00 0.05 -0.05 -0.06 0.06 0.08 0.06 0.06 0.07 -0.07 0.01 0.03 -0.05 0.02 0.08 0.03 -0.06 0.03 0.05 0.07 0.04 0.01 0.02 0.04 -0.01 -0.00 -0.03 0.03 -0.04 -0.00 0.02 -0.03 -0.06 0.05 -0.03 0.15 -0.03 0.25 -0.21 0.31 0.19 0.04 0.06 0.23 0.16 0.02 0.09 0.37 0.00 -0.16 0.14 0.03 0.12 -0.15 -0.07 -0.08 -0.22 -0.12 -0.18 -0.13 -0.06 -0.02 0.02 -0.06 -0.03 0.05 -0.09 -0.05 -0.02 -0.03 -0.01 -0.04 0.02 0.02 0.03 -0.05 -0.00 0.05 0.02 0.05 0.08 0.08 0.07 -0.01 0.01 0.01 0.06 0.02 -0.05 -0.03 -0.02 0.02 0.06 -0.05 -0.03 0.15 -0.09 -0.06 -0.05 0.01 0.00 -0.13 0.06 0.04 -0.03 -0.03 0.01 0.05 0.00 0.00 0.02 0.01 0.00 -0.03 0.05 -0.01 -0.10 0.14 -0.05 -0.05 -0.02 0.16 0.07 -0.05 -0.07 -0.01 -0.04 0.01 -0.00 -0.05 -0.02 -0.02 0.03 0.02 -0.03 -0.01 0.02 -0.04 0.02 0.01 0.07 -0.05 -0.03 0.03 0.01 0.01 -0.12 0.05 0.06 0.08 -0.04 -0.04 -0.12 0.03 0.07 0.09 -0.07 0.06 0.07 -0.01 0.01 0.10 0.06 -0.06 0.04 0.03 0.06 0.07 0.00 0.01 0.04 -0.02 -0.05 -0.05 0.08 -0.04 0.01 0.05 -0.01 -0.03 0.05 -0.01 -0.16 0.28 -0.10 -0.04 0.15 -0.09 0.03 0.08 -0.09 0.05 -0.08 0.16 0.08 -0.06 0.09 -0.13 -0.07 0.32 0.00 -0.18 -0.29 0.28 0.00 0.07 0.19 -0.12 -0.14 0.00 -0.06 -0.00 0.04 -0.08 -0.03 -0.04 -0.04 -0.00 -0.05 0.01 0.02 0.06 -0.11 0.00 0.07 0.05 0.12 -0.18 0.05 0.09 0.00 -0.00 0.00 0.01 -0.00 -0.02 -0.00 -0.00 0.00 0.01 -0.00 -0.00 0.01 -0.00 -0.00 0.04 -0.07 0.14 -0.01 0.00 -0.00 -0.04 0.04 -0.09 -0.05 -0.13 0.18 -0.01 0.12 0.03 0.12 -0.05 -0.06 -0.01 0.01 -0.00 0.00 -0.00 0.01 0.00 -0.00 -0.01 0.00 0.08 -0.10 -0.08 0.01 -0.10 0.01 -0.02 0.05 0.05 0.02 0.00 -0.06 -0.03 0.02 0.00 -0.00 -0.00 -0.02 0.03 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.01 0.00 0.01 -0.08 -0.07 0.05 -0.12 -0.17 0.20 -0.11 -0.19 0.23 -0.03 0.07 -0.16 -0.02 0.35 0.16 -0.05 0.18 -0.10 0.08 0.01 -0.19 0.35 -0.16 -0.12 0.01 0.05 -0.15 -0.01 0.02 -0.00 -0.01 0.02 -0.00 0.00 0.01 0.00 0.01 -0.01 0.01 0.02 -0.01 0.00 -0.00 -0.00 0.03 -0.00 -0.01 -0.02 0.01 -0.00 0.00 0.01 -0.01 -0.01 0.06 0.16 -0.14 -0.16 -0.04 -0.15 0.14 0.03 0.04 -0.12 -0.08 0.07 0.02 0.13 -0.03 -0.10 -0.02 -0.09 -0.01 0.00 0.01 -0.06 -0.05 -0.09 -0.04 -0.10 0.00 0.02 0.03 0.03 0.08 0.11 -0.02 0.10 0.17 -0.02 -0.01 0.01 0.01 0.06 0.11 0.05 0.00 -0.01 -0.01 0.00 -0.01 0.00 0.00 0.01 0.01 -0.01 0.01 -0.00 -0.08 -0.04 -0.06 -0.07 -0.07 -0.03 0.05 -0.09 0.15 0.00 -0.01 -0.01 0.00 -0.01 -0.01 -0.01 0.01 0.01 -0.00 0.01 0.01 -0.01 0.01 0.01 0.04 0.03 0.02 0.02 -0.04 -0.03 0.02 0.05 0.09 0.01 -0.01 0.03 0.06 0.18 0.05 0.01 -0.02 -0.00 0.00 -0.02 0.01 0.01 0.00 -0.01 0.01 0.01 0.02 0.01 0.01 0.01 0.01 0.00 -0.00 -0.01 0.00 -0.01 -0.00 -0.00 -0.01 -0.02 0.01 -0.01 -0.13 -0.08 -0.10 -0.00 -0.27 -0.07 -0.27 0.05 -0.17 0.02 -0.14 -0.27 -0.24 -0.17 0.08 -0.14 -0.14 -0.02 -0.04 -0.21 0.07 0.00 -0.19 0.12 0.15 -0.10 0.33 0.01 -0.02 -0.01 0.01 -0.02 -0.01 -0.00 0.00 0.00 -0.01 0.01 0.01 0.03 -0.01 -0.04 0.05 -0.05 -0.07 0.07 0.26 0.08 0.00 -0.00 -0.00 0.02 0.01 -0.01 -0.00 -0.01 -0.00 0.05 -0.02 -0.02 0.02 -0.01 0.00 0.14 0.13 0.02 -0.02 0.01 0.01 0.15 0.02 -0.04 -0.04 0.03 -0.11 -0.03 0.07 0.13 0.01 -0.09 0.01 -0.01 0.03 -0.01 -0.02 -0.01 0.02 0.00 -0.01 -0.01 0.02 0.02 -0.08 0.06 -0.05 0.03 -0.09 -0.08 -0.00 -0.04 0.06 -0.03 -0.02 0.02 0.09 -0.00 -0.00 0.01 -0.12 -0.12 -0.02 0.02 0.00 -0.02 -0.04 0.02 0.01 -0.02 0.01 0.01 -0.09 0.13 -0.37 -0.15 -0.12 -0.01 -0.14 -0.08 -0.09 -0.09 -0.01 0.08 -0.12 -0.05 0.05 -0.09 0.16 0.33 0.18 -0.34 0.04 -0.17 -0.13 -0.02 -0.18 -0.08 -0.01 -0.02 0.06 -0.01 -0.01 0.04 -0.01 0.02 0.01 -0.01 0.00 -0.02 0.01 -0.00 -0.02 0.02 -0.03 -0.02 0.05 0.00 -0.02 -0.04 0.04 -0.01 0.01 0.01 -0.01 -0.02 -0.06 0.00 -0.00 -0.05 -0.05 0.01 0.01 0.16 0.06 -0.01 0.16 0.10 -0.12 -0.14 -0.02 -0.14 -0.11 0.02 -0.07 0.02 0.03 0.02 -0.00 0.04 0.03 0.04 -0.02 -0.01 -0.12 0.08 0.02 0.08 0.07 -0.02 -0.08 0.01 0.02 0.00 -0.01 0.09 0.20 -0.06 -0.01 0.04 0.02 -0.00 0.01 -0.01 -0.01 -0.01 -0.00 0.02 -0.02 0.00 -0.11 0.07 -0.01 0.10 -0.02 -0.13 0.01 -0.04 0.06 -0.01 0.01 0.00 -0.01 0.00 0.01 -0.02 0.02 0.01 0.00 -0.01 -0.02 0.01 -0.02 -0.01 0.06 0.00 0.12 -0.04 0.04 0.05 -0.08 -0.05 -0.11 0.01 -0.00 -0.05 -0.09 -0.08 -0.13 -0.01 0.03 -0.03 -0.02 0.02 -0.02 -0.02 -0.01 0.01 -0.03 -0.03 -0.02 -0.03 -0.02 -0.01 -0.03 0.02 0.03 0.03 -0.02 0.02 0.01 -0.01 0.01 0.03 -0.02 0.01 -0.06 -0.12 0.03 -0.15 -0.07 0.03 -0.36 0.19 -0.02 0.22 -0.10 -0.31 0.04 -0.13 -0.08 -0.01 -0.10 -0.01 -0.12 -0.19 0.01 -0.12 -0.20 -0.02 0.14 -0.05 0.37 0.01 -0.04 -0.02 0.01 -0.03 -0.01 0.04 -0.06 -0.05 0.04 -0.06 -0.04 -0.03 -0.01 0.04 -0.03 0.05 0.07 -0.11 -0.17 -0.16 0.02 -0.01 -0.01 0.01 -0.03 -0.03 0.00 0.01 -0.00 0.21 -0.12 -0.12 -0.10 0.05 0.04 0.05 -0.02 -0.03 -0.05 0.01 0.03 -0.08 0.15 0.11 -0.00 0.02 -0.02 -0.02 -0.04 -0.05 0.08 -0.04 0.01 -0.03 0.07 -0.02 -0.06 -0.03 0.07 0.01 0.00 -0.00 -0.02 0.02 0.02 -0.02 0.02 0.03 -0.08 0.12 0.07 0.02 -0.05 -0.05 0.04 -0.08 -0.06 -0.00 -0.01 -0.01 -0.07 0.08 0.10 0.14 -0.04 -0.06 -0.19 0.07 0.09 0.06 -0.02 -0.02 -0.03 0.06 -0.02 -0.02 0.08 -0.06 -0.04 -0.01 0.06 -0.07 -0.11 -0.10 -0.08 -0.07 -0.06 -0.07 0.03 0.05 0.05 -0.00 0.05 0.06 -0.02 0.03 0.14 -0.05 0.03 -0.07 0.19 -0.04 -0.00 0.11 -0.04 0.09 0.02 -0.04 0.01 -0.08 0.01 -0.07 -0.07 0.08 -0.13 -0.08 0.13 0.02 -0.02 -0.09 0.10 0.00 0.06 0.03 -0.01 -0.04 0.10 -0.21 -0.11 0.09 -0.15 -0.08 0.16 -0.29 -0.20 0.16 -0.28 -0.19 -0.04 0.04 0.08 0.03 0.07 0.05 -0.09 0.05 0.05 0.02 -0.00 0.01 -0.05 0.05 0.06 -0.00 -0.02 0.02 0.18 -0.08 -0.08 -0.11 0.01 0.04 -0.09 -0.02 0.02 -0.01 0.07 0.01 0.06 -0.15 -0.09 0.01 -0.04 0.05 0.03 0.02 0.01 -0.09 0.07 -0.02 -0.06 0.08 -0.02 -0.02 -0.03 0.02 0.01 -0.00 0.01 0.03 -0.01 0.01 0.02 0.01 -0.04 0.11 -0.10 -0.08 0.00 0.05 0.05 -0.01 0.08 0.02 0.02 -0.01 0.02 0.08 -0.05 -0.08 0.08 -0.06 -0.08 -0.16 0.06 0.06 0.03 -0.06 -0.07 0.04 -0.10 0.14 0.06 -0.06 0.07 0.07 0.02 -0.04 0.10 0.11 0.07 0.11 0.07 0.04 0.10 -0.08 -0.15 -0.12 0.10 -0.05 -0.03 0.05 -0.02 -0.10 0.08 -0.02 -0.07 0.12 -0.03 -0.04 0.07 -0.03 -0.03 0.07 -0.04 0.07 -0.09 -0.08 -0.04 -0.08 0.04 -0.10 -0.09 0.09 -0.01 -0.06 -0.07 0.05 -0.05 0.04 0.06 -0.02 0.07 -0.08 0.23 0.12 -0.07 0.21 0.10 -0.16 0.28 0.19 -0.14 0.28 0.17 0.02 0.09 -0.05 -0.02 -0.08 -0.14 -0.09 -0.03 -0.03 -0.00 -0.00 -0.01 0.04 -0.07 -0.08 -0.00 0.03 -0.00 -0.00 -0.01 -0.02 -0.04 0.01 -0.01 -0.00 0.01 0.00 0.01 0.01 0.00 0.07 -0.12 -0.04 0.00 0.00 -0.00 0.01 0.02 0.02 -0.02 0.01 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.01 0.01 0.01 0.03 0.04 0.06 -0.04 -0.02 0.06 0.05 -0.07 -0.09 0.04 0.01 -0.09 -0.04 -0.03 -0.07 0.02 -0.01 -0.03 -0.13 0.23 0.26 -0.02 0.00 0.05 0.01 -0.02 0.02 0.04 -0.02 0.02 0.00 0.00 -0.00 0.02 -0.02 0.02 0.01 0.00 -0.03 0.02 0.04 0.03 0.02 0.03 0.03 0.02 -0.01 0.00 0.00 -0.03 -0.01 -0.04 0.00 -0.01 -0.06 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.01 -0.00 -0.02 0.01 -0.01 0.01 -0.00 -0.02 -0.01 -0.00 0.00 -0.00 -0.00 -0.01 0.01 0.01 0.01 0.01 0.00 0.01 0.01 0.01 0.01 -0.18 0.30 0.27 -0.18 0.27 0.26 -0.15 0.25 0.06 -0.16 0.23 0.07 -0.12 0.11 0.25 -0.14 0.20 0.23 0.11 -0.00 0.01 0.04 0.02 0.05 0.02 0.03 -0.03 0.08 -0.01 0.29 -0.01 0.03 -0.12 -0.15 0.19 -0.20 0.03 0.02 0.00 -0.03 -0.08 0.03 -0.01 -0.00 -0.01 0.00 0.02 -0.03 0.00 0.02 0.02 0.03 -0.02 0.00 0.08 -0.09 0.01 -0.08 -0.00 0.09 0.02 0.02 0.01 -0.03 -0.02 -0.01 -0.01 -0.00 -0.01 0.00 -0.00 0.01 -0.03 -0.03 0.03 -0.01 -0.01 0.01 0.11 -0.21 0.09 0.04 0.01 -0.02 -0.22 -0.01 0.03 -0.05 -0.15 -0.02 0.05 0.13 -0.31 -0.00 0.04 -0.07 -0.01 0.00 -0.02 -0.01 -0.00 -0.02 -0.01 0.00 0.02 -0.02 0.00 0.01 -0.01 0.04 0.06 0.05 -0.05 0.01 0.00 -0.02 0.00 0.00 -0.02 0.00 0.05 -0.03 -0.02 0.11 -0.10 -0.01 0.13 -0.12 -0.01 -0.13 0.02 0.12 -0.10 0.03 0.10 -0.04 0.02 0.02 0.10 0.12 0.05 0.08 0.12 0.06 -0.07 0.03 -0.17 -0.02 -0.02 -0.02 -0.02 -0.02 -0.03 -0.03 -0.04 0.02 -0.01 -0.05 0.01 0.06 -0.07 -0.03 0.02 0.06 0.09 0.29 0.15 -0.37 0.01 0.00 0.03 -0.02 -0.03 0.01 0.08 -0.10 0.07 -0.03 0.08 0.02 0.20 0.01 -0.12 -0.04 -0.02 -0.00 -0.03 -0.08 0.01 0.03 -0.01 0.01 -0.00 -0.03 0.05 0.00 -0.03 -0.04 -0.04 0.03 -0.00 0.05 -0.05 0.01 -0.05 0.00 0.06 -0.02 -0.01 -0.04 0.07 0.04 0.03 0.01 -0.01 0.04 -0.01 -0.00 -0.02 0.06 0.06 -0.06 -0.00 0.00 -0.03 -0.14 0.05 0.18 -0.08 0.01 0.06 0.23 -0.08 -0.22 -0.03 0.00 -0.04 -0.21 0.18 -0.08 0.01 -0.06 0.10 0.02 -0.01 0.03 0.02 -0.00 0.03 0.02 0.00 -0.02 0.02 -0.00 -0.02 0.02 -0.06 -0.09 -0.07 0.08 -0.01 -0.01 0.03 -0.00 -0.01 0.03 -0.00 0.04 -0.01 0.00 0.06 -0.00 0.00 0.13 -0.09 0.02 -0.10 0.03 0.13 -0.02 0.04 0.04 -0.01 0.03 0.03 0.01 0.03 -0.01 0.01 0.05 -0.02 -0.06 -0.02 -0.14 0.02 0.07 0.07 0.01 0.04 0.08 0.04 0.09 -0.04 0.00 0.09 -0.02 -0.10 0.11 0.07 -0.08 -0.05 -0.10 -0.55 0.28 0.06 -0.00 0.00 -0.00 0.01 -0.02 -0.03 0.03 0.01 0.00 -0.03 -0.00 -0.01 0.03 -0.02 -0.05 0.00 0.00 0.01 0.01 0.01 0.00 -0.00 0.01 -0.11 -0.01 0.00 -0.02 0.01 -0.00 -0.01 -0.01 0.02 -0.01 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.01 0.01 0.01 -0.28 -0.06 -0.15 0.15 0.23 -0.17 0.04 -0.06 0.07 -0.16 -0.23 0.15 0.29 0.04 0.13 -0.06 0.00 0.02 -0.04 0.08 0.14 0.08 -0.04 -0.01 -0.01 -0.02 0.02 -0.04 0.02 0.03 -0.02 0.01 -0.03 -0.00 -0.00 -0.02 -0.01 0.00 -0.03 0.01 0.00 -0.00 0.01 -0.00 -0.01 0.01 -0.00 -0.02 -0.00 0.01 -0.02 -0.03 0.03 0.00 -0.03 0.01 0.00 -0.01 -0.00 -0.00 0.00 -0.01 -0.00 -0.02 0.01 -0.01 0.01 -0.00 -0.02 -0.01 -0.01 0.01 -0.00 -0.00 -0.00 0.01 0.01 0.02 0.01 0.01 0.01 0.01 0.01 0.01 -0.27 0.11 -0.14 -0.03 0.31 -0.14 -0.13 -0.10 0.25 0.17 0.06 0.24 -0.03 -0.08 0.14 0.03 0.11 0.21 -0.10 0.08 0.08 -0.00 -0.03 0.01 -0.00 -0.11 0.02 -0.14 -0.14 -0.06 0.16 0.10 0.12 0.08 0.13 0.29 -0.00 0.00 0.00 -0.08 -0.13 -0.00 0.01 -0.01 -0.03 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.01 0.01 -0.00 0.05 -0.05 0.02 -0.04 -0.00 0.07 -0.11 -0.07 -0.14 -0.05 -0.01 -0.02 0.02 0.04 -0.02 0.01 -0.01 0.01 -0.02 -0.04 0.02 0.05 0.00 0.02 0.20 0.12 0.02 -0.01 0.02 0.04 -0.19 0.17 -0.14 0.02 0.19 -0.13 0.06 0.06 -0.18 -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 0.00 0.00 0.00 -0.00 -0.01 -0.00 0.00 -0.00 -0.01 0.01 -0.00 -0.01 0.00 0.00 0.07 0.04 0.03 0.03 0.11 0.01 0.24 -0.14 0.07 -0.12 0.05 0.23 0.07 0.08 -0.01 0.02 0.05 0.05 -0.09 -0.05 -0.13 -0.08 -0.05 -0.12 -0.13 -0.07 -0.18 -0.07 0.05 0.00 -0.02 0.09 0.00 -0.03 0.00 0.05 0.02 0.03 0.05 -0.02 -0.01 0.04 0.02 0.00 0.01 0.04 -0.22 -0.31 0.00 -0.00 0.00 -0.03 -0.00 0.03 0.01 -0.02 -0.01 0.01 0.01 0.01 0.04 -0.01 0.00 0.08 0.06 0.00 -0.00 -0.01 -0.00 -0.07 -0.10 -0.02 0.02 0.09 -0.14 0.00 0.10 0.13 0.12 -0.09 0.01 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.01 -0.01 -0.01 -0.08 -0.08 0.08 -0.13 -0.03 -0.05 0.09 0.05 -0.01 -0.05 -0.11 0.07 -0.12 -0.03 -0.10 -0.04 0.04 0.03 0.21 0.12 -0.01 0.07 -0.03 -0.05 -0.00 0.02 -0.01 -0.04 0.01 -0.00 -0.01 0.15 -0.26 -0.03 0.04 -0.10 -0.03 0.03 -0.12 -0.04 0.05 0.10 -0.05 0.05 0.10 -0.04 0.17 0.24 0.21 -0.22 0.02 0.03 -0.10 0.00 0.03 -0.10 0.02 0.00 0.01 0.00 0.00 0.01 -0.00 0.01 -0.01 0.00 -0.01 0.00 0.01 0.00 0.00 0.00 -0.00 0.00 0.01 -0.01 -0.00 -0.01 -0.00 -0.01 -0.01 -0.01 -0.01 -0.01 -0.10 0.04 0.12 -0.13 0.07 0.02 -0.25 -0.08 0.04 -0.24 -0.09 -0.00 0.19 0.23 -0.00 0.21 0.08 -0.12 -0.15 0.04 0.04 0.00 0.00 0.00 0.00 0.01 0.01 -0.01 0.01 0.01 -0.02 -0.00 0.01 0.01 -0.00 0.00 0.01 0.01 0.00 -0.00 -0.00 -0.00 0.15 -0.19 -0.14 -0.00 -0.01 0.02 0.00 0.01 0.02 -0.05 0.03 -0.01 -0.00 0.00 -0.00 0.01 -0.00 -0.01 0.01 0.00 0.01 -0.07 0.11 0.04 -0.06 0.07 0.09 -0.14 0.20 0.14 0.06 -0.09 -0.08 0.07 -0.13 -0.04 0.02 -0.03 -0.02 0.01 -0.05 -0.09 0.01 0.01 -0.01 -0.02 0.00 -0.00 -0.01 0.00 0.01 -0.00 -0.01 0.00 -0.00 -0.04 0.04 -0.00 -0.02 -0.00 0.04 0.05 0.03 0.04 0.05 0.04 0.04 -0.03 -0.05 0.00 -0.04 -0.02 -0.10 0.03 -0.01 -0.11 0.02 -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 0.01 0.00 -0.01 0.01 0.00 -0.01 0.01 0.00 0.01 0.01 0.00 0.01 0.00 0.00 0.01 -0.21 0.31 0.19 -0.25 0.30 0.23 0.21 -0.27 -0.18 0.15 -0.25 -0.12 0.06 -0.12 -0.11 0.18 -0.00 -0.02 0.01 -0.01 -0.00 0.01 -0.00 -0.01 -0.01 0.00 0.00 -0.15 0.07 0.07 -0.24 0.12 0.12 0.10 -0.06 -0.05 -0.01 -0.00 -0.00 0.01 0.00 -0.00 -0.03 0.02 0.02 -0.00 0.01 -0.01 -0.00 0.00 0.01 0.01 -0.01 0.00 0.03 -0.03 0.00 0.02 0.00 -0.02 -0.00 -0.00 -0.01 0.01 -0.02 0.01 0.01 0.00 -0.03 0.03 -0.02 -0.02 -0.00 0.00 0.02 -0.00 0.02 -0.01 0.57 -0.26 -0.29 -0.01 -0.01 0.02 0.19 -0.06 -0.09 -0.33 0.14 0.17 -0.12 0.04 0.06 0.00 0.00 -0.00 0.00 0.02 -0.02 0.00 0.01 -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 0.03 -0.01 0.00 0.03 -0.01 0.00 0.03 -0.09 0.01 0.02 -0.08 0.02 -0.06 0.02 0.01 -0.04 0.04 0.03 0.04 0.03 -0.04 0.06 0.04 -0.04 -0.01 -0.00 0.01 -0.03 -0.00 -0.03 -0.01 0.00 0.01 0.04 -0.03 -0.01 0.04 -0.01 -0.03 -0.04 0.04 0.04 -0.05 0.07 0.03 -0.02 0.06 0.03 -0.03 -0.04 -0.05 -0.25 0.09 0.12 0.05 0.04 0.06 -0.01 -0.04 0.00 0.01 0.04 -0.01 -0.08 -0.16 0.01 0.13 0.10 0.16 -0.00 -0.00 -0.00 -0.06 -0.11 0.00 -0.01 0.01 0.01 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.01 -0.01 0.00 -0.15 0.11 -0.02 0.11 -0.02 -0.15 0.11 0.02 0.21 0.01 -0.01 0.00 0.00 0.00 -0.01 0.01 -0.01 -0.01 -0.00 0.00 0.00 -0.00 0.01 -0.00 -0.12 -0.18 -0.10 -0.00 -0.01 0.02 -0.01 0.13 -0.09 -0.13 -0.11 -0.18 0.02 0.11 -0.04 -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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.01 -0.00 0.00 0.01 -0.01 0.00 -0.17 0.23 -0.04 -0.16 0.21 -0.04 -0.02 0.05 -0.02 0.04 0.03 -0.04 0.18 0.03 -0.21 0.19 0.03 -0.21 0.20 0.13 0.26 0.20 0.13 0.26 0.04 0.03 0.04 0.01 -0.00 0.00 0.02 -0.01 -0.01 -0.02 0.03 0.02 -0.00 0.01 -0.01 -0.00 0.04 0.01 -0.00 -0.04 -0.06 -0.07 -0.08 -0.10 0.00 0.00 0.00 -0.01 0.00 0.01 -0.00 0.00 -0.00 -0.01 0.00 0.00 0.01 -0.00 0.00 0.12 0.07 0.01 -0.00 -0.00 0.00 0.06 0.09 0.03 0.02 -0.05 0.11 0.03 -0.08 -0.12 -0.07 0.09 -0.01 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.11 -0.01 -0.15 -0.02 -0.13 0.13 -0.01 -0.03 -0.01 -0.08 0.01 -0.12 -0.02 -0.07 0.10 0.01 -0.00 -0.01 0.20 0.11 0.01 0.01 -0.01 -0.01 -0.01 0.00 0.00 -0.00 -0.00 -0.01 -0.02 0.03 -0.08 -0.08 -0.14 0.17 -0.07 -0.15 0.17 -0.05 -0.19 -0.18 -0.06 -0.17 -0.18 -0.05 0.03 0.06 0.02 -0.05 -0.01 -0.19 0.08 -0.02 -0.21 0.09 -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 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.29 -0.05 -0.01 -0.20 -0.14 0.10 -0.14 0.20 0.01 -0.03 0.06 0.13 0.21 0.23 0.01 0.22 0.07 -0.10 -0.06 0.01 0.02 0.03 0.03 0.03 -0.00 -0.01 0.00 0.01 0.05 -0.02 -0.04 -0.08 0.00 0.07 0.03 0.11 0.00 -0.00 0.00 0.09 0.20 -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 0.14 -0.06 0.01 -0.09 0.05 0.13 -0.05 0.01 -0.12 0.00 -0.01 -0.00 -0.01 0.01 0.00 0.00 -0.00 0.00 0.00 -0.01 -0.01 -0.01 0.01 0.00 -0.09 -0.11 -0.07 0.00 -0.01 0.01 -0.00 0.05 -0.04 -0.10 -0.11 -0.11 0.01 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 0.18 -0.31 0.04 0.13 -0.27 0.06 -0.18 0.09 -0.00 0.10 -0.07 -0.13 -0.20 -0.08 0.22 -0.24 -0.07 0.24 -0.19 -0.15 -0.19 -0.18 -0.16 -0.20 0.09 -0.00 0.19 -0.03 0.05 0.03 0.04 -0.06 -0.04 -0.04 0.05 0.03 0.04 -0.06 -0.05 0.00 0.03 0.01 -0.01 -0.03 -0.04 -0.04 -0.11 -0.02 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.01 -0.03 -0.01 -0.00 -0.00 -0.01 0.00 -0.03 0.04 0.03 -0.01 0.01 -0.02 -0.01 -0.00 0.01 0.02 -0.02 0.00 -0.01 0.00 -0.00 0.00 -0.00 -0.01 0.00 -0.00 0.00 0.05 -0.06 -0.05 -0.01 0.03 0.03 -0.03 0.04 0.03 0.05 -0.07 -0.06 -0.00 0.02 0.03 0.00 0.01 0.00 -0.01 -0.01 -0.02 0.00 -0.00 0.00 0.01 0.01 0.01 -0.00 -0.00 0.00 0.01 -0.02 0.03 0.02 0.03 -0.03 0.02 0.04 -0.04 0.00 0.02 0.02 0.01 0.03 0.02 0.00 -0.02 -0.02 -0.01 0.03 -0.01 0.05 -0.02 0.01 0.07 -0.03 0.01 -0.01 0.01 -0.00 -0.01 0.01 -0.00 0.01 -0.00 0.00 -0.00 0.00 0.01 0.01 0.00 -0.01 0.01 0.00 -0.01 0.01 0.01 0.01 0.01 0.01 0.01 -0.00 -0.00 -0.01 -0.28 0.46 0.29 0.14 -0.22 -0.14 -0.28 0.50 0.30 0.13 -0.20 -0.12 0.01 -0.04 -0.02 0.04 0.00 0.00 0.01 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.01 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.08 -0.03 -0.00 0.00 0.01 -0.00 -0.05 0.07 0.04 -0.02 0.02 -0.04 -0.02 0.01 0.02 0.05 -0.07 0.01 0.01 -0.00 0.00 -0.00 0.00 0.01 -0.00 0.00 -0.01 0.00 0.00 -0.05 0.06 -0.10 -0.01 -0.04 0.04 0.03 0.01 0.01 -0.04 0.06 -0.07 0.01 -0.01 -0.01 -0.00 0.01 0.01 -0.04 0.00 0.00 -0.00 -0.00 -0.01 -0.01 -0.00 0.00 0.00 0.01 -0.04 0.09 0.06 0.06 -0.07 0.05 0.09 -0.11 0.01 0.05 0.06 0.02 0.04 0.04 0.01 -0.03 -0.05 -0.04 0.08 -0.00 0.16 -0.05 0.02 0.17 -0.06 0.01 0.01 -0.01 0.00 0.01 -0.01 0.00 -0.01 0.00 -0.00 0.00 -0.00 -0.00 -0.01 -0.00 0.01 -0.01 -0.00 0.01 -0.01 -0.01 -0.01 -0.01 -0.01 -0.01 0.00 0.00 0.01 -0.05 0.07 -0.00 -0.32 0.42 0.34 0.00 0.11 0.03 -0.21 0.46 0.32 0.04 -0.12 -0.06 0.13 0.05 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 -0.11 -0.09 -0.02 -0.00 -0.00 0.00 0.05 -0.05 -0.03 -0.02 0.02 -0.08 -0.04 0.06 0.10 0.03 -0.07 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.08 0.06 -0.08 -0.01 -0.01 0.13 0.01 -0.06 -0.03 -0.04 0.09 -0.10 0.03 0.01 0.11 0.01 0.00 -0.00 0.09 0.04 0.05 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.03 -0.09 0.17 0.09 0.16 -0.17 0.09 0.15 -0.12 0.06 0.20 0.17 0.08 0.16 0.17 0.06 -0.07 -0.13 -0.09 0.11 -0.01 0.16 -0.04 0.02 0.19 -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 -0.01 -0.19 -0.18 0.15 -0.33 -0.09 0.15 -0.09 -0.19 0.25 -0.21 -0.11 0.06 0.23 0.06 -0.01 -0.03 -0.10 -0.03 0.01 0.01 -0.00 -0.00 -0.00 -0.00 0.00 -0.01 0.00 -0.02 0.02 0.01 -0.02 -0.01 -0.02 -0.01 -0.03 -0.00 0.00 0.01 0.00 0.00 -0.00 -0.00 0.00 0.02 -0.00 0.00 -0.00 0.00 -0.01 -0.01 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.01 -0.01 -0.00 0.02 0.00 -0.02 -0.01 0.02 0.03 -0.01 0.00 -0.02 0.00 0.01 -0.03 0.01 -0.01 0.01 0.04 -0.08 0.09 0.03 0.04 -0.01 0.01 0.03 -0.01 -0.09 0.03 0.06 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.01 -0.02 -0.00 -0.01 -0.01 -0.00 -0.01 -0.01 -0.00 -0.00 -0.00 0.01 -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 -0.00 0.01 -0.00 -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 -0.01 0.00 -0.01 0.00 0.00 0.00 -0.05 0.01 0.03 -0.01 0.11 0.05 -0.04 0.01 -0.03 -0.01 0.05 -0.01 -0.01 0.38 0.10 -0.13 -0.26 -0.33 0.66 -0.27 -0.29 0.00 0.00 0.00 -0.01 -0.01 0.02 -0.00 0.00 -0.00 0.02 -0.01 -0.00 0.01 0.00 0.00 0.00 -0.01 -0.01 0.00 -0.00 0.00 0.01 -0.00 -0.02 0.00 -0.01 0.00 0.00 0.01 0.01 -0.01 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.02 0.00 -0.03 -0.01 0.03 0.02 -0.03 -0.03 0.01 -0.00 0.02 -0.00 -0.01 0.04 -0.00 -0.00 -0.00 -0.03 0.10 -0.09 0.06 -0.02 -0.02 -0.01 0.00 0.00 -0.10 0.04 0.04 -0.00 0.00 0.01 -0.01 0.01 -0.01 -0.01 -0.02 0.04 0.00 0.01 0.01 0.00 0.01 0.01 0.00 0.01 0.01 -0.01 0.01 0.00 -0.01 0.01 0.00 0.01 -0.01 0.00 -0.00 0.01 -0.00 -0.00 0.01 -0.00 0.01 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.01 -0.01 -0.00 0.00 -0.00 -0.00 0.01 -0.01 -0.00 -0.01 0.00 -0.00 0.00 0.06 -0.03 -0.06 0.01 -0.15 -0.07 0.03 -0.00 0.03 0.00 -0.04 0.03 0.01 -0.42 -0.10 0.18 0.29 0.35 0.58 -0.25 -0.30 0.00 0.00 0.00 0.00 0.01 -0.00 -0.00 0.01 -0.01 0.01 0.01 0.00 0.01 0.01 0.02 -0.07 0.11 0.08 0.00 -0.01 0.00 0.01 -0.01 -0.01 -0.04 0.07 0.03 -0.06 -0.07 -0.10 0.12 -0.03 0.06 -0.00 0.01 0.00 0.00 -0.00 0.00 -0.00 -0.01 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.01 -0.01 -0.01 -0.01 0.01 0.01 -0.01 0.01 0.01 -0.00 0.01 -0.01 -0.00 0.01 -0.00 -0.00 -0.04 0.01 -0.01 -0.02 0.01 -0.01 0.01 -0.01 0.07 -0.10 -0.09 0.02 -0.28 0.28 0.07 0.13 -0.38 0.09 0.14 0.12 0.14 -0.08 -0.10 0.09 -0.29 -0.32 0.28 -0.28 -0.05 0.10 -0.21 -0.06 -0.23 0.07 -0.05 -0.01 0.00 -0.00 0.00 -0.01 -0.00 -0.01 0.01 -0.00 -0.01 0.00 0.00 -0.01 0.01 0.01 0.01 0.00 -0.02 0.01 0.01 0.01 -0.01 0.00 -0.01 -0.01 -0.00 -0.01 -0.01 0.01 0.01 0.00 -0.01 -0.00 0.05 -0.07 -0.05 0.05 -0.09 -0.05 -0.00 -0.01 0.00 -0.01 0.02 0.03 0.04 -0.02 -0.04 -0.01 -0.01 -0.00 -0.02 -0.08 0.03 0.02 -0.12 0.15 -0.09 -0.15 -0.00 -0.13 -0.07 -0.20 -0.03 0.04 0.02 0.03 0.05 -0.05 0.00 -0.01 -0.01 -0.01 0.02 0.02 -0.02 -0.02 -0.03 0.04 -0.01 0.02 0.01 0.01 -0.02 -0.03 -0.00 0.02 0.04 0.04 0.01 0.00 0.01 0.00 -0.02 0.00 0.02 0.02 -0.02 -0.02 0.00 0.00 0.01 0.00 -0.01 0.02 0.01 -0.07 0.08 -0.02 0.04 -0.05 0.08 0.41 -0.09 0.05 0.28 -0.16 0.11 -0.06 0.14 0.03 -0.04 -0.02 0.00 -0.09 0.10 0.02 0.04 -0.12 0.03 0.06 0.07 0.05 -0.04 -0.04 0.04 -0.10 -0.10 0.10 -0.10 -0.01 0.02 -0.07 -0.02 -0.08 0.02 -0.01 0.10 -0.10 0.05 -0.08 0.04 0.03 -0.05 0.04 0.04 -0.05 0.02 0.10 0.03 0.03 -0.02 -0.00 0.03 0.06 -0.02 -0.02 0.05 -0.06 -0.05 -0.05 0.08 0.04 0.16 0.04 -0.03 -0.04 0.03 -0.12 -0.07 0.01 -0.01 0.01 -0.01 -0.01 0.03 0.02 -0.22 -0.06 0.17 0.12 0.10 -0.20 0.14 0.32 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.01 0.12 -0.06 -0.01 0.00 0.00 0.00 -0.00 -0.01 0.01 0.00 0.01 0.00 0.00 0.00 -0.01 -0.04 0.14 -0.03 -0.02 -0.06 0.09 0.03 -0.06 -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 0.00 -0.00 -0.01 0.00 0.00 0.00 -0.00 -0.00 -0.01 0.04 0.01 0.02 -0.01 0.00 -0.00 0.02 -0.01 0.01 0.03 -0.00 -0.03 -0.02 0.00 0.01 0.04 0.01 -0.01 0.01 -0.03 0.02 0.01 0.02 -0.02 0.01 -0.00 -0.17 0.00 -0.12 -0.09 0.05 -0.42 0.31 -0.03 -0.27 0.09 0.20 -0.20 0.15 0.15 0.17 0.06 -0.25 0.14 0.15 0.30 -0.22 0.04 -0.24 -0.19 0.03 -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 0.01 0.00 -0.00 -0.00 -0.01 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.01 0.00 0.00 -0.01 0.01 -0.01 -0.01 0.00 -0.01 -0.00 -0.02 0.00 -0.00 0.00 0.02 0.01 0.13 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.03 0.07 0.11 0.04 -0.03 -0.10 -0.07 -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 -0.01 0.00 -0.00 0.00 -0.00 0.01 0.04 -0.01 -0.01 0.01 -0.02 0.01 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 -0.00 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 -0.26 0.17 -0.13 0.27 -0.28 -0.05 -0.09 0.06 -0.15 0.19 -0.04 -0.39 -0.23 -0.07 0.17 0.00 -0.09 -0.19 0.06 0.09 -0.14 0.12 0.16 0.08 -0.21 -0.08 -0.43 0.00 -0.00 -0.00 0.00 -0.01 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.02 -0.01 0.01 0.01 0.01 -0.01 0.02 0.02 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.03 -0.07 0.12 0.01 -0.01 -0.00 -0.01 -0.01 0.00 0.07 0.08 -0.10 0.01 -0.09 0.01 -0.08 0.02 0.07 -0.00 0.01 -0.01 -0.00 -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 0.01 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 -0.02 0.25 -0.40 -0.12 0.01 -0.06 -0.10 -0.09 0.02 0.03 -0.08 -0.29 -0.00 0.28 0.22 -0.02 -0.04 -0.26 -0.21 0.21 -0.16 0.34 -0.18 -0.05 -0.18 0.25 -0.13 0.01 -0.02 0.01 -0.02 0.00 0.01 -0.04 0.03 0.00 -0.03 0.01 0.03 -0.01 0.02 0.01 0.02 0.01 -0.02 0.01 0.01 0.03 -0.02 0.00 -0.02 -0.01 0.00 -0.00 0.01 0.02 -0.01 -0.01 -0.01 -0.00 0.02 0.00 -0.01 -0.01 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 0.00 0.00 -0.00 -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 0.03 -0.06 -0.03 -0.04 0.05 -0.04 0.01 0.01 0.07 -0.00 -0.00 0.01 -0.00 0.00 -0.01 0.01 -0.00 -0.00 -0.01 0.02 0.01 -0.01 0.01 0.01 -0.00 0.01 0.01 0.01 -0.02 -0.01 0.01 -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 0.00 0.00 -0.00 -0.00 -0.07 0.10 0.09 -0.03 0.26 -0.26 -0.06 -0.10 0.34 0.02 0.16 0.37 0.10 -0.29 -0.23 0.08 -0.13 0.09 0.04 -0.04 -0.16 0.25 -0.24 -0.08 -0.28 0.22 -0.13 -0.03 0.02 -0.02 0.03 -0.03 -0.01 0.00 -0.00 -0.02 0.02 -0.01 0.00 0.03 -0.01 -0.02 -0.02 -0.00 0.04 0.01 0.01 0.03 -0.02 -0.00 -0.02 -0.01 0.01 0.00 0.05 -0.08 -0.05 0.03 -0.05 -0.04 -0.06 0.10 0.06 -0.05 0.08 0.05 0.00 0.01 -0.00 0.00 -0.01 -0.01 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.01 -0.02 -0.01 -0.01 0.02 0.01 -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 -0.03 0.06 0.04 -0.04 0.06 0.04 -0.01 0.02 0.02 0.03 -0.06 -0.03 0.04 -0.06 -0.05 -0.00 0.00 -0.00 0.00 -0.02 0.00 -0.01 -0.01 0.00 0.00 -0.01 0.00 0.00 0.00 -0.00 0.03 -0.04 -0.04 0.01 -0.09 0.09 0.02 0.03 -0.11 0.01 0.00 -0.06 0.00 0.08 0.07 -0.00 -0.01 -0.08 0.03 -0.04 0.04 -0.07 0.04 0.01 0.02 -0.04 0.03 0.02 -0.01 0.01 -0.02 0.02 0.00 -0.00 0.00 0.01 -0.01 0.00 -0.01 -0.02 0.00 0.01 0.01 -0.00 -0.02 -0.00 -0.01 -0.02 0.01 0.00 0.01 0.01 -0.00 -0.00 0.22 -0.33 -0.23 0.22 -0.33 -0.22 -0.19 0.32 0.21 -0.23 0.43 0.25 0.01 0.02 -0.00 0.01 -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 0.01 0.00 0.00 -0.01 0.00 -0.00 -0.00 -0.01 -0.00 0.01 0.07 -0.06 0.02 -0.05 0.06 -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 0.01 -0.01 -0.02 0.00 -0.03 0.03 0.00 0.01 -0.04 0.00 -0.01 -0.04 -0.01 0.04 0.03 -0.01 0.01 -0.02 -0.00 0.00 0.02 -0.03 0.03 0.01 0.03 -0.02 0.01 -0.28 0.20 -0.15 0.30 -0.26 -0.07 -0.01 -0.00 -0.16 0.10 -0.05 0.13 0.32 -0.08 -0.23 -0.13 0.02 0.35 0.09 0.11 0.35 -0.28 -0.01 -0.27 -0.13 0.07 0.07 0.00 -0.01 -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 -0.00 -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 0.01 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 0.04 -0.07 -0.05 -0.04 0.06 0.04 -0.00 0.00 -0.00 -0.04 0.07 0.05 0.04 -0.07 -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 0.01 -0.00 0.02 -0.02 -0.01 -0.01 0.03 0.00 0.01 0.02 0.01 -0.01 -0.00 0.00 -0.01 0.01 0.01 -0.01 -0.01 -0.01 -0.00 -0.00 -0.02 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.26 0.40 0.26 0.21 -0.32 -0.21 0.23 -0.37 -0.23 -0.21 0.38 0.23 0.00 0.01 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 -0.01 0.01 -0.02 0.00 -0.00 0.00 -0.04 -0.02 -0.01 0.04 0.01 0.03 -0.01 0.01 -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 0.08 -0.06 0.17 -0.04 0.08 -0.15 -0.03 -0.02 -0.00 -0.04 0.09 -0.18 0.10 -0.06 0.18 0.00 0.00 -0.00 0.02 0.01 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.10 -0.19 -0.09 -0.09 0.09 -0.07 -0.11 0.06 0.01 0.06 0.08 0.03 -0.03 -0.02 0.02 -0.03 -0.02 -0.02 0.03 0.02 -0.02 0.04 0.01 0.09 -0.05 0.02 -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 -0.01 -0.00 -0.00 -0.00 -0.00 -0.01 -0.00 0.00 0.00 0.01 -0.09 -0.27 0.30 -0.31 -0.03 -0.30 -0.33 -0.00 -0.31 -0.07 -0.20 0.32 0.04 0.02 -0.01 0.06 0.01 -0.02 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.01 -0.01 0.03 -0.00 0.07 -0.02 0.01 -0.04 0.00 -0.00 0.00 0.04 -0.01 0.07 -0.00 -0.00 0.00 -0.01 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.06 -0.02 0.05 0.05 -0.06 0.01 0.01 0.08 -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 -0.02 -0.03 -0.02 -0.00 -0.00 0.00 0.01 0.01 0.02 -0.01 -0.02 -0.01 -0.00 0.01 -0.02 -0.00 -0.01 0.02 0.01 0.01 -0.01 0.01 0.02 -0.01 -0.00 -0.01 -0.02 -0.01 0.00 -0.00 -0.01 0.01 0.01 0.01 -0.01 -0.00 0.00 -0.01 -0.00 -0.02 0.01 -0.00 -0.22 0.32 -0.07 0.13 0.04 -0.08 0.20 -0.15 -0.05 -0.18 0.07 0.10 -0.10 0.13 0.06 0.22 0.05 -0.30 -0.25 -0.22 -0.13 -0.19 -0.27 -0.21 0.21 0.06 0.39 -0.00 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 0.07 -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 0.01 -0.03 0.06 -0.00 0.00 -0.00 -0.01 -0.03 0.02 -0.09 -0.02 -0.07 0.08 -0.03 -0.00 0.02 0.06 0.05 0.01 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.01 0.00 0.00 0.01 -0.01 0.02 -0.04 0.00 -0.01 0.02 0.01 0.03 -0.05 0.00 -0.02 0.03 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 0.02 -0.23 0.41 0.21 0.19 -0.20 0.17 0.26 -0.17 -0.07 -0.24 -0.26 -0.14 0.03 0.02 -0.08 0.20 0.18 0.18 -0.19 -0.05 -0.04 -0.11 -0.06 -0.32 0.14 -0.04 0.01 -0.02 0.00 -0.00 -0.01 0.01 -0.02 0.01 -0.00 0.00 -0.00 0.01 0.02 -0.00 -0.01 -0.01 0.00 0.02 0.01 0.01 0.00 0.01 0.02 0.01 -0.01 -0.00 -0.02 -0.02 -0.05 0.02 -0.01 0.01 -0.06 0.02 0.04 -0.04 -0.07 -0.08 0.09 0.05 -0.03 -0.04 -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 -0.03 0.05 0.03 -0.00 0.00 0.00 0.02 -0.03 -0.03 -0.03 0.04 0.03 0.08 0.04 -0.07 -0.04 -0.10 0.03 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.01 0.01 -0.01 0.01 0.01 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 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 0.01 -0.14 0.16 0.03 0.07 -0.19 -0.12 -0.20 -0.02 -0.13 -0.28 -0.27 -0.06 0.21 0.40 -0.31 0.33 -0.08 0.40 -0.10 0.04 0.23 0.04 -0.07 -0.00 -0.01 -0.00 0.00 -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 0.00 -0.00 -0.00 0.01 -0.01 -0.01 0.04 -0.06 -0.04 0.00 -0.01 -0.01 0.00 0.01 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.03 0.01 0.01 -0.00 0.00 0.00 -0.00 0.00 0.00 0.05 -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 -0.09 -0.05 -0.03 0.02 0.09 0.06 0.06 -0.04 -0.02 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.01 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 -0.01 0.01 0.01 -0.00 -0.00 0.01 0.01 -0.01 -0.00 -0.01 -0.01 -0.01 -0.00 -0.00 -0.00 0.01 0.01 -0.00 0.00 -0.00 0.01 -0.00 -0.00 -0.00 0.00 -0.00 0.03 0.20 0.06 -0.17 0.38 -0.05 0.31 -0.22 0.09 0.22 -0.06 -0.35 -0.27 -0.14 0.27 -0.20 -0.13 0.05 0.11 0.10 0.28 -0.19 -0.00 -0.20 -0.10 0.04 0.02 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.01 0.00 0.01 0.03 0.02 0.04 -0.00 0.01 0.00 0.00 -0.02 0.02 0.11 0.30 -0.08 -0.06 -0.07 -0.06 -0.00 -0.00 -0.00 -0.01 -0.03 0.02 -0.02 -0.01 -0.00 0.00 0.00 0.00 0.01 0.00 -0.00 0.00 0.00 0.00 -0.03 -0.03 -0.00 -0.02 -0.04 -0.01 -0.01 -0.02 0.01 0.00 0.00 -0.00 -0.01 -0.01 0.01 0.00 -0.00 -0.01 0.00 -0.00 0.01 0.01 0.00 0.01 0.07 0.12 0.04 -0.01 0.01 0.00 -0.05 0.00 -0.12 -0.26 -0.27 -0.30 0.12 -0.08 0.33 -0.00 0.01 -0.01 -0.01 -0.00 0.00 -0.00 -0.01 0.00 -0.01 -0.01 -0.01 -0.01 -0.00 -0.00 -0.01 0.02 0.02 0.02 -0.02 0.00 -0.01 -0.01 -0.00 -0.02 0.00 0.00 -0.01 0.08 0.01 -0.02 0.11 -0.03 0.14 -0.12 0.02 -0.12 0.03 0.16 0.07 0.06 -0.08 0.07 0.04 -0.03 0.04 0.03 0.01 0.02 0.04 0.03 -0.07 -0.02 -0.12 0.04 0.05 -0.03 -0.01 -0.02 0.00 -0.00 -0.01 -0.00 0.03 0.04 -0.01 0.01 -0.04 -0.01 0.13 -0.01 -0.08 0.30 0.13 0.42 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 0.05 0.03 -0.01 -0.00 -0.00 0.00 0.24 0.18 -0.04 -0.07 -0.04 -0.02 -0.05 -0.04 0.02 -0.04 -0.05 0.02 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.05 -0.01 0.06 0.02 0.04 -0.04 -0.05 -0.02 -0.02 -0.05 -0.08 0.07 -0.10 -0.04 -0.04 0.00 0.00 0.00 0.04 0.02 0.00 -0.00 0.00 -0.00 -0.01 -0.01 -0.01 0.00 -0.00 0.01 0.01 -0.20 0.34 0.14 0.09 -0.09 0.10 0.15 -0.05 0.07 0.11 -0.03 0.09 0.11 0.12 0.03 -0.15 -0.27 -0.21 0.21 -0.06 0.18 -0.02 0.03 0.10 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 -0.08 -0.16 0.18 -0.26 -0.05 -0.18 -0.23 -0.14 -0.00 -0.17 -0.10 0.01 -0.09 0.05 0.07 0.16 0.01 -0.07 0.01 -0.00 0.01 -0.00 -0.00 -0.00 -0.00 0.01 -0.01 -0.00 0.00 -0.00 -0.01 -0.01 -0.00 0.00 0.00 0.00 -0.02 0.01 -0.02 0.00 0.00 -0.00 -0.04 0.01 -0.05 -0.00 -0.01 0.00 0.02 -0.01 0.01 0.01 0.01 0.02 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.05 0.02 0.02 -0.04 -0.05 0.04 -0.01 0.03 -0.07 -0.02 -0.03 0.04 0.07 0.01 0.05 0.00 -0.00 -0.00 -0.01 -0.01 0.01 -0.01 0.00 0.01 0.01 0.00 0.01 -0.00 0.00 -0.01 0.01 -0.02 0.04 0.00 0.01 -0.00 0.00 -0.00 0.00 -0.01 -0.06 -0.08 -0.05 0.05 0.04 -0.03 0.07 0.04 0.06 -0.06 -0.02 0.02 -0.06 -0.02 -0.09 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 0.01 0.26 0.26 -0.14 -0.27 -0.14 -0.06 -0.25 -0.12 -0.07 0.24 0.16 -0.08 -0.43 0.06 0.25 0.44 -0.05 -0.23 -0.01 -0.01 -0.01 0.01 0.01 0.00 -0.00 -0.01 -0.00 -0.01 0.03 -0.06 0.18 0.06 0.31 -0.07 -0.00 -0.14 -0.00 0.00 -0.00 0.06 0.02 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 -0.01 0.00 -0.09 -0.06 0.03 -0.07 -0.05 -0.08 -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 -0.10 -0.11 -0.09 -0.00 -0.01 0.00 0.08 0.10 0.12 -0.04 -0.07 -0.02 -0.04 -0.02 -0.10 0.00 -0.01 0.01 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.01 -0.00 0.01 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 0.26 -0.14 0.12 -0.27 0.23 0.04 -0.00 0.01 0.18 0.13 -0.06 0.12 0.27 -0.07 -0.22 -0.10 0.05 0.29 0.11 0.10 0.00 0.03 0.14 0.03 -0.19 -0.07 -0.30 0.03 0.02 -0.01 -0.02 -0.01 -0.01 -0.04 -0.02 -0.01 0.03 0.02 -0.02 0.03 -0.00 -0.02 -0.00 -0.01 -0.01 -0.04 0.11 -0.06 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 0.02 0.00 0.00 0.00 -0.01 -0.01 0.01 0.00 0.01 -0.00 -0.00 0.01 -0.01 0.00 0.00 -0.01 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.04 -0.02 0.00 0.04 0.03 -0.01 -0.02 -0.01 -0.03 0.05 0.03 0.01 -0.04 -0.03 0.02 -0.00 -0.00 -0.00 -0.01 0.01 -0.01 -0.00 0.01 0.01 0.00 -0.01 0.00 -0.00 -0.00 -0.01 -0.00 0.02 -0.05 -0.01 -0.00 0.00 -0.01 -0.00 -0.00 -0.00 0.01 0.03 0.01 -0.03 -0.03 0.01 -0.01 0.02 0.00 -0.00 0.02 -0.03 0.03 0.01 0.02 -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 0.01 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 -0.01 -0.15 -0.16 0.08 0.20 0.09 0.06 0.41 0.14 0.17 -0.20 -0.22 0.14 -0.41 0.01 0.22 0.53 -0.01 -0.23 -0.01 -0.01 -0.01 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.01 0.00 -0.01 0.01 -0.04 0.02 0.01 0.03 0.00 -0.00 -0.00 0.08 0.20 -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 -0.06 -0.08 0.04 -0.02 -0.10 0.01 -0.03 -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 -0.01 -0.03 0.00 -0.00 -0.00 0.00 0.02 0.03 0.01 0.02 0.01 0.02 -0.02 -0.03 -0.01 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.05 0.26 0.03 0.13 0.16 -0.12 0.31 -0.25 -0.02 -0.28 0.07 0.28 0.00 0.23 -0.05 0.22 0.11 -0.09 0.20 0.18 -0.00 0.07 0.25 0.08 -0.16 -0.06 -0.28 0.00 0.00 -0.00 0.00 0.00 0.00 -0.01 -0.00 -0.01 -0.00 -0.00 -0.00 0.02 -0.01 -0.01 -0.01 -0.00 0.00 -0.13 -0.21 -0.07 -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 -0.03 -0.02 -0.07 0.00 0.00 -0.00 -0.00 0.01 -0.02 0.01 0.01 0.02 0.02 0.00 0.02 0.01 0.01 0.03 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.03 0.05 -0.02 0.01 -0.03 -0.10 -0.05 -0.00 0.02 -0.00 0.02 0.01 0.02 -0.02 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 0.02 -0.01 -0.03 -0.03 -0.06 0.07 -0.03 -0.04 -0.03 -0.00 -0.03 -0.05 -0.05 0.04 0.04 -0.03 0.07 0.02 0.04 -0.04 -0.08 0.03 -0.09 -0.03 -0.10 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 -0.18 -0.23 0.19 -0.29 -0.08 -0.14 0.48 0.15 0.24 0.35 0.38 -0.29 0.12 0.07 -0.03 0.01 0.04 0.04 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 -0.15 0.24 0.16 0.01 -0.00 -0.00 0.02 -0.03 -0.02 0.06 -0.10 -0.06 0.04 -0.08 -0.03 0.05 -0.06 -0.07 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.02 -0.01 0.01 -0.00 -0.02 -0.02 -0.00 0.00 0.00 0.01 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 0.00 -0.00 0.00 0.00 0.00 -0.14 0.22 0.13 -0.09 0.29 -0.33 -0.02 -0.09 0.42 -0.01 -0.16 -0.27 -0.11 0.06 0.04 -0.06 0.06 -0.12 0.03 -0.02 0.17 -0.03 0.14 0.06 0.27 -0.21 0.08 -0.00 0.01 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.01 -0.00 0.01 0.00 0.00 -0.00 -0.00 -0.01 -0.08 0.02 -0.05 -0.06 -0.07 0.12 0.04 0.06 0.09 0.09 -0.08 0.03 0.02 -0.01 0.01 0.01 0.01 0.01 0.01 0.00 -0.00 0.00 -0.01 -0.00 -0.01 0.00 0.02 0.00 0.04 0.04 0.20 -0.11 -0.01 -0.05 0.05 0.00 -0.00 0.01 -0.07 -0.09 -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 0.02 0.02 0.02 0.02 0.02 0.02 0.02 0.03 0.00 0.01 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 -0.06 -0.07 -0.05 -0.01 0.00 0.01 0.10 0.19 0.08 0.02 -0.06 0.08 -0.05 -0.08 -0.05 -0.00 0.00 0.00 0.00 0.01 -0.01 0.00 0.00 -0.00 -0.00 0.00 0.01 0.00 -0.01 -0.01 0.00 -0.01 0.00 -0.00 0.00 0.01 -0.01 0.01 0.00 0.01 -0.01 0.01 -0.06 -0.07 -0.04 0.04 -0.12 0.02 -0.05 0.04 -0.06 0.01 0.01 -0.09 -0.09 -0.04 0.09 -0.05 -0.07 -0.05 -0.06 -0.06 0.04 -0.01 -0.09 -0.01 0.05 0.03 0.10 0.01 0.01 -0.00 -0.02 -0.00 -0.02 0.03 0.00 0.01 0.04 0.05 -0.04 0.12 -0.02 -0.07 0.08 -0.02 -0.06 -0.41 -0.68 -0.24 -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 0.11 -0.09 0.22 -0.00 0.01 0.00 0.01 -0.03 0.05 -0.02 0.03 -0.06 -0.06 0.04 -0.07 -0.04 0.01 -0.09 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.01 0.01 -0.01 -0.07 -0.02 -0.03 0.01 0.00 0.01 0.00 0.00 0.00 0.03 0.03 -0.02 0.00 0.00 0.00 -0.01 -0.00 -0.00 -0.01 -0.01 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.03 -0.04 0.02 0.09 0.08 -0.08 0.07 0.12 -0.14 -0.02 0.10 0.26 0.14 -0.23 -0.21 0.11 -0.21 0.06 -0.08 0.07 0.19 -0.19 0.24 0.06 0.13 -0.16 0.07 0.01 -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 0.00 0.00 -0.00 0.00 0.01 0.01 0.00 0.00 0.00 -0.01 -0.00 -0.00 -0.00 0.01 -0.00 -0.44 -0.15 -0.20 0.13 0.04 0.06 0.19 0.20 -0.14 -0.07 -0.00 0.03 0.05 0.00 -0.01 0.02 0.03 0.01 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.01 0.01 0.03 -0.00 0.00 0.00 0.00 -0.01 0.02 -0.04 -0.00 -0.01 -0.00 0.02 0.02 -0.01 0.00 -0.00 0.01 0.01 -0.01 0.02 0.01 -0.01 0.02 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.08 -0.04 -0.02 -0.05 -0.06 0.03 0.19 0.14 -0.01 0.05 0.02 0.01 0.04 0.03 -0.01 -0.02 -0.02 -0.01 -0.04 -0.06 -0.03 -0.00 0.00 -0.00 0.00 0.01 -0.00 -0.00 -0.01 0.01 0.01 -0.02 0.05 -0.01 -0.01 0.01 -0.01 -0.02 0.02 0.01 -0.01 -0.07 -0.02 0.04 0.04 -0.02 0.03 -0.05 -0.01 0.02 -0.06 0.04 -0.04 -0.01 -0.01 0.04 -0.03 -0.00 -0.00 -0.00 0.00 -0.01 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.01 -0.00 0.01 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.38 -0.38 0.20 -0.38 -0.17 -0.11 0.06 0.04 0.01 -0.05 -0.06 0.08 -0.42 -0.05 0.18 -0.35 -0.03 0.16 -0.02 -0.04 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.02 0.02 0.01 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.27 -0.16 -0.14 0.00 -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 0.06 -0.09 0.05 0.02 -0.11 0.06 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 0.01 -0.01 0.00 0.01 -0.01 0.01 -0.00 0.00 -0.00 0.00 0.01 0.01 0.01 -0.01 -0.01 0.00 -0.01 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.27 0.24 -0.10 0.11 0.05 -0.07 -0.04 0.02 -0.19 0.11 -0.06 0.14 0.04 -0.15 -0.00 -0.19 0.00 0.31 -0.09 -0.05 -0.40 0.28 -0.06 0.32 0.25 -0.13 -0.12 -0.00 0.00 -0.00 -0.01 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.01 -0.00 -0.00 0.01 -0.00 -0.01 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.01 0.00 -0.01 0.00 -0.03 -0.05 -0.08 -0.01 -0.02 -0.05 0.01 -0.00 0.01 -0.02 0.02 0.01 0.04 0.02 0.00 0.01 0.00 -0.00 0.00 0.00 -0.01 0.01 0.00 -0.01 0.01 -0.00 -0.00 -0.01 -0.01 0.00 -0.01 -0.00 0.00 -0.01 -0.02 -0.00 -0.02 -0.03 -0.02 0.01 0.10 0.01 0.01 0.01 0.01 0.00 0.01 0.03 -0.02 0.08 0.11 0.06 -0.13 -0.01 0.06 0.03 0.07 0.04 -0.03 -0.10 0.02 -0.00 0.06 -0.06 0.00 -0.01 0.02 -0.01 -0.01 0.01 -0.01 -0.01 0.01 0.01 0.01 -0.02 -0.01 0.02 0.02 -0.01 0.01 -0.03 -0.01 0.01 -0.03 0.02 -0.02 -0.00 0.00 0.02 -0.01 0.03 0.01 0.02 -0.04 0.04 0.00 -0.01 0.00 0.04 0.02 -0.01 0.02 0.05 -0.00 -0.04 0.01 0.02 0.03 -0.01 -0.00 -0.02 -0.02 0.00 -0.02 -0.00 0.00 -0.00 -0.15 -0.14 0.07 -0.12 -0.06 -0.04 -0.02 -0.02 -0.03 0.01 -0.01 -0.02 0.52 -0.21 -0.32 0.44 -0.14 -0.42 -0.04 -0.01 -0.08 -0.00 -0.00 0.00 0.00 0.02 0.01 0.01 0.00 0.02 0.06 0.07 0.06 0.02 0.07 -0.02 0.00 0.01 -0.02 -0.06 -0.01 -0.10 0.01 -0.00 0.01 0.00 -0.00 0.00 -0.00 -0.00 0.01 -0.00 -0.00 0.01 0.01 0.01 0.03 0.02 0.00 0.03 0.01 -0.01 0.02 -0.01 0.00 -0.01 -0.02 -0.01 -0.00 0.06 -0.01 0.01 -0.00 0.00 -0.00 0.01 0.02 -0.02 -0.10 -0.14 -0.08 -0.11 -0.00 0.05 -0.07 -0.11 -0.04 0.05 0.14 -0.02 -0.00 -0.07 0.06 0.00 -0.01 0.01 -0.00 -0.00 0.00 -0.00 -0.00 0.01 0.01 0.01 -0.02 -0.00 0.02 0.02 -0.01 0.01 -0.02 -0.01 0.01 -0.02 0.02 -0.01 0.00 0.00 0.01 -0.01 -0.07 -0.03 -0.04 0.10 -0.10 -0.01 0.01 -0.00 -0.09 -0.06 0.04 -0.06 -0.11 0.02 0.10 -0.02 -0.06 -0.07 0.03 0.03 0.06 0.04 0.02 0.05 0.01 -0.00 0.02 -0.07 -0.07 0.04 -0.05 -0.03 -0.02 -0.01 -0.02 -0.02 0.02 0.00 -0.03 0.47 -0.15 -0.27 0.45 -0.11 -0.38 0.12 0.17 0.15 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.01 -0.00 0.02 -0.01 0.01 -0.04 0.01 0.01 0.01 0.24 0.19 -0.07 0.04 -0.00 0.08 -0.14 -0.10 0.01 -0.08 -0.05 0.00 -0.07 -0.06 0.03 -0.07 -0.06 0.02 -0.01 -0.00 -0.03 -0.02 -0.00 -0.02 -0.01 0.00 -0.02 -0.02 -0.02 0.01 -0.05 -0.02 -0.02 -0.01 -0.01 0.01 0.01 0.03 -0.04 0.06 0.02 0.03 -0.01 -0.02 -0.01 -0.00 -0.00 0.00 -0.01 -0.01 -0.02 0.01 0.02 0.01 0.00 -0.01 0.02 -0.01 -0.17 0.27 0.22 0.01 -0.01 0.11 0.17 0.07 0.15 0.21 -0.06 0.20 0.13 0.14 -0.01 -0.11 -0.23 -0.19 0.16 -0.08 0.26 0.04 0.08 0.19 0.13 -0.12 0.05 0.02 0.03 -0.08 0.07 0.01 0.00 -0.00 0.07 0.04 -0.03 0.05 0.07 -0.02 -0.07 0.02 0.04 0.05 -0.04 -0.03 -0.04 -0.04 -0.03 -0.04 -0.01 0.00 -0.02 0.07 0.08 -0.06 0.16 0.05 0.08 0.23 0.10 0.06 0.15 0.10 -0.04 0.00 0.00 -0.00 0.03 0.00 -0.00 -0.02 -0.06 0.00 -0.00 -0.00 -0.00 0.00 0.01 0.00 0.02 -0.02 0.06 -0.05 0.05 -0.15 0.04 0.05 0.05 -0.08 -0.06 0.02 0.14 -0.01 0.29 0.05 0.03 0.00 0.03 0.02 -0.00 0.02 0.02 -0.01 0.02 0.02 -0.01 -0.04 -0.01 -0.09 -0.06 -0.00 -0.08 -0.03 0.01 -0.06 0.01 0.01 -0.01 0.01 0.00 0.00 0.01 -0.01 0.00 -0.01 -0.01 0.01 -0.02 -0.00 -0.01 -0.06 -0.08 -0.05 -0.02 0.00 0.01 -0.05 -0.06 -0.07 0.05 0.09 0.03 0.02 -0.03 0.06 0.00 0.05 -0.09 -0.07 -0.01 0.01 -0.04 -0.06 -0.02 -0.05 -0.07 0.02 -0.07 -0.04 -0.05 0.00 0.04 0.07 0.06 -0.05 0.02 -0.08 -0.02 -0.03 -0.06 -0.04 0.04 0.18 0.07 0.10 -0.27 0.24 0.02 0.00 -0.01 0.25 0.15 -0.09 0.19 0.27 -0.07 -0.24 0.05 0.13 0.17 -0.13 -0.12 -0.15 -0.13 -0.11 -0.14 -0.04 0.00 -0.09 -0.03 -0.04 0.02 -0.06 -0.02 -0.03 -0.08 -0.04 -0.02 -0.04 -0.03 0.00 0.12 -0.03 -0.07 0.11 -0.02 -0.09 -0.08 -0.21 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 -0.06 0.03 -0.11 -0.00 0.00 -0.00 0.13 -0.11 0.29 0.03 0.01 0.01 0.01 -0.02 0.02 -0.00 -0.01 0.03 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.09 0.12 -0.09 -0.12 -0.01 -0.10 0.02 -0.08 0.15 -0.18 -0.06 -0.07 0.09 0.12 -0.11 0.00 0.00 0.00 0.02 0.01 -0.03 0.00 0.00 0.00 -0.00 -0.01 -0.00 0.00 0.00 -0.00 0.02 0.01 0.02 -0.09 -0.08 0.08 -0.07 -0.11 0.07 0.03 0.01 -0.03 -0.06 0.06 0.06 -0.05 0.06 -0.04 0.00 -0.02 -0.07 0.06 -0.08 -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 0.17 0.21 -0.15 -0.27 -0.06 -0.17 0.30 0.07 0.13 -0.29 -0.25 0.18 -0.28 0.01 0.14 0.14 0.06 0.05 -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 -0.01 0.01 -0.00 0.00 -0.00 -0.01 0.01 -0.03 -0.01 -0.01 0.01 0.00 0.01 0.01 0.01 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.05 0.06 -0.04 -0.07 -0.02 -0.04 0.03 -0.06 0.13 -0.01 -0.00 -0.01 0.00 0.01 -0.01 0.00 0.00 0.00 -0.00 0.01 -0.03 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.02 0.03 -0.08 0.03 0.04 -0.03 0.04 0.04 -0.04 -0.01 -0.01 -0.03 -0.01 -0.04 -0.02 0.01 -0.01 -0.04 -0.02 0.04 -0.02 -0.05 0.01 0.01 -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 -0.30 -0.35 0.23 0.44 0.16 0.20 -0.32 -0.11 -0.15 0.25 0.27 -0.20 -0.22 0.02 0.10 0.17 0.06 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 -0.01 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.01 -0.02 -0.00 0.05 0.06 -0.08 0.07 -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 0.03 -0.05 0.06 0.01 -0.07 0.05 -0.05 -0.03 0.07 -0.13 -0.15 -0.29 0.02 -0.29 -0.15 0.14 -0.17 -0.25 0.23 -0.39 -0.02 0.36 -0.20 -0.15 0.40 -0.16 0.19 -0.00 0.00 -0.00 -0.00 0.01 0.00 -0.01 0.00 -0.00 0.00 -0.00 -0.02 0.02 -0.00 -0.01 0.00 0.00 -0.02 -0.00 -0.01 -0.02 -0.02 -0.00 -0.01 -0.01 0.00 -0.02 -0.01 0.00 0.01 0.00 0.01 0.00 -0.02 -0.01 -0.01 0.01 0.01 -0.01 -0.01 0.00 0.00 0.01 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.01 0.01 -0.01 0.00 0.01 0.00 0.00 -0.00 0.01 0.05 -0.08 0.00 -0.04 -0.05 -0.02 0.02 -0.01 0.03 -0.03 0.00 0.04 -0.00 -0.05 -0.00 -0.00 -0.01 -0.01 -0.00 -0.01 0.01 0.01 -0.00 0.01 -0.01 0.02 0.01 0.01 0.00 -0.02 -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 0.08 -0.12 0.33 -0.03 -0.33 0.20 -0.16 -0.10 0.33 0.08 0.11 0.24 -0.00 0.23 0.12 -0.10 0.11 0.22 0.07 -0.11 0.03 0.11 -0.05 -0.04 0.11 -0.06 0.07 -0.06 0.13 -0.06 -0.08 0.12 0.04 -0.15 0.06 0.01 -0.13 0.10 0.19 -0.21 -0.01 0.10 -0.11 -0.08 0.21 0.00 0.02 0.05 0.05 0.02 0.02 0.01 0.00 0.06 -0.03 -0.03 0.01 0.02 0.01 0.00 -0.07 -0.02 -0.04 0.04 0.05 -0.05 -0.03 0.01 0.01 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 0.01 0.01 -0.01 -0.00 0.00 0.00 0.00 0.01 0.03 -0.04 0.00 -0.02 -0.03 -0.01 0.01 -0.00 -0.07 0.07 -0.01 -0.05 0.00 0.05 -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 0.00 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 0.04 -0.07 0.19 -0.02 -0.18 0.11 -0.09 -0.05 0.18 0.05 0.06 0.14 0.00 0.14 0.07 -0.06 0.07 0.13 0.03 -0.06 0.01 0.06 -0.03 -0.02 0.06 -0.03 0.03 0.16 -0.32 0.16 0.18 -0.31 -0.09 0.39 -0.16 0.02 0.18 -0.14 -0.23 0.25 0.01 -0.12 0.14 0.12 -0.25 0.02 0.05 0.03 0.04 -0.01 0.03 0.05 -0.02 0.03 -0.02 -0.02 0.01 0.01 0.01 0.00 -0.04 -0.01 -0.02 0.02 0.03 -0.03 -0.02 0.00 0.01 0.02 0.01 0.01 -0.01 -0.02 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.01 -0.00 -0.01 0.00 0.00 0.03 -0.02 0.00 0.00 -0.00 0.01 -0.01 0.02 -0.00 0.00 -0.00 -0.00 -0.01 0.02 0.00 0.01 0.01 0.00 -0.00 0.00 -0.04 0.05 -0.02 0.04 0.00 -0.06 -0.05 -0.02 -0.07 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.01 0.01 0.01 -0.00 0.00 0.00 -0.01 -0.02 -0.00 -0.00 0.00 -0.01 0.01 0.00 0.02 -0.02 0.03 -0.08 0.01 0.07 -0.05 0.04 0.02 -0.07 -0.03 -0.04 -0.07 -0.01 -0.07 -0.03 0.03 -0.03 -0.07 -0.00 0.00 -0.01 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.12 -0.20 0.11 0.09 -0.24 -0.05 0.25 -0.10 0.08 -0.12 0.11 0.28 -0.27 -0.07 0.13 -0.13 -0.09 0.27 0.08 0.20 0.26 0.28 0.09 0.16 0.15 -0.03 0.35 0.01 0.01 -0.00 -0.00 -0.00 0.00 0.02 0.00 0.01 -0.01 -0.01 0.01 0.01 -0.00 -0.00 -0.01 -0.00 -0.00 -0.10 -0.20 -0.04 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.01 -0.00 0.02 -0.00 0.06 -0.06 -0.01 -0.13 0.11 -0.00 0.00 -0.00 0.01 0.01 0.02 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.02 0.01 -0.01 0.01 -0.01 -0.02 -0.01 -0.01 -0.02 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.03 -0.04 -0.03 0.00 -0.00 -0.00 0.02 0.07 0.00 0.01 0.00 0.02 -0.04 0.00 -0.09 -0.00 0.01 -0.02 0.00 0.02 -0.01 0.01 0.00 -0.01 -0.01 -0.01 -0.01 -0.00 -0.01 -0.01 0.01 -0.01 -0.02 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.07 -0.07 0.06 0.05 -0.08 -0.04 0.13 -0.06 0.03 -0.06 0.04 0.11 -0.09 0.00 0.03 -0.03 -0.02 0.10 0.03 0.06 0.05 0.07 0.04 0.04 0.03 -0.01 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 -0.01 0.00 0.01 -0.01 -0.00 0.00 0.42 0.80 0.16 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -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 0.04 -0.07 0.00 0.05 0.06 0.06 -0.04 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 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.08 -0.11 0.30 -0.03 -0.30 0.18 -0.15 -0.09 0.30 -0.13 -0.16 -0.28 0.00 -0.28 -0.14 0.14 -0.16 -0.24 -0.15 0.27 0.02 -0.24 0.13 0.10 -0.29 0.10 -0.12 0.02 -0.04 0.02 0.02 -0.04 -0.01 0.05 -0.02 0.00 -0.03 0.02 0.03 -0.03 -0.01 0.02 -0.02 -0.02 0.03 -0.01 -0.04 -0.05 -0.05 -0.01 -0.03 -0.03 0.01 -0.06 0.02 0.03 -0.01 0.03 0.01 0.02 0.01 0.00 0.00 0.00 -0.00 0.01 0.01 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.01 0.00 0.01 -0.00 -0.00 -0.01 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 0.01 0.01 0.01 -0.01 0.00 0.04 -0.05 0.00 -0.04 -0.00 0.04 -0.06 -0.03 -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 -0.01 0.00 -0.02 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 -0.02 0.05 -0.01 -0.05 0.03 -0.02 -0.01 0.05 -0.03 -0.03 -0.04 -0.01 -0.04 -0.02 0.03 -0.03 -0.04 -0.02 0.04 0.00 -0.03 0.02 0.01 -0.04 0.02 -0.02 -0.09 0.23 -0.09 -0.10 0.20 0.04 -0.26 0.10 0.00 0.14 -0.12 -0.20 0.21 0.03 -0.11 0.13 0.10 -0.21 0.13 0.26 0.29 0.33 0.15 0.19 0.18 -0.05 0.43 0.00 0.00 -0.00 0.01 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.01 0.02 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 0.01 -0.03 0.05 -0.00 0.00 -0.00 -0.02 0.06 -0.12 -0.01 0.01 -0.03 0.00 0.00 -0.02 -0.01 0.02 -0.01 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.13 0.06 0.03 -0.12 -0.09 0.03 -0.04 0.05 -0.11 -0.13 -0.09 0.02 0.13 0.07 0.01 -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 0.00 -0.02 0.03 0.09 -0.08 0.04 0.00 0.05 0.11 -0.02 -0.02 0.09 -0.02 0.06 0.02 0.01 -0.01 0.06 0.02 -0.02 0.05 0.03 -0.04 -0.05 0.01 -0.08 0.07 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.01 0.00 0.01 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.01 0.00 -0.00 -0.00 -0.01 -0.11 -0.22 0.23 0.34 0.06 0.25 0.36 0.06 0.25 -0.19 -0.29 0.28 0.14 -0.12 -0.03 -0.22 -0.09 -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 -0.00 0.00 -0.01 -0.01 -0.04 0.02 -0.00 0.03 -0.02 0.01 0.01 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.01 -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 0.00 0.00 -0.00 0.14 0.35 0.10 0.07 -0.27 -0.03 -0.09 0.06 0.44 -0.30 0.16 -0.21 0.20 0.11 -0.10 -0.24 -0.24 -0.02 0.13 0.18 0.02 -0.09 -0.22 -0.03 0.27 -0.15 -0.15 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.02 0.02 -0.02 -0.02 -0.03 0.02 -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 -0.01 0.02 0.02 -0.02 -0.01 -0.00 0.01 0.01 0.00 -0.26 -0.31 0.28 -0.27 0.21 0.08 0.19 -0.25 -0.06 0.12 -0.22 -0.23 -0.08 0.27 0.19 0.26 0.34 -0.27 0.02 -0.01 0.02 0.03 0.03 -0.02 -0.02 0.00 -0.03 0.02 -0.02 -0.01 -0.03 0.04 0.00 0.03 0.03 0.04 -0.05 -0.03 0.09 0.04 -0.10 0.03 -0.01 -0.00 -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 -0.01 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 0.00 -0.00 0.00 0.00 0.00 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 0.00 -0.00 0.00 0.00 -0.00 -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 -0.02 -0.01 -0.01 0.00 0.02 0.01 -0.01 -0.00 0.00 -0.00 -0.06 -0.07 -0.02 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.01 -0.02 0.04 -0.00 0.00 0.00 0.01 0.02 -0.02 -0.02 0.03 -0.03 0.01 0.00 0.01 -0.01 -0.02 -0.00 0.01 0.02 0.01 -0.01 -0.01 -0.02 -0.02 0.02 0.01 -0.01 0.01 0.01 0.02 -0.01 -0.00 0.00 -0.02 -0.01 0.00 -0.02 -0.00 0.02 -0.00 -0.00 0.00 0.02 -0.02 -0.01 0.03 0.02 -0.03 0.01 -0.01 0.00 -0.02 -0.00 -0.01 0.01 -0.00 -0.01 0.01 0.03 0.00 0.02 -0.06 -0.07 0.05 0.15 0.70 -0.14 0.35 0.19 0.52 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 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 0.00 0.00 0.01 -0.01 0.01 0.00 0.01 -0.01 -0.02 -0.02 -0.00 -0.01 -0.01 -0.00 0.02 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 0.01 -0.00 0.00 -0.00 -0.00 -0.01 -0.00 0.02 -0.04 -0.07 0.10 0.00 0.00 -0.01 0.01 0.06 0.04 0.05 0.03 -0.10 -0.06 -0.03 -0.05 0.08 -0.11 -0.03 0.05 0.09 0.04 -0.06 -0.04 -0.08 -0.09 0.07 0.24 0.14 0.20 0.26 0.06 -0.19 -0.17 0.06 0.01 0.05 -0.04 -0.05 -0.05 0.12 0.00 0.07 0.08 0.10 -0.30 -0.22 0.39 0.27 -0.30 0.19 -0.23 0.10 -0.20 0.01 0.01 -0.01 -0.01 0.00 -0.00 -0.00 0.00 -0.00 0.01 0.01 -0.01 -0.01 -0.05 0.01 -0.02 -0.01 -0.03 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 0.01 -0.01 -0.01 -0.00 0.00 -0.00 0.02 -0.01 -0.00 -0.02 0.01 -0.01 -0.00 -0.00 0.01 -0.02 -0.01 -0.01 0.00 0.02 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 -0.00 -0.06 0.10 0.16 -0.24 -0.01 -0.01 0.03 -0.01 -0.13 -0.02 -0.02 -0.17 0.31 0.05 0.05 0.06 -0.11 0.25 0.02 -0.04 -0.13 -0.08 0.02 0.02 0.09 0.07 -0.05 0.18 0.18 0.16 0.19 -0.05 -0.13 -0.12 0.05 0.12 -0.05 0.05 0.11 0.10 -0.25 -0.00 -0.11 -0.12 -0.19 -0.14 -0.20 -0.08 0.09 0.27 0.04 -0.30 0.16 0.17 -0.01 -0.02 0.01 0.01 -0.00 0.01 0.00 -0.00 0.00 -0.01 -0.01 0.01 0.01 0.03 -0.01 0.01 0.01 0.02 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.01 0.02 -0.00 0.00 -0.00 0.02 -0.01 -0.00 -0.03 0.01 -0.01 0.00 0.00 0.01 0.00 0.00 0.02 0.01 -0.02 -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 -0.01 0.00 0.00 0.00 -0.00 0.00 -0.01 0.00 -0.00 0.01 0.00 0.01 0.00 -0.08 0.14 0.18 -0.27 -0.03 0.00 0.05 0.01 -0.14 -0.00 0.00 -0.23 0.37 0.03 0.04 0.05 -0.11 0.27 -0.01 0.02 -0.15 -0.11 -0.06 -0.03 0.07 0.01 0.01 -0.06 -0.22 -0.04 -0.04 0.19 0.00 0.05 -0.03 -0.27 -0.11 0.04 -0.18 0.01 0.26 -0.06 -0.03 -0.01 0.17 -0.01 0.06 0.21 0.05 -0.30 0.05 0.13 -0.08 -0.18 -0.01 -0.02 0.01 0.01 -0.00 0.00 -0.00 -0.00 0.00 -0.01 -0.01 0.01 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.01 -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 0.01 0.00 -0.00 -0.00 0.00 -0.03 0.00 -0.03 -0.00 0.00 -0.00 0.01 -0.00 -0.00 -0.01 0.00 -0.00 0.00 -0.00 0.00 0.01 -0.00 -0.02 -0.02 -0.01 -0.02 -0.00 0.01 0.01 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.01 -0.00 0.02 -0.00 -0.00 0.00 0.01 -0.00 0.02 -0.01 0.01 -0.02 -0.01 -0.02 -0.01 -0.03 0.05 0.10 -0.14 -0.01 -0.00 0.01 -0.01 -0.08 0.01 0.01 -0.11 0.16 -0.00 0.01 0.01 -0.03 0.11 0.00 -0.01 -0.05 -0.04 -0.00 -0.00 0.03 0.02 -0.01 -0.01 0.24 -0.03 -0.06 -0.26 0.07 -0.02 0.03 0.35 0.38 -0.21 0.19 -0.29 -0.05 0.15 0.33 0.33 0.07 0.06 0.08 0.05 -0.05 -0.17 -0.02 0.14 -0.08 -0.13 -0.01 -0.01 0.01 0.01 -0.00 0.00 -0.00 -0.00 0.00 -0.01 -0.01 0.01 0.01 0.03 -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 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.01 0.01 0.00 0.00 0.00 -0.01 0.00 -0.01 0.02 0.03 0.01 -0.00 -0.01 0.01 -0.02 -0.02 -0.02 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.01 0.01 -0.00 -0.00 -0.00 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 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.14 -0.21 0.11 -0.22 0.15 -0.10 -0.21 -0.29 -0.23 0.15 0.17 -0.10 0.05 -0.13 -0.06 -0.12 0.17 -0.03 0.11 -0.21 0.30 0.29 0.36 0.23 -0.07 0.23 -0.22 0.00 -0.02 0.00 0.00 0.02 -0.01 0.00 -0.00 -0.03 -0.02 0.01 -0.03 0.01 0.04 -0.01 -0.01 -0.01 0.02 -0.01 0.00 0.03 0.01 -0.03 0.01 0.01 -0.00 -0.02 -0.03 -0.03 0.03 0.02 0.01 0.02 -0.00 -0.01 0.01 -0.02 -0.02 0.02 0.01 0.02 -0.01 0.00 0.00 0.01 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.01 0.02 0.03 -0.01 -0.01 -0.00 -0.00 -0.00 0.00 0.00 -0.01 0.00 -0.01 0.01 -0.00 -0.00 0.02 0.01 0.02 -0.02 -0.00 -0.03 0.01 0.02 -0.01 -0.01 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.01 0.00 -0.01 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -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 -0.02 -0.03 0.01 0.02 0.02 0.01 0.11 0.13 -0.02 -0.04 -0.11 -0.06 -0.10 0.14 -0.08 0.02 -0.03 -0.22 -0.16 0.00 0.01 0.15 0.07 -0.04 -0.19 0.06 -0.16 -0.24 -0.24 0.19 0.15 -0.04 0.25 -0.08 0.00 -0.27 -0.01 0.37 -0.06 0.01 0.04 0.24 -0.16 -0.19 -0.01 0.12 0.18 0.06 -0.27 0.14 0.12 -0.00 -0.00 0.00 -0.01 -0.00 -0.00 -0.01 -0.01 0.00 -0.01 -0.01 0.01 0.01 0.01 -0.00 -0.00 0.00 0.01 -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 0.02 -0.03 0.01 -0.00 -0.01 0.00 0.00 0.00 -0.00 -0.00 0.01 -0.01 0.02 -0.02 0.00 0.00 -0.03 0.01 0.01 -0.01 -0.00 -0.01 0.00 0.01 -0.00 -0.01 -0.01 -0.01 0.00 -0.00 0.00 -0.00 0.01 -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 0.03 -0.05 -0.03 0.02 0.05 -0.03 -0.03 -0.04 -0.03 -0.23 -0.28 0.02 0.12 0.24 0.13 0.22 -0.32 0.19 -0.03 0.06 0.42 0.30 0.00 -0.01 -0.30 -0.13 0.08 -0.10 0.03 -0.09 -0.13 -0.12 0.10 0.08 -0.02 0.12 -0.03 -0.00 -0.12 -0.01 0.17 -0.03 0.01 0.02 0.11 -0.08 -0.10 0.01 0.07 0.08 0.04 -0.14 0.07 0.05 0.01 0.01 -0.01 0.01 0.01 0.00 0.02 0.01 -0.00 0.02 0.02 -0.02 -0.02 -0.02 0.01 0.00 -0.00 -0.01 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.03 0.02 0.01 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.03 0.03 0.01 -0.02 -0.00 -0.01 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 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.27 -0.42 -0.31 0.43 0.18 -0.09 -0.26 -0.23 0.17 -0.01 -0.01 -0.18 0.28 0.04 0.04 0.04 -0.08 0.23 0.01 -0.01 -0.22 -0.17 -0.02 -0.00 0.13 0.05 -0.03 0.01 0.00 0.01 0.01 0.00 -0.01 -0.01 0.00 -0.00 0.01 -0.01 -0.00 -0.01 0.01 0.00 0.01 0.01 0.01 0.00 0.00 0.01 0.00 -0.01 0.00 0.01 -0.00 -0.00 -0.01 -0.02 0.00 -0.02 -0.00 -0.00 -0.01 -0.00 -0.00 -0.01 -0.01 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.01 0.01 0.02 -0.02 -0.04 -0.01 -0.01 -0.01 -0.01 -0.02 -0.04 -0.00 0.00 0.00 0.00 -0.01 -0.01 -0.01 -0.01 0.00 0.00 -0.00 -0.01 -0.00 -0.02 -0.01 0.00 0.00 -0.03 -0.01 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 -0.02 -0.01 -0.03 0.00 0.00 -0.00 -0.03 0.01 -0.07 0.02 -0.02 0.06 0.04 0.06 0.02 -0.07 0.10 -0.08 0.12 -0.08 0.06 0.10 0.14 0.12 0.02 0.02 -0.07 0.09 -0.02 -0.00 -0.01 0.00 0.07 0.04 -0.07 0.07 0.07 0.10 0.06 -0.02 0.07 -0.07 0.25 0.07 0.21 0.28 0.07 -0.20 -0.17 0.07 -0.05 0.08 -0.07 -0.19 -0.17 0.35 0.02 0.13 0.16 0.31 0.14 0.07 -0.26 -0.16 0.23 -0.11 0.07 -0.01 0.16 -0.00 -0.00 0.00 -0.02 -0.01 -0.01 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.01 0.00 -0.00 -0.00 -0.00 -0.03 -0.07 -0.02 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 0.00 -0.04 -0.03 -0.01 0.01 0.01 0.00 0.01 0.00 0.01 -0.02 -0.02 -0.02 -0.01 -0.00 0.01 -0.01 -0.01 -0.01 0.01 0.00 -0.00 -0.00 0.01 0.00 -0.00 0.01 -0.01 0.00 0.00 -0.01 0.01 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.01 0.00 0.01 0.00 -0.00 0.00 0.01 -0.00 0.03 -0.01 0.01 -0.02 -0.01 -0.02 -0.01 -0.15 0.23 -0.21 0.32 -0.20 0.14 0.23 0.33 0.31 0.07 0.09 -0.18 0.22 -0.06 -0.02 -0.04 0.05 0.15 0.10 -0.17 0.16 0.16 0.24 0.16 -0.03 0.18 -0.16 -0.08 -0.02 -0.07 -0.09 -0.02 0.06 0.05 -0.02 0.01 -0.02 0.02 0.06 0.05 -0.11 -0.00 -0.04 -0.05 -0.10 -0.05 -0.02 0.10 0.06 -0.09 0.04 -0.02 0.00 -0.06 -0.02 -0.01 0.01 -0.05 -0.02 -0.03 -0.02 -0.01 -0.00 -0.01 -0.01 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.01 0.02 0.01 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.02 0.02 -0.04 -0.01 -0.06 0.06 0.11 0.01 0.00 0.00 -0.00 -0.00 -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 -0.02 -0.00 0.01 0.00 -0.02 -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 0.04 0.04 0.04 -0.00 -0.00 0.00 0.10 -0.05 0.24 -0.07 0.08 -0.20 -0.10 -0.17 -0.07 -0.00 0.00 0.01 -0.02 0.01 -0.00 -0.00 -0.01 -0.02 -0.01 -0.01 0.01 -0.01 0.01 0.00 0.01 -0.01 -0.00 -0.00 0.01 0.00 0.00 -0.01 -0.01 -0.00 -0.01 0.01 0.20 -0.04 0.17 0.22 0.18 -0.18 -0.16 0.06 -0.18 -0.02 -0.02 -0.27 -0.05 0.37 -0.05 0.03 0.07 0.28 0.13 0.07 -0.26 -0.15 0.24 -0.12 0.09 -0.01 0.23 -0.01 -0.01 0.00 -0.00 -0.00 -0.00 -0.01 -0.00 -0.00 -0.01 -0.00 0.01 -0.00 0.01 -0.00 0.02 -0.00 0.00 0.05 0.12 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 -0.03 -0.02 0.01 0.00 -0.00 0.00 0.12 0.09 -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 -0.06 -0.10 0.10 -0.10 -0.01 -0.07 0.14 0.07 0.02 -0.10 -0.00 -0.09 -0.05 -0.07 0.07 0.00 -0.00 0.00 -0.03 -0.02 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.02 -0.00 -0.00 0.00 -0.02 -0.02 0.01 0.04 0.05 -0.04 0.04 -0.04 -0.02 -0.04 0.05 0.04 0.03 -0.05 -0.04 -0.03 0.04 0.02 0.04 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 0.34 0.35 -0.20 0.39 0.16 0.14 0.39 0.16 0.11 0.29 0.27 -0.17 -0.05 -0.01 0.00 -0.00 -0.01 0.02 0.00 0.00 0.00 -0.00 -0.00 -0.01 -0.00 -0.01 0.01 -0.05 0.15 -0.24 -0.01 -0.00 -0.02 0.08 0.24 -0.06 0.00 0.00 -0.00 0.00 -0.04 0.04 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.01 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 0.10 -0.20 0.37 0.01 -0.00 -0.00 -0.04 0.20 -0.24 0.05 -0.15 0.22 -0.12 -0.33 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 0.02 -0.04 0.01 0.01 0.11 -0.02 -0.07 0.03 -0.09 -0.02 0.00 -0.13 0.07 0.09 -0.05 -0.03 -0.02 0.04 0.01 0.01 -0.05 -0.02 0.03 -0.03 0.04 -0.00 0.09 -0.01 -0.01 0.01 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.02 0.00 -0.01 0.00 0.01 0.27 0.37 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 0.02 -0.02 0.04 0.00 -0.00 0.00 -0.12 0.10 -0.27 -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 -0.01 -0.11 0.16 0.16 -0.02 0.19 0.08 -0.15 0.31 -0.13 0.03 -0.17 0.03 0.15 -0.21 0.00 -0.00 0.00 -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 -0.01 0.04 0.01 -0.00 -0.01 0.01 0.03 -0.00 0.01 0.02 0.00 -0.00 -0.03 -0.02 -0.01 0.02 -0.00 0.01 -0.01 -0.02 -0.04 0.02 0.00 0.02 0.01 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.24 0.16 -0.02 -0.36 -0.21 -0.04 0.21 0.14 -0.03 -0.31 -0.20 0.04 -0.20 -0.13 0.09 0.14 0.03 -0.05 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.05 0.16 -0.25 0.02 0.11 -0.07 -0.09 -0.26 0.05 0.00 0.00 0.00 0.00 -0.02 0.02 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.01 -0.01 0.00 -0.01 -0.00 0.01 -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 -0.00 -0.00 0.00 0.04 -0.38 0.43 -0.01 0.00 0.01 0.02 -0.13 0.15 -0.02 0.22 -0.21 0.13 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 0.00 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 0.11 -0.00 -0.06 0.02 -0.07 -0.01 -0.00 -0.09 0.08 0.06 -0.05 -0.01 -0.01 -0.01 0.00 0.02 0.00 0.01 0.01 -0.00 0.02 0.00 0.05 -0.00 -0.01 0.01 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.02 -0.00 -0.00 0.03 -0.01 -0.03 -0.21 -0.31 -0.20 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.02 -0.01 0.00 -0.00 -0.00 0.00 0.16 0.10 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 -0.22 -0.18 0.07 -0.25 -0.12 -0.05 -0.18 -0.11 0.02 0.28 0.13 0.06 0.21 0.18 -0.09 0.00 -0.01 0.01 0.02 0.02 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.01 0.01 -0.02 0.00 0.01 -0.00 0.00 -0.00 -0.00 0.01 0.01 0.00 0.01 0.00 -0.00 -0.02 0.02 0.03 0.02 -0.03 0.00 0.01 0.01 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 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.15 0.25 -0.23 0.27 0.06 0.18 -0.33 -0.06 -0.22 -0.19 -0.25 0.23 0.01 -0.01 0.01 0.03 0.01 -0.03 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.01 0.00 0.02 0.02 -0.04 0.02 0.01 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.09 -0.05 -0.01 -0.00 0.07 0.09 0.07 -0.06 0.01 0.19 -0.14 0.02 0.02 0.12 -0.20 -0.26 -0.17 0.00 0.45 0.31 -0.00 -0.02 -0.22 0.35 0.01 -0.34 -0.41 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.01 -0.00 -0.00 -0.00 -0.01 0.01 -0.01 0.00 0.02 -0.02 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 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.01 0.01 -0.03 -0.01 -0.03 -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 -0.30 -0.18 -0.02 -0.01 0.23 0.30 0.24 -0.20 0.03 -0.30 0.23 -0.03 -0.03 -0.20 0.33 0.42 0.28 0.00 0.14 0.10 -0.00 -0.01 -0.07 0.11 0.00 -0.10 -0.13 -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 -0.01 0.00 -0.03 0.03 -0.01 0.01 -0.00 -0.02 -0.01 -0.02 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 0.01 0.02 -0.03 0.01 0.02 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 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.37 -0.23 -0.03 -0.02 0.29 0.39 0.31 -0.26 0.04 0.20 -0.15 0.02 0.02 0.13 -0.21 -0.27 -0.18 -0.00 -0.21 -0.14 0.00 0.01 0.10 -0.17 -0.01 0.16 0.20 0.01 0.00 -0.01 0.00 0.00 0.00 -0.00 -0.01 0.00 0.02 0.03 -0.00 -0.01 -0.00 -0.02 0.04 -0.04 0.01 0.02 -0.02 0.01 -0.01 0.00 0.01 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 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -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 0.01 0.00 -0.00 0.01 0.01 0.01 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.01 -0.01 -0.00 -0.00 0.01 0.01 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.01 -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 -0.41 -0.02 0.52 -0.17 -0.06 -0.28 0.26 0.52 -0.03 -0.05 -0.09 0.01 0.03 0.01 0.06 -0.06 0.07 -0.02 -0.10 0.09 -0.02 0.10 -0.01 -0.13 -0.08 -0.18 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 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.04 -0.01 0.02 0.02 0.01 0.02 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.04 0.02 0.00 0.00 -0.03 -0.04 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.01 -0.01 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.02 0.00 -0.02 0.01 0.00 0.01 -0.01 -0.02 0.00 0.26 0.49 -0.03 -0.16 -0.05 -0.27 0.33 -0.37 0.07 -0.20 0.19 -0.04 0.18 -0.01 -0.25 -0.16 -0.35 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 -0.00 -0.00 -0.00 0.00 0.00 0.01 -0.01 -0.01 -0.02 -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 0.02 0.01 0.00 0.00 -0.02 -0.03 0.00 -0.00 0.00 0.02 -0.02 0.00 -0.00 -0.02 0.04 0.06 0.04 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.15 -0.00 0.19 -0.06 -0.02 -0.10 0.08 0.17 -0.01 0.17 0.31 -0.02 -0.11 -0.04 -0.19 0.23 -0.25 0.05 0.28 -0.26 0.06 -0.25 0.02 0.35 0.20 0.45 -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 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.02 -0.06 -0.02 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -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 -0.01 0.28 0.00 0.50 -0.09 0.76 -0.30 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 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 0.02 0.01 0.01 -0.01 -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 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.20 -0.12 -0.01 0.01 -0.12 -0.17 -0.00 0.01 0.00 -0.04 0.03 -0.00 -0.00 -0.05 0.08 -0.09 -0.06 -0.00 0.57 0.38 -0.01 -0.01 0.05 -0.12 -0.03 0.39 0.48 -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 0.01 -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 0.03 0.03 0.02 -0.07 -0.03 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 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.33 -0.20 -0.02 0.02 -0.16 -0.23 -0.06 0.06 -0.00 0.27 -0.22 0.03 0.02 0.25 -0.42 0.52 0.34 0.01 -0.03 -0.02 -0.00 -0.00 -0.03 0.06 0.00 0.01 0.01 0.00 -0.00 -0.01 0.00 0.00 0.00 0.00 0.00 -0.00 -0.01 -0.01 0.00 0.00 0.00 0.01 0.00 -0.00 -0.00 0.02 -0.01 0.00 0.02 -0.00 -0.02 -0.02 -0.04 0.01 0.01 -0.00 0.01 -0.00 -0.01 0.01 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -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 -0.04 -0.03 -0.02 0.02 -0.02 -0.02 -0.02 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.50 0.30 0.02 -0.03 0.33 0.46 -0.05 0.02 -0.01 0.12 -0.10 0.01 0.01 0.13 -0.22 0.27 0.18 0.01 0.20 0.13 -0.01 -0.00 -0.02 0.02 -0.01 0.17 0.20 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.01 -0.01 0.00 0.01 -0.00 -0.01 -0.01 -0.02 0.00 0.00 -0.00 0.00 0.00 0.01 -0.01 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.04 0.03 0.01 0.02 -0.02 0.01 0.01 0.02 -0.07 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 0.15 0.10 0.01 0.00 -0.14 -0.19 0.37 -0.31 0.05 -0.18 0.14 -0.01 0.01 0.09 -0.15 -0.02 -0.02 0.00 -0.15 -0.10 -0.01 -0.02 -0.35 0.56 -0.01 0.22 0.24 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.03 -0.05 0.00 0.01 0.00 0.01 0.03 -0.03 0.01 -0.02 0.02 -0.01 -0.00 -0.00 0.01 0.02 0.04 -0.01 -0.02 0.00 -0.02 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 -0.06 0.04 0.01 -0.00 -0.01 0.01 -0.01 -0.02 0.05 -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 0.22 0.15 0.02 -0.00 -0.16 -0.22 0.48 -0.41 0.07 -0.04 0.03 -0.00 0.01 0.09 -0.15 0.08 0.05 0.00 0.14 0.09 0.01 0.01 0.29 -0.46 0.00 -0.16 -0.18 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.05 -0.09 0.01 0.01 0.01 0.02 0.05 -0.05 0.01 -0.01 0.01 -0.00 0.00 -0.00 -0.00 0.01 0.02 -0.00 0.02 -0.00 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 -0.02 0.01 0.00 -0.05 0.05 -0.04 0.00 0.00 -0.01 -0.00 -0.00 0.00 -0.00 0.01 -0.00 -0.00 0.01 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.09 0.06 0.01 -0.00 -0.06 -0.08 0.18 -0.15 0.03 0.56 -0.43 0.04 -0.05 -0.29 0.50 0.06 0.06 -0.01 -0.03 -0.02 -0.00 -0.00 -0.07 0.10 -0.00 0.04 0.05 0.03 -0.00 -0.04 0.00 -0.00 0.00 0.02 0.05 -0.00 -0.06 -0.11 0.01 0.01 0.01 0.02 0.06 -0.06 0.01 0.06 -0.06 0.02 0.03 0.00 -0.04 -0.04 -0.09 0.02 -0.02 0.00 -0.03 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -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 -0.06 -0.05 0.04 0.00 0.00 0.00 0.01 0.01 -0.01 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 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 -0.01 0.01 -0.00 -0.06 0.05 -0.00 0.00 0.02 -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 0.39 0.00 -0.50 -0.02 -0.01 -0.01 0.31 0.65 -0.02 0.00 0.00 -0.00 -0.01 -0.00 -0.01 0.00 -0.00 0.00 0.05 -0.04 0.01 -0.10 0.01 0.14 -0.06 -0.14 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 -0.01 0.01 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.01 0.01 -0.00 0.01 -0.08 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 0.04 0.03 0.00 -0.00 -0.03 -0.04 0.11 -0.09 0.02 0.03 -0.02 0.00 -0.00 -0.01 0.02 0.01 0.01 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.04 0.00 0.05 -0.00 -0.00 -0.01 -0.03 -0.07 0.00 0.29 0.52 -0.03 0.05 -0.00 0.08 -0.42 0.44 -0.09 0.16 -0.14 0.03 -0.14 0.02 0.19 -0.14 -0.30 0.05 -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 -0.00 0.00 0.00 -0.01 0.00 -0.00 0.00 -0.00 -0.00 -0.01 -0.01 0.01 0.00 -0.04 0.00 -0.04 -0.05 0.05 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.01 0.01 0.00 -0.00 -0.01 -0.01 0.04 -0.03 0.01 0.07 -0.06 0.01 -0.00 -0.02 0.03 0.02 0.01 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.09 -0.00 -0.11 -0.01 -0.01 -0.02 0.07 0.15 -0.01 0.16 0.28 -0.02 0.02 -0.00 0.03 -0.21 0.22 -0.05 -0.16 0.12 -0.02 0.33 -0.03 -0.45 0.25 0.55 -0.09 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 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 0.01 0.00 -0.07 0.06 0.02 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 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 -0.10 0.08 -0.01 0.00 0.02 -0.03 -0.02 -0.02 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.01 -0.00 -0.01 0.00 0.00 0.00 0.00 0.00 0.00 -0.03 -0.06 0.00 -0.02 -0.00 -0.03 0.04 -0.05 0.01 0.59 -0.54 0.14 0.31 -0.01 -0.44 -0.07 -0.12 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 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 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 -0.08 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 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.02 0.00 -0.02 0.41 0.02 0.72 0.06 -0.52 0.20 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.01 -0.06 -0.01 -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 0.01 -0.02 0.02 -0.00 -0.02 0.01 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.03 0.00 -0.03 -0.07 -0.02 -0.11 -0.01 -0.02 0.00 0.09 0.19 -0.02 0.44 0.15 0.78 0.22 -0.25 0.04 0.01 -0.01 0.00 0.00 -0.00 -0.01 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.04 -0.03 -0.08 -0.01 -0.00 -0.01 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.15 -0.01 0.18 0.49 0.14 0.78 0.10 0.21 -0.02 0.02 0.04 -0.00 0.06 0.02 0.11 0.02 -0.03 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.01 0.00 0.01 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -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 0.03 -0.00 0.00 -0.00 0.00 0.00 0.00 0.01 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 -0.01 0.00 -0.00 0.00 0.01 -0.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.01 -0.02 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 -0.29 0.04 -0.33 -0.00 -0.01 0.01 -0.14 -0.53 0.70 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 -0.00 -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 0.00 -0.00 -0.06 0.01 -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 -0.01 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 0.04 -0.00 0.04 0.03 0.14 -0.18 -0.01 -0.02 0.02 0.65 -0.08 0.72 0.01 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 -0.05 0.01 -0.06 0.00 0.00 -0.00 0.00 0.00 0.00 0.01 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 0.01 -0.00 0.00 -0.00 -0.01 0.02 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.02 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 0.59 -0.07 0.66 -0.01 -0.03 0.04 -0.07 -0.26 0.35 -0.03 0.00 -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 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.01 0.05 -0.07 -0.00 -0.00 0.00 -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 0.01 0.00 0.00 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 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 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 -0.02 -0.14 -0.59 0.76 0.00 0.02 -0.02 0.15 -0.02 0.16 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.02 0.04 -0.08 -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 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.25 -0.42 0.87 17 16 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 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 49 17 16 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 1 1 34.96885 31.97207 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 1.00783 1.00783 364.13761 0.99985 -0.01528 -0.00832 0.01532 0.99987 0.0047 0.00824 -0.00483 0.99995 asymmetric 1 0.01186 0.00956 0.00663 0.24707 0.19915 0.13821 1063676.1 30.32 50.88 68.32 74.34 86.56 103.53 119.15 130.07 157.68 218.25 248.57 267.65 296.14 312.50 335.09 338.08 366.66 386.22 396.82 413.18 436.62 445.85 468.08 493.07 498.16 500.04 509.40 537.53 545.29 558.14 575.02 601.89 630.80 639.64 669.70 686.61 698.11 760.78 797.76 807.34 816.80 906.83 921.53 930.10 942.55 948.58 973.68 1099.81 1115.67 1140.83 1180.35 1215.94 1225.41 1228.62 1236.39 1295.07 1312.13 1344.08 1348.70 1353.91 1355.31 1362.63 1396.73 1407.51 1412.72 1429.72 1488.74 1507.15 1507.99 1516.72 1520.04 1597.86 1620.92 1635.53 1664.08 1680.19 1727.49 1749.64 1755.20 1759.90 1763.81 1779.53 1794.61 1817.06 1834.74 1848.87 1849.52 1910.96 1947.81 2009.17 2011.77 2013.53 2018.94 2022.52 2045.13 2050.26 2069.20 2107.73 2119.92 2122.66 2123.62 2125.66 2128.35 2128.78 2131.90 2145.02 2146.15 2152.18 2164.89 2165.64 2174.90 2218.62 2294.18 2306.79 2339.98 2369.10 4342.16 4344.85 4355.11 4375.47 4380.94 4390.57 4430.34 4432.24 4437.17 4442.40 4451.70 4453.37 4456.74 4463.59 4475.21 4484.87 4506.62 4518.82 4524.11 4533.04 4550.58 4561.41 4579.28 4609.95 4614.74 0.405133 0.429749 0.430693 0.351211 -1782.148066 -1782.123450 -1782.122506 -1782.201989 269.671 95.962 167.285 0.000 0.000 0.000 0.889 2.981 43.570 0.889 2.981 35.112 267.894 90.000 88.602 1 0.593 1.985 6.530 2 0.594 1.982 5.503 3 0.595 1.979 4.920 4 0.596 1.977 4.753 5 0.597 1.973 4.452 6 0.598 1.967 4.099 7 0.600 1.961 3.823 8 0.602 1.956 3.651 9 0.606 1.942 3.276 10 0.619 1.901 2.651 11 0.626 1.876 2.405 12 0.632 1.859 2.267 13 0.640 1.832 2.080 14 0.646 1.815 1.982 15 0.654 1.791 1.857 16 0.655 1.787 1.841 17 0.665 1.755 1.697 18 0.673 1.731 1.606 19 0.677 1.718 1.560 20 0.684 1.698 1.491 21 0.695 1.667 1.398 22 0.699 1.655 1.363 23 0.709 1.625 1.283 24 0.722 1.590 1.200 25 0.724 1.583 1.183 26 0.725 1.580 1.177 27 0.730 1.567 1.148 28 0.745 1.526 1.065 29 0.749 1.515 1.043 30 0.756 1.496 1.008 31 0.766 1.471 0.964 32 0.781 1.430 0.898 33 0.799 1.386 0.832 34 0.804 1.373 0.812 35 0.823 1.327 0.750 36 0.834 1.301 0.718 37 0.841 1.283 0.696 38 0.884 1.186 0.590 39 0.910 1.130 0.535 40 0.917 1.115 0.522 41 0.924 1.101 0.509 0.634522e+25 24.802446 57.109743 0.220745e+10 9.343890 21.515102 0.100000e+01 0.000000 0.000000 0.273119e+09 8.436352 19.425419 0.105246e+08 7.022204 16.169222 ./ancestor::cml:module[@dictRef='cc:finalization']/cml:molecule[@id='mol9999'] 4.7165 -0.7993 3.2181 5.7654 -167.6512 -148.5567 -164.7522 7.3574 -5.5423 4.5365 -7.3312 11.7633 -4.4321 7.3574 -5.5423 4.5365 41.6798 18.8866 4.5568 -5.2406 8.3063 18.4953 8.5222 -18.3340 16.2613 -31.4970 -5854.3740 -4202.7007 -1430.6954 31.2953 15.3556 105.0930 11.1316 15.8465 12.6038 -1793.8257 -1231.4401 -1026.5446 44.6469 20.1402 16.9501 (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A) (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(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 -1782.5531992 1.331E-9 2.819E-6 0.4051328 0.4297488 -1782.1234504 -1782.1225062 -1782.2019886 -4.436161,7.9344421,-3.4982811,-6.2261991,-5.5318496,0.0173723 C01 [X(C19H25Cl1N2O1S1)] 1.5735656 0.9566003 1.3243566 -0.0768238 -0.0730314 -0.0381464 -0.1608619 -0.4132051 -0.5287986 -0.147717 -0.4814522 -0.6142839 -0.3984395 -0.2132908 0.1172987 0.0678405 -0.3320308 -0.0541439 0.2615101 -0.034186 -0.0270139 -1.1077794 0.2471069 -0.7816408 0.3790323 -0.8207327 0.4634791 -0.8937017 0.3820188 -1.9621366 -0.466916 0.4746838 0.0001248 -0.1582719 -0.4486652 -0.5965783 -0.5386198 0.8708926 -0.6546816 -0.0508449 -0.5144349 -0.0179946 -0.0012385 -0.099568 0.0390621 0.3863565 -1.0371514 -0.3353072 0.235404 -0.0347209 -0.0180161 0.0060508 0.2511645 -0.0410656 -0.059065 -0.1475584 0.2179499 0.5034988 -0.2013331 -0.0646892 -0.2279585 1.198589 0.0954617 -0.0635591 0.0529308 0.3354619 -0.0973056 0.1203748 0.0616326 0.1560962 0.425481 0.0664145 0.0538279 0.0544779 -0.0703346 0.0586588 -0.0050424 -0.0350363 0.0002257 0.0295021 0.0528954 -0.0380774 0.0331705 0.0160441 0.0433007 -0.0529469 0.0345777 -0.0219727 -0.0004478 -0.0226296 0.0782034 0.0636576 0.0273324 0.0205495 0.0626459 -0.0210527 -0.0481435 -0.0128918 0.0071931 -0.0200428 0.0331883 0.1026837 -0.0441935 -0.025502 -0.0513076 0.0380844 -0.1376045 -0.0282785 0.0020963 -0.050669 0.0506139 -0.0282925 0.0424823 0.0731291 0.0551447 -0.1336973 -0.0006798 0.0619156 -0.0610571 -0.0330374 0.0505757 0.0000012 -0.0201194 0.0091429 -0.0363015 -0.0770043 -0.0245628 -0.0587536 0.0059187 -0.1240311 0.0525122 0.1065783 -0.0376803 -0.2520215 0.0374174 0.1454879 0.1233409 -0.0082131 -0.1604867 -0.0799399 0.0676907 -0.083473 -0.1960901 -0.082373 0.032828 -0.1490843 -0.02744 -0.1017419 0.1459715 0.0709441 0.1152902 -0.0918307 -0.0452335 0.0834223 -0.1365765 -0.1258058 -0.1351586 0.006031 0.0663247 -0.0049344 0.0084429 -0.0275099 0.1290445 -0.0660258 0.0405439 -0.1279961 0.023809 0.1107762 0.0031433 0.0095426 0.0180288 0.0491955 0.0094315 -0.0340824 1.1074027 -0.2933826 1.0109138 -0.5167054 0.5385458 -0.6625768 1.1004688 -0.5139829 2.1596718 0.5464217 0.2830218 -0.2908273 0.208807 0.2404515 0.0095254 -0.4599782 0.1211336 0.234917 0.2920461 -0.3258666 0.1410757 -0.5256016 0.4518042 -0.0362606 0.05549 0.1152631 -0.0862983 -0.1753244 0.1824019 -0.1682651 0.7394013 0.2480925 1.2775172 0.098856 0.6755179 0.5847738 -0.0965172 0.2596397 0.0496847 0.1526829 -0.3553764 -0.0548141 -0.0051001 0.0691144 0.2566631 0.0692786 -0.0989245 -0.0071592 -0.0851787 -0.2299553 0.0150159 -0.0165562 -0.0254369 0.0728305 0.024616 0.0638414 0.107435 0.0658592 0.0345465 -0.0935458 0.0867125 -0.0577673 -0.1595374 -0.2021654 0.0090041 -0.0644529 -0.004675 0.0869956 0.0170741 -0.0409294 0.0266701 0.0402233 -0.2139631 0.0041606 0.0177167 -0.0176551 0.0855144 -0.023952 -0.0269497 -0.0199313 0.0574942 0.0570144 0.050285 -0.0666477 0.05251 0.03389 0.1166026 -0.0300746 0.088183 -0.1631113 0.0745609 -0.0668734 0.0092827 -0.0763603 -0.2720356 -0.0588488 0.0047524 -0.0655422 0.0663808 -0.0026195 -0.1183042 -0.0051258 -0.1287179 -0.2365495 -0.0129833 -0.0091133 -0.0148538 0.103057 0.0114116 0.0388424 -0.0570367 0.0582288 0.0478234 0.1176258 -0.1059328 0.114793 -0.1247442 -0.0364337 0.0449219 0.087093 0.0744099 0.0393353 -0.110817 0.1396339 -0.1015038 -0.0982928 -0.0322593 -0.0402564 0.0698508 -0.0743191 0.0557943 0.1090191 0.1156737 0.0991949 -0.0684276 0.0383057 -0.0495 -0.0508346 -0.0627597 0.1058397 -0.0680738 -0.0914543 -0.0709013 -0.0504975 0.0273237 0.1107728 0.0064162 0.0910669 -0.1727 0.0072632 0.0012627 0.0100977 0.1266275 0.0951402 0.0344966 0.0188078 0.0662858 -0.202427 0.0267713 0.0090272 0.0510281 0.1056984 0.0756485 -0.0229316 -0.0333961 -0.0284238 0.1180349 -0.0826079 0.0046933 -0.0536974 -0.1095614 -0.1639429 0.0059083 -0.0024344 0.0312271 0.1008684 0.0311472 -0.0400531 0.0323613 0.0545753 -0.1587629 -0.0008172 -0.0579169 0.0065365 0.1004661 -0.0158125 -0.040508 -0.0344079 0.0424785 0.0238714 -0.0721685 0.0981778 -0.0662625 0.0512504 0.0718744 0.0845754 0.0425944 -0.108011 0.0854199 0.0844257 -0.0147457 0.0826282 -0.1753785 0.0029431 -0.0193076 0.0281913 0.0748262 0.0934407 -0.0546428 -0.1201532 -0.0674278 0.089303 -0.0566534 -0.1253509 -0.070578 0.0051472 0.156056 0.0397928 -0.0765551 0.0119732 0.0717114 0.0990484 -0.0737291 0.0998611 0.0044797 0.1543487 0.0085105 -0.0552911 0.0276223 0.0109646 0.1157138 -0.0713018 0.1204543 -0.0028292 0.0927258 -0.0831877 -0.1436574 -0.0599564 0.0543551 -0.0740319 -0.110075 -0.0385891 0.0311361 0.010997 -0.1033899 0.0100545 -0.0559387 0.0609234 0.0107258 0.0507703 -0.0612524 -0.1080178 -0.0682417 0.0836513 -0.0149342 -0.0145753 -0.0114884 0.0378162 0.0684031 0.0356167 0.0986143 0.1222224 0.0511922 -0.058149 0.0298017 0.0817651 0.0096371 -0.0524478 -0.0022253 0.0555217 359.6589186|-7.5692662|456.8516969|45.4344033|-3.2724904|400.813394 -0.000000768 -0.000002567 -0.000001967 0.000004834 0.000000194 -0.000003321 -0.000000008 0.000000812 0.000003632 0.000001810 -0.000005375 -0.000001661 -0.000000344 -0.000000783 0.000003712 -0.000003120 0.000000408 0.000000151 -0.000003170 0.000003263 0.000003977 0.000001273 0.000002416 0.000000031 -0.000002487 0.000000938 0.000000841 -0.000000239 0.000000186 -0.000000242 0.000001458 0.000002533 -0.000002608 0.000002500 -0.000001594 0.000005504 -0.000000255 -0.000001227 0.000004459 0.000002249 -0.000004395 0.000002355 -0.000000402 0.000003159 -0.000004403 -0.000001487 -0.000000330 -0.000002015 0.000003991 0.000001508 0.000000864 -0.000000276 -0.000001992 -0.000006579 -0.000000648 0.000004863 -0.000004423 -0.000002117 0.000001176 0.000000638 -0.000001068 0.000000192 -0.000005244 -0.000001192 -0.000002481 -0.000008669 0.000004133 0.000002148 0.000004107 0.000006134 -0.000004811 -0.000000560 -0.000002636 0.000002170 0.000001365 -0.000003044 0.000002979 -0.000000707 -0.000002822 0.000001387 0.000001813 -0.000000324 -0.000000278 0.000001366 0.000000440 -0.000000364 -0.000000060 -0.000000567 -0.000000348 0.000001029 -0.000001675 0.000002038 -0.000001452 -0.000000398 0.000001352 -0.000002990 -0.000001310 0.000002887 -0.000003285 -0.000000035 -0.000003482 0.000005271 -0.000001026 -0.000000520 0.000005311 -0.000001229 -0.000001890 0.000007080 -0.000003146 -0.000000052 0.000003905 -0.000002658 0.000000001 0.000002797 -0.000000891 0.000000135 0.000003216 -0.000000631 -0.000002066 0.000002559 0.000001041 -0.000004191 0.000004255 -0.000000214 -0.000002275 0.000005234 0.000001733 -0.000001322 -0.000003536 -0.000001333 0.000004255 -0.000001394 0.000002828 -0.000000092 -0.000004771 0.000000402 0.000003279 -0.000002588 0.000002082 0.000001565 -0.000004699 0.000002379 -0.000000510 -0.000006608 0.000002236 -0.000002897 -0.000001691 339.7340999999997 AuxInfo=1/0/N:6;7;8;9;10;11;12;13;14;15;16;17;18;19;20;21;22;23;24;1;4;5;3;2;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/rA:49nCl0S0O0N0N0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:-1.7901,-2.7244,-1.6957;-.071,-3.4585,1.0709;-2.7261,.0522,-1.642;-1.96,.6111,.4641;-1.3661,.279,1.6168;2.983,2.3897,-.1721;-2.387,2.0735,.3379;2.5827,.9081,-.2241;2.5663,3.1536,-1.44;2.2969,3.0506,1.0445;4.5155,2.5087,-.0205;-3.9071,2.1412,.1296;-1.6073,2.7041,-.8263;-2.0356,2.8217,1.6275;2.9473,.0471,.8274;1.8429,.3561,-1.2739;1.8305,-1.8335,-.2189;2.5803,-1.2921,.8334;1.4723,-.9907,-1.2713;-2.1533,-.276,-.5976;1.3326,-3.2454,-.1704;-.9486,-1.9357,.7754;-1.6054,-1.6105,-.3764;-.8891,-.9218,1.7726;2.8817,4.1971,-1.3542;3.0353,2.7351,-2.3352;1.483,3.1456,-1.5844;1.2088,2.9845,.9596;2.5947,2.5727,1.9812;2.5715,4.1086,1.1025;4.8067,3.5631,.0114;4.872,2.0365,.8979;5.0272,2.0393,-.8661;-4.4266,1.6576,.961;-4.2195,1.6752,-.802;-4.2058,3.1918,.1062;-1.8429,3.7699,-.8671;-1.8633,2.2588,-1.7854;-.533,2.5969,-.6616;-.9643,2.8125,1.8289;-2.5598,2.4146,2.4927;-2.3503,3.8589,1.4922;3.5205,.4313,1.663;1.5312,.9693,-2.1089;2.8603,-1.9232,1.6706;.8869,-1.3809,-2.0968;.9833,-3.5891,-1.1421;2.0836,-3.941,.2073;-.4039,-1.1173,2.7201; Gaussian 16 6-Sep-2024 Gaussian 16 3-Jul-2019 EM64L-G16RevC.01 141 C1[X(C19H25ClN2OS)] RB3LYP 6-311+G(d,p) SP #P B3LYP 6-311+G(d,p) EmpiricalDispersion=gd3 scrf=(smd,Solvent=Water) 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 0 339.7340999999997 AuxInfo=1/0/N:6;7;8;9;10;11;12;13;14;15;16;17;18;19;20;21;22;23;24;1;4;5;3;2;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/rA:49nCl0S0O0N0N0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:-1.7901,-2.7244,-1.6957;-.071,-3.4585,1.0709;-2.7261,.0522,-1.642;-1.96,.6111,.4641;-1.3661,.279,1.6168;2.983,2.3897,-.1721;-2.387,2.0735,.3379;2.5827,.9081,-.2241;2.5663,3.1536,-1.44;2.2969,3.0506,1.0445;4.5155,2.5087,-.0205;-3.9071,2.1412,.1296;-1.6073,2.7041,-.8263;-2.0356,2.8217,1.6275;2.9473,.0471,.8274;1.8429,.356,-1.2739;1.8305,-1.8335,-.2189;2.5803,-1.2921,.8334;1.4723,-.9907,-1.2713;-2.1533,-.276,-.5976;1.3326,-3.2454,-.1704;-.9486,-1.9357,.7754;-1.6054,-1.6105,-.3764;-.8891,-.9218,1.7726;2.8817,4.1971,-1.3542;3.0353,2.7351,-2.3352;1.483,3.1456,-1.5844;1.2088,2.9845,.9596;2.5947,2.5727,1.9812;2.5715,4.1086,1.1025;4.8067,3.5631,.0114;4.872,2.0365,.8979;5.0272,2.0394,-.8661;-4.4266,1.6576,.961;-4.2195,1.6752,-.802;-4.2058,3.1918,.1062;-1.8429,3.7699,-.8671;-1.8633,2.2588,-1.7854;-.533,2.5969,-.6616;-.9643,2.8125,1.8289;-2.5598,2.4146,2.4927;-2.3503,3.8589,1.4922;3.5205,.4313,1.663;1.5312,.9693,-2.1089;2.8603,-1.9232,1.6706;.8869,-1.3809,-2.0968;.9833,-3.5891,-1.1421;2.0836,-3.941,.2073;-.4039,-1.1173,2.7201; oldchk=opt-b3lyp-pople.chk #P B3LYP 6-311+G(d,p) EmpiricalDispersion=gd3 scrf=(smd,Solvent=Water) 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=1,74=-5,116=-2,124=31/1,2,3 4/5=1/1 5/5=2,38=6,53=1/2 6/7=2,8=2,9=2,10=2,28=1/1 99/5=1,6=200,9=1/99 Wavefunction Pyridaben CONF131 water 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 49 35 32 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 1 1 34.9688527 31.9720718 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 1.0078250 1.0078250 3 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 1 1 14.2400000 13.6000000 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 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 718 A 694 A 694 1095 718 97 97 2546.9867254233 49 49 49 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 -0.0673851206 PCM SMD-Coulomb. Total charges None On-the-fly selection Water 78.355300 1.777849 0.000000 3.338854 0.000000 2.930614 5.170514 0.000000 3.977306 4.527429 2.309786 0.000000 4.491434 3.993011 3.538527 1.338544 0.000000 7.159497 6.713685 6.341872 5.291675 5.154573 0.000000 5.245138 6.041848 2.849670 1.528720 2.428612 5.403465 0.000000 5.872109 5.271249 5.561145 4.604083 4.401936 1.535637 5.135331 0.000000 7.320848 7.548521 6.137559 5.529727 5.750753 1.537852 5.372440 2.553651 0.000000 7.587017 6.926467 6.437300 4.940603 4.628895 1.545127 4.836676 2.506221 2.501198 0.000000 8.363727 7.604872 7.816955 6.765171 6.499574 1.544520 6.925478 2.517763 2.496088 2.519847 0.000000 5.611327 6.852567 2.982787 2.498874 3.483730 6.901216 1.535790 6.615331 6.737502 6.336743 8.431938 0.000000 5.500672 6.628440 2.991595 2.483991 3.450759 4.647327 1.536528 4.598211 4.242349 4.343120 6.178638 2.553395 0.000000 6.470139 6.603791 4.340090 2.499190 2.629375 5.348938 1.531764 5.330863 5.540477 4.377542 6.762377 2.491864 2.493610 0.000000 6.040729 4.632391 6.187575 4.952964 4.391165 2.547130 5.727223 1.407075 3.864797 3.080737 3.039269 7.201063 5.526145 5.759147 0.000000 4.781800 4.869480 4.593887 4.189020 4.319695 2.578743 4.841464 1.397930 2.894373 3.583548 3.653473 6.182158 4.197281 5.435074 2.393896 0.000000 4.010452 2.814229 5.132708 4.561890 4.248645 4.377932 5.776053 2.842938 5.186942 5.066384 5.109120 6.988594 5.725149 6.326699 2.424606 2.430551 0.000000 5.248608 3.432073 6.007724 4.936863 4.319252 3.837814 6.020542 2.441129 4.993291 4.357038 4.349697 7.373536 6.021576 6.233796 1.388621 2.775038 1.400878 0.000000 3.718804 3.736042 4.341915 4.166331 4.243816 3.862321 5.183948 2.436142 4.289561 4.730177 4.803206 6.380395 4.830429 5.936540 2.767144 1.396754 1.395132 2.397514 0.000000 2.707863 4.153056 1.235598 1.396926 2.414796 5.802447 2.539628 4.895959 5.894586 5.793667 7.249788 3.073643 3.038250 3.815778 5.305742 4.101965 4.294205 5.048429 3.756294 0.000000 3.514182 1.885869 5.432616 5.110412 4.785246 5.871796 6.510352 4.337831 6.639355 6.484204 6.577390 7.520632 6.668511 7.168451 3.800432 3.801094 1.497842 2.525754 2.513014 4.599069 0.000000 2.726935 1.782246 3.599292 2.757850 2.405677 5.921544 4.281820 4.642850 6.569924 5.955595 7.088176 5.078431 4.952414 4.953827 4.371813 4.152620 2.953431 3.587597 3.308034 2.467956 2.795345 0.000000 1.736481 2.804255 2.371172 2.401596 2.756905 6.090743 3.833157 4.889410 6.421166 6.242826 7.386438 4.430470 4.337966 4.883139 4.992399 4.069832 3.446767 4.368615 3.264588 1.459490 3.368568 1.365143 0.000000 4.011205 2.756122 3.997841 2.282239 1.301465 5.453549 3.643362 4.403219 6.234574 5.144025 6.647757 4.603235 4.518505 3.917854 4.068218 4.286942 3.491916 3.613287 3.853096 2.762758 3.756344 1.423333 2.367569 0.000000 8.357618 8.556172 6.979329 6.293507 6.497849 2.162070 5.927258 3.490601 1.093494 2.722189 2.701682 7.246831 4.760120 5.912837 4.688948 3.979888 6.225983 5.916755 5.376458 6.777304 7.693620 7.537772 7.403968 7.085153 0.000000 7.314365 7.720842 6.393194 6.107457 6.404917 2.191181 6.081519 2.828366 1.093826 3.473762 2.756863 7.390892 4.881740 6.436149 4.151498 2.864987 5.177153 5.144442 4.178055 6.245581 6.584197 6.882142 6.652634 6.756331 1.767315 0.000000 6.721739 7.285499 5.223880 4.740688 5.155737 2.194542 4.452118 2.840024 1.092916 2.753612 3.470939 5.744533 3.212369 4.775031 4.190584 2.829703 5.174614 5.171281 4.148050 5.089483 6.547191 6.107380 5.798050 5.782675 1.764979 1.772544 0.000000 6.973903 6.569798 5.554318 3.989979 3.792282 2.186833 3.761168 2.756801 2.762180 1.093438 3.481513 5.250974 3.346386 3.316399 3.415856 3.507063 4.998873 4.492896 4.565990 4.935468 6.332726 5.375562 5.551450 4.507930 3.102069 3.775454 2.563763 0.000000 7.797792 6.656594 6.913177 5.186016 4.591436 2.195673 5.269450 2.763082 3.470354 1.092937 2.774944 6.774074 5.055272 4.650412 2.799012 4.009376 4.983932 4.031717 4.953436 6.108047 6.330292 5.859608 6.379535 4.938838 3.721077 4.341918 3.778561 1.770291 0.000000 8.575701 8.015247 7.214657 5.759728 5.516731 2.179037 5.414151 3.464513 2.715931 1.094563 2.756735 6.840293 4.811952 4.812143 4.088061 4.501073 6.132174 5.407373 5.731070 6.666158 7.565407 7.002242 7.234730 6.142445 2.477792 3.730836 3.054731 1.772259 1.769621 0.000000 9.271684 8.614940 8.473680 7.396435 7.173923 2.176268 7.353544 3.471413 2.700638 2.762013 1.094356 8.829823 6.525194 7.069479 4.060191 4.552063 6.167178 5.404207 5.787903 7.971817 7.645735 7.996493 8.248099 7.460438 2.443839 3.054452 3.710461 3.765436 3.123162 2.546363 0.000000 8.589349 7.393136 8.253529 6.992600 6.520665 2.199528 7.280700 2.788087 3.468484 2.771434 1.092476 8.813307 6.737930 6.990240 2.768941 4.088600 5.047280 4.041753 5.042540 7.545767 6.447226 7.047926 7.541977 6.535064 3.701616 3.783489 4.344802 3.784384 2.578244 3.102839 1.766581 0.000000 8.358066 7.744013 8.041469 7.254679 7.080760 2.187020 7.511415 2.769049 2.761722 3.482396 1.094163 8.990200 6.667809 7.530765 3.341030 3.624881 5.063266 4.469213 4.688521 7.549294 6.485514 7.362453 7.586337 7.122738 3.081815 2.571024 3.781681 4.336639 3.782691 3.766592 1.772107 1.770806 0.000000 5.762902 6.719940 3.499217 2.725113 3.420163 7.531418 2.172805 7.148131 7.543450 6.866820 9.035937 1.093121 3.498286 2.741579 7.548929 6.781996 7.261689 7.603527 6.840622 3.366888 7.647765 5.004262 4.519793 4.452656 8.075915 8.228367 6.604242 5.789501 7.153777 7.416233 9.475532 9.306538 9.636292 0.000000 5.104615 6.860933 2.360051 2.800153 3.992770 7.265229 2.194529 6.869612 6.974217 6.911222 8.809375 1.087469 2.807627 3.462118 7.527873 6.222162 7.018144 7.597133 6.302704 2.849245 7.445627 5.121071 4.220274 4.946181 7.555902 7.490402 5.940721 5.855241 7.415177 7.460951 9.257271 9.256121 9.254078 1.775232 0.000000 6.639542 7.890065 3.886201 3.439743 4.339390 7.238754 2.147594 7.169873 6.946455 6.571575 8.748876 1.092514 2.803495 2.676007 7.847039 6.821477 7.861099 8.166080 7.185507 4.090658 8.496344 6.111306 5.482439 5.540689 7.305858 7.655208 5.934821 5.485340 7.081326 6.911187 9.020576 9.185194 9.355278 1.770087 1.767779 0.000000 6.547176 7.690597 3.898976 3.429905 4.310873 5.067342 2.150786 5.309358 4.488817 4.616290 6.537349 2.811950 1.092368 2.675625 6.298977 5.040377 6.731526 6.934014 5.815294 4.066713 7.732017 6.004293 5.407987 5.467193 4.768846 5.198412 3.459208 3.642368 5.407279 4.845735 6.710559 7.156161 7.084753 3.805134 3.168597 2.620013 0.000000 4.984495 6.637581 2.373584 2.790093 3.967581 5.109521 2.194750 4.901907 4.532300 5.093433 6.623194 2.803224 1.088009 3.463252 5.904264 4.197374 5.731107 6.261966 4.685051 2.814212 6.566422 4.998759 4.125903 4.870768 5.143775 4.952364 3.467662 4.183266 5.844652 5.606188 7.029830 7.253590 6.955057 3.804521 2.618971 3.152089 1.768425 0.000000 5.564677 6.315255 3.499488 2.692032 3.355243 3.556001 2.170311 3.570826 3.243719 3.335449 5.089809 3.495453 1.092074 2.747357 4.564117 3.322840 5.040944 5.201136 4.154965 3.298874 6.152559 4.773039 4.351270 4.293408 3.834153 3.943734 2.284034 2.410907 4.094833 3.877522 5.467966 5.653368 5.591844 4.321458 3.802530 3.799017 1.770346 1.773974 0.000000 6.615245 6.379454 4.771822 2.774909 2.573847 4.445699 2.189352 4.519133 4.823674 3.362727 5.791436 3.463854 2.734081 1.090056 4.894010 4.852034 5.795701 5.513889 5.478378 4.103632 6.780179 4.863666 4.983681 3.735480 5.180889 5.774346 4.213176 2.346880 3.570324 3.835327 6.096830 5.960854 6.615064 3.751559 4.337185 3.690345 2.992848 3.765376 2.536767 0.000000 6.674126 6.535150 4.764912 2.779837 2.598593 6.150147 2.188489 6.007920 6.503039 5.107799 7.508932 2.733947 3.465098 1.090535 6.221446 6.148879 6.683864 6.550812 6.482403 4.117539 7.367366 4.946701 5.034274 3.800174 6.898273 7.397074 5.788005 4.108224 5.182179 5.579647 7.857525 7.610371 8.305685 2.530645 3.762530 3.001506 3.693139 4.337241 3.753769 1.773247 0.000000 7.335945 7.675733 4.945232 3.428945 3.714816 5.776913 2.126359 5.998918 5.767881 4.738228 7.158927 2.689028 2.694632 1.092309 6.560240 6.124086 7.267135 7.160854 6.765202 4.637137 8.173078 6.004662 5.827608 5.006921 5.965763 6.701999 4.966716 3.703459 5.132873 4.943533 7.314550 7.472371 7.956121 3.072252 3.677719 2.410130 2.414853 3.679692 3.087723 1.769006 1.769494 0.000000 7.031514 5.327320 7.077268 5.612995 4.889164 2.737118 6.273098 2.160602 4.236812 2.956408 2.852988 7.774620 6.136473 6.048583 1.083738 3.383189 3.395164 2.131325 3.850648 6.148363 4.654708 5.134581 5.882450 4.613851 4.867586 4.639927 4.697257 3.515329 2.354590 3.838886 3.767010 2.233511 3.354425 8.071756 8.217752 8.351026 6.805476 6.649591 5.150224 5.080479 6.449153 6.800314 0.000000 4.984473 5.681800 4.379965 4.351702 4.769850 2.806559 4.749596 2.159088 2.508039 3.855123 3.954391 5.996634 3.808510 5.487602 3.387808 1.081794 3.393719 3.856292 2.132187 4.172532 4.643289 4.786146 4.415314 4.949718 3.579452 2.330622 2.239131 3.685200 4.520084 4.609803 4.685305 4.619623 3.861559 6.737476 5.939436 6.539060 4.557493 3.645607 3.000816 5.013130 6.324552 6.031921 4.298145 0.000000 5.796558 3.362955 6.788510 5.577937 4.766005 4.691660 6.729346 3.418076 5.961260 5.044593 5.024023 8.043114 6.899650 6.818035 2.144942 3.860105 2.153731 1.085207 3.383927 5.744027 2.733349 3.912743 4.922434 3.882151 6.827038 6.146301 6.179318 5.226696 4.514466 6.065338 6.053176 4.508129 5.179941 8.150134 8.317806 8.862285 7.808456 7.193426 6.114325 6.089287 6.990656 7.785572 2.445332 4.941375 0.000000 3.021968 3.907470 3.913426 4.316431 4.650012 4.724011 5.345992 3.409163 4.879952 5.611988 5.710253 6.351760 4.952011 6.330359 3.851709 2.146652 2.149899 3.385480 1.084676 3.565310 2.717716 3.453482 3.037142 4.282205 5.970371 4.649112 4.594225 5.338755 5.931156 6.573279 6.652256 6.043891 5.509549 6.842262 6.090314 7.190176 5.957821 4.572542 4.460845 6.035168 6.881100 7.128576 4.935260 2.436926 4.287419 0.000000 2.957329 2.454742 5.221935 5.374389 5.300297 6.378565 6.753816 4.860603 6.932457 7.112807 7.135641 7.639947 6.812806 7.608022 4.578021 4.039848 2.156882 3.424758 2.647208 4.594682 1.088277 3.184730 3.346965 4.372086 8.017117 6.754996 6.767615 6.905056 7.093639 8.174004 8.191624 7.136618 6.936054 7.824162 7.409267 8.629298 7.887844 6.535614 6.387195 7.321191 7.861854 8.574655 5.519956 4.691842 3.769565 2.407659 0.000000 4.484056 2.370812 6.519090 6.094038 5.629817 6.405502 7.495123 4.893737 7.299314 7.044721 6.896668 8.537359 7.671172 8.044734 4.127393 4.551517 2.164923 2.766790 3.356223 5.659570 1.091051 3.679392 4.402278 4.516834 8.324900 7.206960 7.334126 7.020895 6.770242 8.113831 7.985285 6.631933 6.751386 8.619413 8.502274 9.510115 8.719489 7.614812 7.095419 7.584722 8.196115 9.063557 4.827083 5.457108 2.610726 3.646218 1.776326 0.000000 4.899327 2.883000 5.078260 3.240115 2.023089 5.668780 4.448517 4.657257 6.661067 5.241533 6.697655 5.440714 5.350529 4.401419 4.021062 4.813643 3.760736 3.534907 4.412218 3.843864 3.987362 2.179102 3.357851 1.082357 7.459133 7.226724 6.345149 4.746062 4.811837 6.227330 7.509559 6.411079 7.233372 5.193960 5.895993 6.313149 6.230913 5.816151 5.024750 4.068381 4.144149 5.482657 4.349307 5.605132 3.522167 4.993852 4.790628 4.524842 0.000000 C19H25ClN2OS 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 0 339.7340999999997 AuxInfo=1/0/N:6;7;8;9;10;11;12;13;14;15;16;17;18;19;20;21;22;23;24;1;4;5;3;2;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/rA:49nCl0S0O0N0N0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:-3.2571,-.8624,-1.5615;-2.3649,-2.5231,1.1943;-2.1148,1.8364,-1.5746;-1.1005,1.7683,.4995;-.8376,1.1379,1.6507;3.7544,-.1875,-.2798;-.4547,3.1444,.337;2.471,-1.0308,-.2798;3.9064,.6472,-1.5624;3.7202,.775,.9285;4.9845,-1.1136,-.1597;-1.5538,4.2014,.1544;.5074,3.0865,-.8597;.3475,3.4845,1.5968;2.2084,-1.9058,.7903;1.5164,-.964,-1.2989;.0912,-2.5827,-.1782;1.0463,-2.6641,.8434;.3467,-1.7256,-1.2489;-1.8687,1.2218,-.5313;-1.2155,-3.3081,-.0782;-2.0218,-.8047,.869;-2.3362,-.1378,-.2799;-1.2717,-.0752,1.8339;4.837,1.2195,-1.5139;3.9497,.0135,-2.453;3.086,1.3584,-1.6868;2.8596,1.4466,.8655;3.6576,.2298,1.8737;4.6288,1.3849,.9496;5.9024,-.5177,-.165;4.9691,-1.6938,.7659;5.0277,-1.8132,-.9999;-2.235,4.193,1.0093;-2.1276,4.0502,-.7569;-1.0815,5.1853,.1047;1.0363,4.0398,-.9283;-.0116,2.9131,-1.8001;1.2454,2.2953,-.7114;1.1494,2.7689,1.7789;-.2854,3.5368,2.4833;.7951,4.4678,1.436;2.9198,-1.9899,1.6035;1.6618,-.3072,-2.1462;.8655,-3.3132,1.6941;-.3777,-1.6378,-2.0515;-1.7373,-3.3436,-1.0325;-1.1022,-4.3227,.3067;-1.0065,-.5335,2.7779; 0.2470728 0.1991458 0.1382076 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= 694 RedAO= T EigKep= 1.23D-06 NBF= 694 NBsUse= 692 1.00D-06 EigRej= 6.18D-07 NBFU= 692 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= 709 709 709 709 709 MxSgAt= 49 MxSgA2= 49. 1 Closed 1 1 1 -1782.55319924097 -1782.55319924095 0.000000000020 -1782.55319924 2 1.776683963904e+03 -9.281372252102e+03 3.175203624899e+03 Using DIIS extrapolation, IDIIS= 1040. NGot= 11324620800 LenX= 11323575936 LenY= 11323059694 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. PT915.300S Fri Sep 6 04:42:10 2024 -101.57336 -88.86228 -19.10699 -14.41383 -14.37293 -10.30186 -10.26478 -10.24215 -10.23221 -10.22685 -10.20935 -10.18496 -10.18447 -10.18058 -10.17336 -10.17334 -10.17038 -10.16965 -10.15515 -10.15471 -10.15395 -10.14973 -10.14940 -10.14796 -9.48816 -7.94813 -7.25282 -7.24327 -7.24218 -5.91231 -5.90852 -5.90149 -1.08001 -1.03226 -0.90977 -0.87484 -0.86846 -0.83079 -0.81391 -0.80230 -0.77946 -0.74822 -0.73499 -0.69538 -0.69132 -0.68402 -0.67981 -0.67899 -0.66177 -0.63380 -0.60627 -0.59361 -0.58405 -0.56428 -0.54725 -0.51148 -0.49808 -0.49007 -0.47936 -0.47020 -0.46505 -0.45444 -0.44504 -0.44381 -0.44052 -0.43626 -0.42953 -0.42505 -0.42217 -0.42165 -0.41233 -0.39559 -0.39339 -0.39036 -0.38569 -0.38371 -0.38014 -0.37375 -0.36932 -0.36411 -0.35994 -0.35653 -0.35073 -0.34695 -0.34270 -0.34077 -0.33147 -0.32501 -0.32227 -0.32035 -0.31353 -0.29963 -0.27407 -0.26262 -0.25288 -0.24661 -0.23942 -0.08337 -0.02871 -0.02625 -0.01226 -0.01024 0.00294 0.01307 0.01653 0.02044 0.02260 0.02801 0.03368 0.03505 0.03967 0.04280 0.04747 0.05256 0.05444 0.05559 0.05737 0.05779 0.06233 0.06981 0.07556 0.07602 0.07825 0.07981 0.08123 0.08544 0.08771 0.09126 0.09292 0.09575 0.10057 0.10175 0.10744 0.10845 0.11076 0.11474 0.11785 0.12035 0.12356 0.12765 0.13045 0.13140 0.13497 0.13698 0.14013 0.14198 0.14463 0.14904 0.15019 0.15415 0.15700 0.15967 0.16414 0.16596 0.16603 0.16843 0.17088 0.17281 0.17387 0.17959 0.18117 0.18668 0.18871 0.19221 0.19317 0.19716 0.19794 0.19935 0.20179 0.20565 0.20889 0.21202 0.21377 0.21499 0.21917 0.21969 0.22215 0.22419 0.22865 0.22987 0.23233 0.23323 0.23651 0.23822 0.24032 0.24096 0.24485 0.25148 0.25366 0.25393 0.25583 0.25924 0.26026 0.26230 0.26304 0.26573 0.27094 0.27161 0.27556 0.27686 0.27830 0.28002 0.28233 0.28480 0.28651 0.28847 0.29337 0.30069 0.30093 0.30546 0.30629 0.31229 0.31474 0.31589 0.31951 0.32232 0.32457 0.32975 0.33277 0.33545 0.33763 0.34040 0.34421 0.35120 0.35432 0.35859 0.35894 0.36302 0.36858 0.36970 0.37299 0.37555 0.38196 0.38595 0.39168 0.39767 0.40196 0.40668 0.40807 0.41819 0.42106 0.42845 0.43636 0.43976 0.44948 0.45810 0.46891 0.47058 0.47704 0.48416 0.49119 0.49626 0.50248 0.50860 0.51417 0.52389 0.52872 0.53339 0.53637 0.54376 0.55181 0.55510 0.55908 0.56416 0.56870 0.57078 0.57528 0.57956 0.58144 0.58957 0.59185 0.59653 0.60003 0.60656 0.61123 0.61637 0.62506 0.62998 0.63475 0.63637 0.64667 0.65467 0.65558 0.65763 0.66402 0.66718 0.67418 0.67667 0.67940 0.68191 0.68550 0.68823 0.69559 0.69849 0.70310 0.70732 0.71335 0.71708 0.72370 0.72888 0.73054 0.73554 0.73846 0.74161 0.74406 0.74745 0.75226 0.75982 0.76425 0.76730 0.77021 0.77182 0.77754 0.78387 0.78710 0.79699 0.79749 0.80142 0.80641 0.81053 0.81588 0.82283 0.83557 0.84458 0.84879 0.85172 0.85749 0.86064 0.86345 0.87625 0.87859 0.88525 0.89073 0.89912 0.90164 0.90799 0.91416 0.92175 0.92678 0.93097 0.93730 0.94397 0.94983 0.95504 0.96334 0.96946 0.97838 0.98201 0.99081 0.99838 1.00355 1.01778 1.02134 1.02999 1.03763 1.04410 1.05328 1.06873 1.07256 1.07991 1.08423 1.08574 1.09386 1.10761 1.12113 1.12592 1.14015 1.14700 1.15147 1.16635 1.17118 1.17956 1.18891 1.19036 1.19855 1.20728 1.21527 1.22717 1.23445 1.24911 1.25239 1.26316 1.27281 1.27840 1.29505 1.30472 1.31394 1.32819 1.34118 1.35935 1.36747 1.37849 1.38847 1.40584 1.41923 1.42908 1.45109 1.46074 1.46323 1.46650 1.47866 1.48133 1.48295 1.48490 1.49793 1.51045 1.51159 1.51428 1.52814 1.52883 1.53168 1.53317 1.54862 1.55484 1.55845 1.56718 1.57111 1.57784 1.58260 1.58560 1.59459 1.59878 1.60453 1.61082 1.61633 1.62969 1.63898 1.64456 1.64777 1.65474 1.66246 1.66857 1.67261 1.68266 1.68538 1.68621 1.69450 1.70040 1.70382 1.71253 1.71934 1.72394 1.72830 1.73392 1.73798 1.75458 1.75647 1.76649 1.77247 1.77336 1.78497 1.79359 1.79500 1.79800 1.80222 1.81431 1.81652 1.82282 1.83371 1.83804 1.85233 1.85948 1.86423 1.87299 1.87481 1.88655 1.90237 1.91864 1.92028 1.93436 1.94249 1.95109 1.95534 1.96365 1.97088 1.98504 1.98653 2.00374 2.00751 2.01465 2.02741 2.03246 2.03834 2.04548 2.04865 2.06311 2.06657 2.07099 2.08727 2.09211 2.10494 2.11099 2.12082 2.13382 2.13916 2.14955 2.15957 2.17404 2.17577 2.20066 2.20860 2.21856 2.22312 2.23194 2.23834 2.24817 2.25983 2.26580 2.27218 2.30160 2.31415 2.33264 2.33777 2.34808 2.35224 2.37657 2.39209 2.40045 2.43003 2.43860 2.44331 2.45246 2.45663 2.46207 2.47364 2.48515 2.49482 2.50850 2.50954 2.51812 2.52783 2.53457 2.54487 2.54833 2.55082 2.55493 2.56063 2.56262 2.56868 2.57105 2.57882 2.58354 2.59739 2.60318 2.61107 2.61616 2.62581 2.63060 2.63599 2.64926 2.66423 2.67007 2.68029 2.68640 2.69337 2.69505 2.71021 2.72570 2.73543 2.74576 2.75851 2.76442 2.77063 2.78011 2.79016 2.79261 2.80009 2.80937 2.81477 2.81640 2.83484 2.83801 2.83960 2.85713 2.87187 2.87778 2.88690 2.89511 2.90523 2.91166 2.92422 2.93874 2.94418 2.95572 2.96296 2.98037 2.98824 2.99316 3.00843 3.01434 3.03581 3.05169 3.06482 3.07899 3.10350 3.11650 3.12528 3.13336 3.16597 3.18782 3.19222 3.21002 3.21677 3.22109 3.23529 3.25304 3.26960 3.28999 3.30581 3.31993 3.34432 3.36506 3.42147 3.43401 3.48180 3.48911 3.54911 3.56650 3.57669 3.64258 3.66168 3.72394 3.74873 3.78406 3.78625 3.79124 3.79354 3.80041 3.81198 3.81807 3.82593 3.83444 3.83833 3.84214 3.85711 3.86614 3.87476 3.87957 3.91228 3.92827 4.02357 4.03312 4.05242 4.17558 4.18071 4.19858 4.26133 4.28191 4.29197 4.30782 4.31139 4.35049 4.45746 4.61427 4.85991 4.89018 5.12502 5.27038 5.51482 5.81906 7.99089 9.83873 17.40728 17.48438 17.54916 23.61046 23.66102 23.77587 23.83066 23.87263 23.88384 23.97806 23.98284 23.98725 23.99333 24.00343 24.00546 24.01861 24.02331 24.04128 24.06451 24.08182 24.11588 24.19460 26.00535 26.26145 26.83974 35.51628 35.60352 50.04600 189.17375 215.84246 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 49 Cl S 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 H H -0.014622 -0.057139 -0.371176 0.406993 0.101012 0.580231 -0.077425 0.595316 -0.684141 -0.665947 -0.623658 -0.481228 -0.466896 -0.531959 -0.440635 -0.436610 0.874630 -0.655927 -0.273352 -1.411080 -0.870287 1.333685 0.866184 -0.972534 0.159923 0.155005 0.146919 0.145960 0.155173 0.153664 0.153865 0.154747 0.154501 0.166423 0.177726 0.170306 0.169249 0.175983 0.164153 0.165337 0.170895 0.177152 0.159352 0.159974 0.158653 0.156728 0.249901 0.255533 0.219444 -0.00000 4.7165 -0.7993 3.2181 5.7654 -167.6512 -148.5567 -164.7522 7.3574 -5.5423 4.5365 -7.3312 11.7633 -4.4321 7.3574 -5.5423 4.5365 41.6798 18.8866 4.5568 -5.2406 8.3063 18.4953 8.5222 -18.3340 16.2613 -31.4970 -5854.3740 -4202.7007 -1430.6954 31.2953 15.3556 105.0930 11.1316 15.8465 12.6038 -1793.8258 -1231.4401 -1026.5446 44.6469 20.1402 16.9501 (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A) (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(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-FUENLABRADA ALCAMI 2024-09-06T00:00:00.000 0 Wavefunction PyridabenCONF131 water 0 1 Version=EM64L-G16RevC.01 State=1-A HF=-1782.5531992 RMSD=3.077e-10 Dipole=1.5735656,0.9566002,1.3243566 Quadrupole=-4.436161,7.9344421,-3.4982811,-6.226199,-5.5318496,0.0173723 PG=C01 [X(C19H25Cl1N2O1S1)] 0 -1.790119418 -2.7243828904 -1.6956655667 0 -0.0710256937 -3.4584759553 1.0708794443 0 -2.7261486971 0.0522099188 -1.6419821092 0 -1.9599980107 0.6110789263 0.4641489822 0 -1.3660534861 0.2790336839 1.6168310547 0 2.9830260922 2.3897244774 -0.1720557239 0 -2.387018359 2.0735091276 0.3379068387 0 2.5826520627 0.908112783 -0.2240985699 0 2.5663009353 3.1536333924 -1.4400347507 0 2.2969434967 3.050592246 1.0444813135 0 4.5154765639 2.5086901912 -0.0204517539 0 -3.9071119247 2.1411788775 0.129614279 0 -1.6072724792 2.7040711537 -0.8262699123 0 -2.0355639568 2.8217201268 1.627464894 0 2.9473321673 0.047128517 0.827364557 0 1.842880755 0.3560503899 -1.2739427012 0 1.8305438084 -1.8335298855 -0.21887627 0 2.5802933938 -1.2920931824 0.8333500115 0 1.4723354646 -0.9906531376 -1.2713201178 0 -2.1532671115 -0.2759528403 -0.5975594471 0 1.3326436915 -3.2453644663 -0.170409535 0 -0.9486268888 -1.9356853647 0.7753704121 0 -1.6053922069 -1.6105029133 -0.3763809254 0 -0.8890871437 -0.9218231591 1.7725741751 0 2.8816872425 4.1971361535 -1.3542313918 0 3.0353045188 2.7351228658 -2.3352111523 0 1.4829866774 3.1455540957 -1.5843654971 0 1.2088108036 2.9844959294 0.9596012706 0 2.5946822737 2.5727341782 1.9812384219 0 2.5715088765 4.1085709616 1.102473142 0 4.8066631129 3.563116373 0.0113590855 0 4.872017354 2.0365100737 0.8979319374 0 5.0272014915 2.0393497936 -0.8660584321 0 -4.4265911925 1.6576335155 0.9610222124 0 -4.2194887132 1.6752335204 -0.8019998166 0 -4.2057695711 3.1918182684 0.1061995366 0 -1.8429367762 3.769934903 -0.8670799867 0 -1.863336593 2.2587670448 -1.7853839304 0 -0.5330190973 2.5968973809 -0.6615929482 0 -0.9643263441 2.8124740958 1.828926942 0 -2.5597650994 2.4145696054 2.492743716 0 -2.3503105842 3.8589164078 1.4921930282 0 3.5205195341 0.4313173886 1.6630341142 0 1.5312125118 0.9692576796 -2.1088786131 0 2.8603067416 -1.9231914994 1.6705963226 0 0.8869037012 -1.380918858 -2.0968406639 0 0.9832605691 -3.5890781661 -1.1420779449 0 2.0835567832 -3.9409541071 0.2073171903 0 -0.4038579694 -1.1173339133 2.7201106512 Gaussian 16 6-Sep-2024 Gaussian 16 3-Jul-2019 EM64L-G16RevC.01 141 C1[X(C19H25ClN2OS)] RB3LYP TD-FC 6-311+G(d,p) SP #P B3LYP 6-311+G(d,p) EmpiricalDispersion=gd3 scrf=(smd,Solvent=Water) 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 0 339.7340999999997 AuxInfo=1/0/N:6;7;8;9;10;11;12;13;14;15;16;17;18;19;20;21;22;23;24;1;4;5;3;2;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/rA:49nCl0S0O0N0N0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:-1.7901,-2.7244,-1.6957;-.071,-3.4585,1.0709;-2.7261,.0522,-1.642;-1.96,.6111,.4641;-1.3661,.279,1.6168;2.983,2.3897,-.1721;-2.387,2.0735,.3379;2.5827,.9081,-.2241;2.5663,3.1536,-1.44;2.2969,3.0506,1.0445;4.5155,2.5087,-.0205;-3.9071,2.1412,.1296;-1.6073,2.7041,-.8263;-2.0356,2.8217,1.6275;2.9473,.0471,.8274;1.8429,.356,-1.2739;1.8305,-1.8335,-.2189;2.5803,-1.2921,.8334;1.4723,-.9907,-1.2713;-2.1533,-.276,-.5976;1.3326,-3.2454,-.1704;-.9486,-1.9357,.7754;-1.6054,-1.6105,-.3764;-.8891,-.9218,1.7726;2.8817,4.1971,-1.3542;3.0353,2.7351,-2.3352;1.483,3.1456,-1.5844;1.2088,2.9845,.9596;2.5947,2.5727,1.9812;2.5715,4.1086,1.1025;4.8067,3.5631,.0114;4.872,2.0365,.8979;5.0272,2.0394,-.8661;-4.4266,1.6576,.961;-4.2195,1.6752,-.802;-4.2058,3.1918,.1062;-1.8429,3.7699,-.8671;-1.8633,2.2588,-1.7854;-.533,2.5969,-.6616;-.9643,2.8125,1.8289;-2.5598,2.4146,2.4927;-2.3503,3.8589,1.4922;3.5205,.4313,1.663;1.5312,.9693,-2.1089;2.8603,-1.9232,1.6706;.8869,-1.3809,-2.0968;.9833,-3.5891,-1.1421;2.0836,-3.941,.2073;-.4039,-1.1173,2.7201; oldchk=opt-b3lyp-pople.chk #P B3LYP 6-311+G(d,p) EmpiricalDispersion=gd3 scrf=(smd,Solvent=Water) 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=1,74=-5,116=-2,124=31/1,2,3,8 4/5=1/1 5/5=2,38=6,53=1/2 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 Pyridaben CONF131 water 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 49 35 32 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 1 1 34.9688527 31.9720718 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 1.0078250 1.0078250 3 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 1 1 14.2400000 13.6000000 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 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 718 A 694 A 694 1095 718 97 97 2546.9867254233 49 49 49 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 -0.0673851206 PCM SMD-Coulomb. Total charges None On-the-fly selection Water 78.355300 1.777849 0.000000 3.338854 0.000000 2.930614 5.170514 0.000000 3.977306 4.527429 2.309786 0.000000 4.491434 3.993011 3.538527 1.338544 0.000000 7.159497 6.713685 6.341872 5.291675 5.154573 0.000000 5.245138 6.041848 2.849670 1.528720 2.428612 5.403465 0.000000 5.872109 5.271249 5.561145 4.604083 4.401936 1.535637 5.135331 0.000000 7.320848 7.548521 6.137559 5.529727 5.750753 1.537852 5.372440 2.553651 0.000000 7.587017 6.926467 6.437300 4.940603 4.628895 1.545127 4.836676 2.506221 2.501198 0.000000 8.363727 7.604872 7.816955 6.765171 6.499574 1.544520 6.925478 2.517763 2.496088 2.519847 0.000000 5.611327 6.852567 2.982787 2.498874 3.483730 6.901216 1.535790 6.615331 6.737502 6.336743 8.431938 0.000000 5.500672 6.628440 2.991595 2.483991 3.450759 4.647327 1.536528 4.598211 4.242349 4.343120 6.178638 2.553395 0.000000 6.470139 6.603791 4.340090 2.499190 2.629375 5.348938 1.531764 5.330863 5.540477 4.377542 6.762377 2.491864 2.493610 0.000000 6.040729 4.632391 6.187575 4.952964 4.391165 2.547130 5.727223 1.407075 3.864797 3.080737 3.039269 7.201063 5.526145 5.759147 0.000000 4.781800 4.869480 4.593887 4.189020 4.319695 2.578743 4.841464 1.397930 2.894373 3.583548 3.653473 6.182158 4.197281 5.435074 2.393896 0.000000 4.010452 2.814229 5.132708 4.561890 4.248645 4.377932 5.776053 2.842938 5.186942 5.066384 5.109120 6.988594 5.725149 6.326699 2.424606 2.430551 0.000000 5.248608 3.432073 6.007724 4.936863 4.319252 3.837814 6.020542 2.441129 4.993291 4.357038 4.349697 7.373536 6.021576 6.233796 1.388621 2.775038 1.400878 0.000000 3.718804 3.736042 4.341915 4.166331 4.243816 3.862321 5.183948 2.436142 4.289561 4.730177 4.803206 6.380395 4.830429 5.936540 2.767144 1.396754 1.395132 2.397514 0.000000 2.707863 4.153056 1.235598 1.396926 2.414796 5.802447 2.539628 4.895959 5.894586 5.793667 7.249788 3.073643 3.038250 3.815778 5.305742 4.101965 4.294205 5.048429 3.756294 0.000000 3.514182 1.885869 5.432616 5.110412 4.785246 5.871796 6.510352 4.337831 6.639355 6.484204 6.577390 7.520632 6.668511 7.168451 3.800432 3.801094 1.497842 2.525754 2.513014 4.599069 0.000000 2.726935 1.782246 3.599292 2.757850 2.405677 5.921544 4.281820 4.642850 6.569924 5.955595 7.088176 5.078431 4.952414 4.953827 4.371813 4.152620 2.953431 3.587597 3.308034 2.467956 2.795345 0.000000 1.736481 2.804255 2.371172 2.401596 2.756905 6.090743 3.833157 4.889410 6.421166 6.242826 7.386438 4.430470 4.337966 4.883139 4.992399 4.069832 3.446767 4.368615 3.264588 1.459490 3.368568 1.365143 0.000000 4.011205 2.756122 3.997841 2.282239 1.301465 5.453549 3.643362 4.403219 6.234574 5.144025 6.647757 4.603235 4.518505 3.917854 4.068218 4.286942 3.491916 3.613287 3.853096 2.762758 3.756344 1.423333 2.367569 0.000000 8.357618 8.556172 6.979329 6.293507 6.497849 2.162070 5.927258 3.490601 1.093494 2.722189 2.701682 7.246831 4.760120 5.912837 4.688948 3.979888 6.225983 5.916755 5.376458 6.777304 7.693620 7.537772 7.403968 7.085153 0.000000 7.314365 7.720842 6.393194 6.107457 6.404917 2.191181 6.081519 2.828366 1.093826 3.473762 2.756863 7.390892 4.881740 6.436149 4.151498 2.864987 5.177153 5.144442 4.178055 6.245581 6.584197 6.882142 6.652634 6.756331 1.767315 0.000000 6.721739 7.285499 5.223880 4.740688 5.155737 2.194542 4.452118 2.840024 1.092916 2.753612 3.470939 5.744533 3.212369 4.775031 4.190584 2.829703 5.174614 5.171281 4.148050 5.089483 6.547191 6.107380 5.798050 5.782675 1.764979 1.772544 0.000000 6.973903 6.569798 5.554318 3.989979 3.792282 2.186833 3.761168 2.756801 2.762180 1.093438 3.481513 5.250974 3.346386 3.316399 3.415856 3.507063 4.998873 4.492896 4.565990 4.935468 6.332726 5.375562 5.551450 4.507930 3.102069 3.775454 2.563763 0.000000 7.797792 6.656594 6.913177 5.186016 4.591436 2.195673 5.269450 2.763082 3.470354 1.092937 2.774944 6.774074 5.055272 4.650412 2.799012 4.009376 4.983932 4.031717 4.953436 6.108047 6.330292 5.859608 6.379535 4.938838 3.721077 4.341918 3.778561 1.770291 0.000000 8.575701 8.015247 7.214657 5.759728 5.516731 2.179037 5.414151 3.464513 2.715931 1.094563 2.756735 6.840293 4.811952 4.812143 4.088061 4.501073 6.132174 5.407373 5.731070 6.666158 7.565407 7.002242 7.234730 6.142445 2.477792 3.730836 3.054731 1.772259 1.769621 0.000000 9.271684 8.614940 8.473680 7.396435 7.173923 2.176268 7.353544 3.471413 2.700638 2.762013 1.094356 8.829823 6.525194 7.069479 4.060191 4.552063 6.167178 5.404207 5.787903 7.971817 7.645735 7.996493 8.248099 7.460438 2.443839 3.054452 3.710461 3.765436 3.123162 2.546363 0.000000 8.589349 7.393136 8.253529 6.992600 6.520665 2.199528 7.280700 2.788087 3.468484 2.771434 1.092476 8.813307 6.737930 6.990240 2.768941 4.088600 5.047280 4.041753 5.042540 7.545767 6.447226 7.047926 7.541977 6.535064 3.701616 3.783489 4.344802 3.784384 2.578244 3.102839 1.766581 0.000000 8.358066 7.744013 8.041469 7.254679 7.080760 2.187020 7.511415 2.769049 2.761722 3.482396 1.094163 8.990200 6.667809 7.530765 3.341030 3.624881 5.063266 4.469213 4.688521 7.549294 6.485514 7.362453 7.586337 7.122738 3.081815 2.571024 3.781681 4.336639 3.782691 3.766592 1.772107 1.770806 0.000000 5.762902 6.719940 3.499217 2.725113 3.420163 7.531418 2.172805 7.148131 7.543450 6.866820 9.035937 1.093121 3.498286 2.741579 7.548929 6.781996 7.261689 7.603527 6.840622 3.366888 7.647765 5.004262 4.519793 4.452656 8.075915 8.228367 6.604242 5.789501 7.153777 7.416233 9.475532 9.306538 9.636292 0.000000 5.104615 6.860933 2.360051 2.800153 3.992770 7.265229 2.194529 6.869612 6.974217 6.911222 8.809375 1.087469 2.807627 3.462118 7.527873 6.222162 7.018144 7.597133 6.302704 2.849245 7.445627 5.121071 4.220274 4.946181 7.555902 7.490402 5.940721 5.855241 7.415177 7.460951 9.257271 9.256121 9.254078 1.775232 0.000000 6.639542 7.890065 3.886201 3.439743 4.339390 7.238754 2.147594 7.169873 6.946455 6.571575 8.748876 1.092514 2.803495 2.676007 7.847039 6.821477 7.861099 8.166080 7.185507 4.090658 8.496344 6.111306 5.482439 5.540689 7.305858 7.655208 5.934821 5.485340 7.081326 6.911187 9.020576 9.185194 9.355278 1.770087 1.767779 0.000000 6.547176 7.690597 3.898976 3.429905 4.310873 5.067342 2.150786 5.309358 4.488817 4.616290 6.537349 2.811950 1.092368 2.675625 6.298977 5.040377 6.731526 6.934014 5.815294 4.066713 7.732017 6.004293 5.407987 5.467193 4.768846 5.198412 3.459208 3.642368 5.407279 4.845735 6.710559 7.156161 7.084753 3.805134 3.168597 2.620013 0.000000 4.984495 6.637581 2.373584 2.790093 3.967581 5.109521 2.194750 4.901907 4.532300 5.093433 6.623194 2.803224 1.088009 3.463252 5.904264 4.197374 5.731107 6.261966 4.685051 2.814212 6.566422 4.998759 4.125903 4.870768 5.143775 4.952364 3.467662 4.183266 5.844652 5.606188 7.029830 7.253590 6.955057 3.804521 2.618971 3.152089 1.768425 0.000000 5.564677 6.315255 3.499488 2.692032 3.355243 3.556001 2.170311 3.570826 3.243719 3.335449 5.089809 3.495453 1.092074 2.747357 4.564117 3.322840 5.040944 5.201136 4.154965 3.298874 6.152559 4.773039 4.351270 4.293408 3.834153 3.943734 2.284034 2.410907 4.094833 3.877522 5.467966 5.653368 5.591844 4.321458 3.802530 3.799017 1.770346 1.773974 0.000000 6.615245 6.379454 4.771822 2.774909 2.573847 4.445699 2.189352 4.519133 4.823674 3.362727 5.791436 3.463854 2.734081 1.090056 4.894010 4.852034 5.795701 5.513889 5.478378 4.103632 6.780179 4.863666 4.983681 3.735480 5.180889 5.774346 4.213176 2.346880 3.570324 3.835327 6.096830 5.960854 6.615064 3.751559 4.337185 3.690345 2.992848 3.765376 2.536767 0.000000 6.674126 6.535150 4.764912 2.779837 2.598593 6.150147 2.188489 6.007920 6.503039 5.107799 7.508932 2.733947 3.465098 1.090535 6.221446 6.148879 6.683864 6.550812 6.482403 4.117539 7.367366 4.946701 5.034274 3.800174 6.898273 7.397074 5.788005 4.108224 5.182179 5.579647 7.857525 7.610371 8.305685 2.530645 3.762530 3.001506 3.693139 4.337241 3.753769 1.773247 0.000000 7.335945 7.675733 4.945232 3.428945 3.714816 5.776913 2.126359 5.998918 5.767881 4.738228 7.158927 2.689028 2.694632 1.092309 6.560240 6.124086 7.267135 7.160854 6.765202 4.637137 8.173078 6.004662 5.827608 5.006921 5.965763 6.701999 4.966716 3.703459 5.132873 4.943533 7.314550 7.472371 7.956121 3.072252 3.677719 2.410130 2.414853 3.679692 3.087723 1.769006 1.769494 0.000000 7.031514 5.327320 7.077268 5.612995 4.889164 2.737118 6.273098 2.160602 4.236812 2.956408 2.852988 7.774620 6.136473 6.048583 1.083738 3.383189 3.395164 2.131325 3.850648 6.148363 4.654708 5.134581 5.882450 4.613851 4.867586 4.639927 4.697257 3.515329 2.354590 3.838886 3.767010 2.233511 3.354425 8.071756 8.217752 8.351026 6.805476 6.649591 5.150224 5.080479 6.449153 6.800314 0.000000 4.984473 5.681800 4.379965 4.351702 4.769850 2.806559 4.749596 2.159088 2.508039 3.855123 3.954391 5.996634 3.808510 5.487602 3.387808 1.081794 3.393719 3.856292 2.132187 4.172532 4.643289 4.786146 4.415314 4.949718 3.579452 2.330622 2.239131 3.685200 4.520084 4.609803 4.685305 4.619623 3.861559 6.737476 5.939436 6.539060 4.557493 3.645607 3.000816 5.013130 6.324552 6.031921 4.298145 0.000000 5.796558 3.362955 6.788510 5.577937 4.766005 4.691660 6.729346 3.418076 5.961260 5.044593 5.024023 8.043114 6.899650 6.818035 2.144942 3.860105 2.153731 1.085207 3.383927 5.744027 2.733349 3.912743 4.922434 3.882151 6.827038 6.146301 6.179318 5.226696 4.514466 6.065338 6.053176 4.508129 5.179941 8.150134 8.317806 8.862285 7.808456 7.193426 6.114325 6.089287 6.990656 7.785572 2.445332 4.941375 0.000000 3.021968 3.907470 3.913426 4.316431 4.650012 4.724011 5.345992 3.409163 4.879952 5.611988 5.710253 6.351760 4.952011 6.330359 3.851709 2.146652 2.149899 3.385480 1.084676 3.565310 2.717716 3.453482 3.037142 4.282205 5.970371 4.649112 4.594225 5.338755 5.931156 6.573279 6.652256 6.043891 5.509549 6.842262 6.090314 7.190176 5.957821 4.572542 4.460845 6.035168 6.881100 7.128576 4.935260 2.436926 4.287419 0.000000 2.957329 2.454742 5.221935 5.374389 5.300297 6.378565 6.753816 4.860603 6.932457 7.112807 7.135641 7.639947 6.812806 7.608022 4.578021 4.039848 2.156882 3.424758 2.647208 4.594682 1.088277 3.184730 3.346965 4.372086 8.017117 6.754996 6.767615 6.905056 7.093639 8.174004 8.191624 7.136618 6.936054 7.824162 7.409267 8.629298 7.887844 6.535614 6.387195 7.321191 7.861854 8.574655 5.519956 4.691842 3.769565 2.407659 0.000000 4.484056 2.370812 6.519090 6.094038 5.629817 6.405502 7.495123 4.893737 7.299314 7.044721 6.896668 8.537359 7.671172 8.044734 4.127393 4.551517 2.164923 2.766790 3.356223 5.659570 1.091051 3.679392 4.402278 4.516834 8.324900 7.206960 7.334126 7.020895 6.770242 8.113831 7.985285 6.631933 6.751386 8.619413 8.502274 9.510115 8.719489 7.614812 7.095419 7.584722 8.196115 9.063557 4.827083 5.457108 2.610726 3.646218 1.776326 0.000000 4.899327 2.883000 5.078260 3.240115 2.023089 5.668780 4.448517 4.657257 6.661067 5.241533 6.697655 5.440714 5.350529 4.401419 4.021062 4.813643 3.760736 3.534907 4.412218 3.843864 3.987362 2.179102 3.357851 1.082357 7.459133 7.226724 6.345149 4.746062 4.811837 6.227330 7.509559 6.411079 7.233372 5.193960 5.895993 6.313149 6.230913 5.816151 5.024750 4.068381 4.144149 5.482657 4.349307 5.605132 3.522167 4.993852 4.790628 4.524842 0.000000 C19H25ClN2OS 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 0 339.7340999999997 AuxInfo=1/0/N:6;7;8;9;10;11;12;13;14;15;16;17;18;19;20;21;22;23;24;1;4;5;3;2;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/rA:49nCl0S0O0N0N0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:-3.2571,-.8624,-1.5615;-2.3649,-2.5231,1.1943;-2.1148,1.8364,-1.5746;-1.1005,1.7683,.4995;-.8376,1.1379,1.6507;3.7544,-.1875,-.2798;-.4547,3.1444,.337;2.471,-1.0308,-.2798;3.9064,.6472,-1.5624;3.7202,.775,.9285;4.9845,-1.1136,-.1597;-1.5538,4.2014,.1544;.5074,3.0865,-.8597;.3475,3.4845,1.5968;2.2084,-1.9058,.7903;1.5164,-.964,-1.2989;.0912,-2.5827,-.1782;1.0463,-2.6641,.8434;.3467,-1.7256,-1.2489;-1.8687,1.2218,-.5313;-1.2155,-3.3081,-.0782;-2.0218,-.8047,.869;-2.3362,-.1378,-.2799;-1.2717,-.0752,1.8339;4.837,1.2195,-1.5139;3.9497,.0135,-2.453;3.086,1.3584,-1.6868;2.8596,1.4466,.8655;3.6576,.2298,1.8737;4.6288,1.3849,.9496;5.9024,-.5177,-.165;4.9691,-1.6938,.7659;5.0277,-1.8132,-.9999;-2.235,4.193,1.0093;-2.1276,4.0502,-.7569;-1.0815,5.1853,.1047;1.0363,4.0398,-.9283;-.0116,2.9131,-1.8001;1.2454,2.2953,-.7114;1.1494,2.7689,1.7789;-.2854,3.5368,2.4833;.7951,4.4678,1.436;2.9198,-1.9899,1.6035;1.6618,-.3072,-2.1462;.8655,-3.3132,1.6941;-.3777,-1.6378,-2.0515;-1.7373,-3.3436,-1.0325;-1.1022,-4.3227,.3067;-1.0065,-.5335,2.7779; 0.2470728 0.1991458 0.1382076 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= 694 RedAO= T EigKep= 1.23D-06 NBF= 694 NBsUse= 692 1.00D-06 EigRej= 6.18D-07 NBFU= 692 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= 709 709 709 709 709 MxSgAt= 49 MxSgA2= 49. 1 Closed 1 1 1 -1782.55319924097 -1782.55319924110 -0.000000000123 -1782.55319924 2 1.776683963904e+03 -9.281372252102e+03 3.175203624899e+03 Using DIIS extrapolation, IDIIS= 1040. NGot= 11324620800 LenX= 11323575936 LenY= 11323059694 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 3.4521 359.16 0.0199 0.000 95 98 -0.18379 97 98 0.67415 -1782.42633701 2 Singlet-A 3.7358 331.88 0.0083 0.000 95 98 -0.42259 96 98 0.53127 97 98 -0.18037 3 Singlet-A 3.9679 312.47 0.0615 0.000 94 98 0.25396 95 98 0.47829 96 98 0.42933 97 98 0.10123 4 Singlet-A 4.0883 303.27 0.0011 0.000 93 98 0.69106 94 98 -0.11287 5 Singlet-A 4.2183 293.92 0.0578 0.000 94 98 0.64383 95 98 -0.22338 96 98 -0.13401 6 Singlet-A 4.9463 250.66 0.0096 0.000 94 100 0.11668 96 99 -0.11529 96 100 0.22546 97 99 0.47181 97 100 0.38690 97 101 0.13455 7 Singlet-A 5.0344 246.27 0.0392 0.000 92 98 -0.10944 95 99 -0.22070 95 100 0.11510 96 99 0.27854 96 100 -0.16430 97 99 0.45161 97 100 -0.27472 97 101 -0.15255 8 Singlet-A 5.1330 241.54 0.0555 0.000 94 100 -0.25845 95 99 -0.12300 95 100 -0.25990 96 99 0.30280 97 100 0.31493 97 101 -0.29196 97 102 0.16758 9 Singlet-A 5.2006 238.40 0.0226 0.000 92 98 0.53599 95 99 -0.14247 96 99 -0.24472 96 100 -0.28503 10 Singlet-A 5.2967 234.08 0.0129 0.000 88 98 -0.26814 89 98 -0.33052 93 99 0.43037 93 100 0.18216 93 101 -0.11865 96 99 0.11857 96 100 0.12560 97 100 -0.11883 97 101 0.11738 PT26866.400S Fri Sep 6 05:39:08 2024 -101.57336 -88.86228 -19.10699 -14.41383 -14.37293 -10.30186 -10.26478 -10.24215 -10.23221 -10.22685 -10.20935 -10.18496 -10.18447 -10.18058 -10.17336 -10.17334 -10.17038 -10.16965 -10.15515 -10.15471 -10.15395 -10.14973 -10.14940 -10.14796 -9.48816 -7.94813 -7.25282 -7.24327 -7.24218 -5.91231 -5.90852 -5.90149 -1.08001 -1.03226 -0.90977 -0.87484 -0.86846 -0.83079 -0.81391 -0.80230 -0.77946 -0.74822 -0.73499 -0.69538 -0.69132 -0.68402 -0.67981 -0.67899 -0.66177 -0.63380 -0.60627 -0.59361 -0.58405 -0.56428 -0.54725 -0.51148 -0.49808 -0.49007 -0.47936 -0.47020 -0.46505 -0.45444 -0.44504 -0.44381 -0.44052 -0.43626 -0.42953 -0.42505 -0.42217 -0.42165 -0.41233 -0.39559 -0.39339 -0.39036 -0.38569 -0.38371 -0.38014 -0.37375 -0.36932 -0.36411 -0.35994 -0.35653 -0.35073 -0.34695 -0.34270 -0.34077 -0.33147 -0.32501 -0.32227 -0.32035 -0.31353 -0.29963 -0.27407 -0.26262 -0.25288 -0.24661 -0.23942 -0.08337 -0.02871 -0.02625 -0.01226 -0.01024 0.00294 0.01307 0.01653 0.02044 0.02260 0.02801 0.03368 0.03505 0.03967 0.04280 0.04747 0.05256 0.05444 0.05559 0.05737 0.05779 0.06233 0.06981 0.07556 0.07602 0.07825 0.07981 0.08123 0.08544 0.08771 0.09126 0.09292 0.09575 0.10057 0.10175 0.10744 0.10845 0.11076 0.11474 0.11785 0.12035 0.12356 0.12765 0.13045 0.13140 0.13497 0.13698 0.14013 0.14198 0.14463 0.14904 0.15019 0.15415 0.15700 0.15967 0.16414 0.16596 0.16603 0.16843 0.17088 0.17281 0.17387 0.17959 0.18117 0.18668 0.18871 0.19221 0.19317 0.19716 0.19794 0.19935 0.20179 0.20565 0.20889 0.21202 0.21377 0.21499 0.21917 0.21969 0.22215 0.22419 0.22865 0.22987 0.23233 0.23323 0.23651 0.23822 0.24032 0.24096 0.24485 0.25148 0.25366 0.25393 0.25583 0.25924 0.26026 0.26230 0.26304 0.26573 0.27094 0.27161 0.27556 0.27686 0.27830 0.28002 0.28233 0.28480 0.28651 0.28847 0.29337 0.30069 0.30093 0.30546 0.30629 0.31229 0.31474 0.31589 0.31951 0.32232 0.32457 0.32975 0.33277 0.33545 0.33763 0.34040 0.34421 0.35120 0.35432 0.35859 0.35894 0.36302 0.36858 0.36970 0.37299 0.37555 0.38196 0.38595 0.39168 0.39767 0.40196 0.40668 0.40807 0.41819 0.42106 0.42845 0.43636 0.43976 0.44948 0.45810 0.46891 0.47058 0.47704 0.48416 0.49119 0.49626 0.50248 0.50860 0.51417 0.52389 0.52872 0.53339 0.53637 0.54376 0.55181 0.55510 0.55908 0.56416 0.56870 0.57078 0.57528 0.57956 0.58144 0.58957 0.59185 0.59653 0.60003 0.60656 0.61123 0.61637 0.62506 0.62998 0.63475 0.63637 0.64667 0.65467 0.65558 0.65763 0.66402 0.66718 0.67418 0.67667 0.67940 0.68191 0.68550 0.68823 0.69559 0.69849 0.70310 0.70732 0.71335 0.71708 0.72370 0.72888 0.73054 0.73554 0.73846 0.74161 0.74406 0.74745 0.75226 0.75982 0.76425 0.76730 0.77021 0.77182 0.77754 0.78387 0.78710 0.79699 0.79749 0.80142 0.80641 0.81053 0.81588 0.82283 0.83557 0.84458 0.84879 0.85172 0.85749 0.86064 0.86345 0.87625 0.87859 0.88525 0.89073 0.89912 0.90164 0.90799 0.91416 0.92175 0.92678 0.93097 0.93730 0.94397 0.94983 0.95504 0.96334 0.96946 0.97838 0.98201 0.99081 0.99838 1.00355 1.01778 1.02134 1.02999 1.03763 1.04410 1.05328 1.06873 1.07256 1.07991 1.08423 1.08574 1.09386 1.10761 1.12113 1.12592 1.14015 1.14700 1.15147 1.16635 1.17118 1.17956 1.18891 1.19036 1.19855 1.20728 1.21527 1.22717 1.23445 1.24911 1.25239 1.26316 1.27281 1.27840 1.29505 1.30472 1.31394 1.32819 1.34118 1.35935 1.36747 1.37849 1.38847 1.40584 1.41923 1.42908 1.45109 1.46074 1.46323 1.46650 1.47866 1.48133 1.48295 1.48490 1.49793 1.51045 1.51159 1.51428 1.52814 1.52883 1.53168 1.53317 1.54862 1.55484 1.55845 1.56718 1.57111 1.57784 1.58260 1.58560 1.59459 1.59878 1.60453 1.61082 1.61633 1.62969 1.63898 1.64456 1.64777 1.65474 1.66246 1.66857 1.67261 1.68266 1.68538 1.68621 1.69450 1.70040 1.70382 1.71253 1.71934 1.72394 1.72830 1.73392 1.73798 1.75458 1.75647 1.76649 1.77247 1.77336 1.78497 1.79359 1.79500 1.79800 1.80222 1.81431 1.81652 1.82282 1.83371 1.83804 1.85233 1.85948 1.86423 1.87299 1.87481 1.88655 1.90237 1.91864 1.92028 1.93436 1.94249 1.95109 1.95534 1.96365 1.97088 1.98504 1.98653 2.00374 2.00751 2.01465 2.02741 2.03246 2.03834 2.04548 2.04865 2.06311 2.06657 2.07099 2.08727 2.09211 2.10494 2.11099 2.12082 2.13382 2.13916 2.14955 2.15957 2.17404 2.17577 2.20066 2.20860 2.21856 2.22312 2.23194 2.23834 2.24817 2.25983 2.26580 2.27218 2.30160 2.31415 2.33264 2.33777 2.34808 2.35224 2.37657 2.39209 2.40045 2.43003 2.43860 2.44331 2.45246 2.45663 2.46207 2.47364 2.48515 2.49482 2.50850 2.50954 2.51812 2.52783 2.53457 2.54487 2.54833 2.55082 2.55493 2.56063 2.56262 2.56868 2.57105 2.57882 2.58354 2.59739 2.60318 2.61107 2.61616 2.62581 2.63060 2.63599 2.64926 2.66423 2.67007 2.68029 2.68640 2.69337 2.69505 2.71021 2.72570 2.73543 2.74576 2.75851 2.76442 2.77063 2.78011 2.79016 2.79261 2.80009 2.80937 2.81477 2.81640 2.83484 2.83801 2.83960 2.85713 2.87187 2.87778 2.88690 2.89511 2.90523 2.91166 2.92422 2.93874 2.94418 2.95572 2.96296 2.98037 2.98824 2.99316 3.00843 3.01434 3.03581 3.05169 3.06482 3.07899 3.10350 3.11650 3.12528 3.13336 3.16597 3.18782 3.19222 3.21002 3.21677 3.22109 3.23529 3.25304 3.26960 3.28999 3.30581 3.31993 3.34432 3.36506 3.42147 3.43401 3.48180 3.48911 3.54911 3.56650 3.57669 3.64258 3.66168 3.72394 3.74873 3.78406 3.78625 3.79124 3.79354 3.80041 3.81198 3.81807 3.82593 3.83444 3.83833 3.84214 3.85711 3.86614 3.87476 3.87957 3.91228 3.92827 4.02357 4.03312 4.05242 4.17558 4.18071 4.19858 4.26133 4.28191 4.29197 4.30782 4.31139 4.35049 4.45746 4.61427 4.85991 4.89018 5.12502 5.27038 5.51482 5.81906 7.99089 9.83873 17.40728 17.48438 17.54916 23.61046 23.66102 23.77587 23.83066 23.87263 23.88384 23.97806 23.98284 23.98725 23.99333 24.00343 24.00546 24.01861 24.02331 24.04128 24.06451 24.08182 24.11588 24.19460 26.00535 26.26145 26.83974 35.51628 35.60352 50.04600 189.17375 215.84246 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 49 Cl S 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 H H -0.014622 -0.057139 -0.371176 0.406993 0.101012 0.580231 -0.077425 0.595316 -0.684141 -0.665947 -0.623658 -0.481228 -0.466896 -0.531959 -0.440635 -0.436610 0.874630 -0.655927 -0.273352 -1.411080 -0.870287 1.333685 0.866184 -0.972534 0.159923 0.155005 0.146919 0.145960 0.155173 0.153664 0.153865 0.154747 0.154501 0.166423 0.177726 0.170306 0.169249 0.175983 0.164153 0.165337 0.170895 0.177152 0.159352 0.159974 0.158653 0.156728 0.249901 0.255533 0.219444 -0.00000 4.7165 -0.7993 3.2181 5.7654 -167.6512 -148.5567 -164.7522 7.3574 -5.5423 4.5365 -7.3312 11.7633 -4.4321 7.3574 -5.5423 4.5365 41.6798 18.8866 4.5568 -5.2406 8.3063 18.4953 8.5222 -18.3340 16.2613 -31.4970 -5854.3740 -4202.7007 -1430.6954 31.2953 15.3556 105.0930 11.1316 15.8465 12.6038 -1793.8258 -1231.4401 -1026.5446 44.6469 20.1402 16.9501 (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A) (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(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-FUENLABRADA ALCAMI 2024-09-06T00:00:00.000 0 Electronic spectrum Pyridaben CONF131 water 0 1 Version=EM64L-G16RevC.01 State=1-A HF=-1782.5531992 RMSD=3.091e-10 PG=C01 [X(C19H25Cl1N2O1S1)] 0 -1.790119418 -2.7243828904 -1.6956655667 0 -0.0710256937 -3.4584759553 1.0708794443 0 -2.7261486971 0.0522099188 -1.6419821092 0 -1.9599980107 0.6110789263 0.4641489822 0 -1.3660534861 0.2790336839 1.6168310547 0 2.9830260922 2.3897244774 -0.1720557239 0 -2.387018359 2.0735091276 0.3379068387 0 2.5826520627 0.908112783 -0.2240985699 0 2.5663009353 3.1536333924 -1.4400347507 0 2.2969434967 3.050592246 1.0444813135 0 4.5154765639 2.5086901912 -0.0204517539 0 -3.9071119247 2.1411788775 0.129614279 0 -1.6072724792 2.7040711537 -0.8262699123 0 -2.0355639568 2.8217201268 1.627464894 0 2.9473321673 0.047128517 0.827364557 0 1.842880755 0.3560503899 -1.2739427012 0 1.8305438084 -1.8335298855 -0.21887627 0 2.5802933938 -1.2920931824 0.8333500115 0 1.4723354646 -0.9906531376 -1.2713201178 0 -2.1532671115 -0.2759528403 -0.5975594471 0 1.3326436915 -3.2453644663 -0.170409535 0 -0.9486268888 -1.9356853647 0.7753704121 0 -1.6053922069 -1.6105029133 -0.3763809254 0 -0.8890871437 -0.9218231591 1.7725741751 0 2.8816872425 4.1971361535 -1.3542313918 0 3.0353045188 2.7351228658 -2.3352111523 0 1.4829866774 3.1455540957 -1.5843654971 0 1.2088108036 2.9844959294 0.9596012706 0 2.5946822737 2.5727341782 1.9812384219 0 2.5715088765 4.1085709616 1.102473142 0 4.8066631129 3.563116373 0.0113590855 0 4.872017354 2.0365100737 0.8979319374 0 5.0272014915 2.0393497936 -0.8660584321 0 -4.4265911925 1.6576335155 0.9610222124 0 -4.2194887132 1.6752335204 -0.8019998166 0 -4.2057695711 3.1918182684 0.1061995366 0 -1.8429367762 3.769934903 -0.8670799867 0 -1.863336593 2.2587670448 -1.7853839304 0 -0.5330190973 2.5968973809 -0.6615929482 0 -0.9643263441 2.8124740958 1.828926942 0 -2.5597650994 2.4145696054 2.492743716 0 -2.3503105842 3.8589164078 1.4921930282 0 3.5205195341 0.4313173886 1.6630341142 0 1.5312125118 0.9692576796 -2.1088786131 0 2.8603067416 -1.9231914994 1.6705963226 0 0.8869037012 -1.380918858 -2.0968406639 0 0.9832605691 -3.5890781661 -1.1420779449 0 2.0835567832 -3.9409541071 0.2073171903 0 -0.4038579694 -1.1173339133 2.7201106512 Gaussian 16 6-Sep-2024 Gaussian 16 3-Jul-2019 EM64L-G16RevC.01 141 C1[X(C19H25ClN2OS)] RB3LYP 6-311+G(3df,2p) SP #P B3LYP 6-311+G(3df,2p) EmpiricalDispersion=gd3 scrf=(smd,Solvent=Water) 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 0 339.7340999999997 AuxInfo=1/0/N:6;7;8;9;10;11;12;13;14;15;16;17;18;19;20;21;22;23;24;1;4;5;3;2;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/rA:49nCl0S0O0N0N0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:-1.7901,-2.7244,-1.6957;-.071,-3.4585,1.0709;-2.7261,.0522,-1.642;-1.96,.6111,.4641;-1.3661,.279,1.6168;2.983,2.3897,-.1721;-2.387,2.0735,.3379;2.5827,.9081,-.2241;2.5663,3.1536,-1.44;2.2969,3.0506,1.0445;4.5155,2.5087,-.0205;-3.9071,2.1412,.1296;-1.6073,2.7041,-.8263;-2.0356,2.8217,1.6275;2.9473,.0471,.8274;1.8429,.356,-1.2739;1.8305,-1.8335,-.2189;2.5803,-1.2921,.8334;1.4723,-.9907,-1.2713;-2.1533,-.276,-.5976;1.3326,-3.2454,-.1704;-.9486,-1.9357,.7754;-1.6054,-1.6105,-.3764;-.8891,-.9218,1.7726;2.8817,4.1971,-1.3542;3.0353,2.7351,-2.3352;1.483,3.1456,-1.5844;1.2088,2.9845,.9596;2.5947,2.5727,1.9812;2.5715,4.1086,1.1025;4.8067,3.5631,.0114;4.872,2.0365,.8979;5.0272,2.0394,-.8661;-4.4266,1.6576,.961;-4.2195,1.6752,-.802;-4.2058,3.1918,.1062;-1.8429,3.7699,-.8671;-1.8633,2.2588,-1.7854;-.533,2.5969,-.6616;-.9643,2.8125,1.8289;-2.5598,2.4146,2.4927;-2.3503,3.8589,1.4922;3.5205,.4313,1.663;1.5312,.9693,-2.1089;2.8603,-1.9232,1.6706;.8869,-1.3809,-2.0968;.9833,-3.5891,-1.1421;2.0836,-3.941,.2073;-.4039,-1.1173,2.7201; oldchk=opt-b3lyp-pople.chk #P B3LYP 6-311+G(3df,2p) EmpiricalDispersion=gd3 scrf=(smd,Solvent=Wat 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=1,74=-5,116=-2,124=31/1,2,3 4/5=1/1 5/5=2,38=6,53=1/2 6/7=2,8=2,9=2,10=2,28=1/1 99/5=1,9=1/99 Single Point Pyridaben CONF131 water 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 49 35 32 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 1 1 34.9688527 31.9720718 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 1.0078250 1.0078250 3 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 1 1 14.2400000 13.6000000 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 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 1321 A 1177 A 1177 1698 1321 97 97 2546.9867254233 49 49 49 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 -0.0673851206 PCM SMD-Coulomb. Total charges None On-the-fly selection Water 78.355300 1.777849 0.000000 3.338854 0.000000 2.930614 5.170514 0.000000 3.977306 4.527429 2.309786 0.000000 4.491434 3.993011 3.538527 1.338544 0.000000 7.159497 6.713685 6.341872 5.291675 5.154573 0.000000 5.245138 6.041848 2.849670 1.528720 2.428612 5.403465 0.000000 5.872109 5.271249 5.561145 4.604083 4.401936 1.535637 5.135331 0.000000 7.320848 7.548521 6.137559 5.529727 5.750753 1.537852 5.372440 2.553651 0.000000 7.587017 6.926467 6.437300 4.940603 4.628895 1.545127 4.836676 2.506221 2.501198 0.000000 8.363727 7.604872 7.816955 6.765171 6.499574 1.544520 6.925478 2.517763 2.496088 2.519847 0.000000 5.611327 6.852567 2.982787 2.498874 3.483730 6.901216 1.535790 6.615331 6.737502 6.336743 8.431938 0.000000 5.500672 6.628440 2.991595 2.483991 3.450759 4.647327 1.536528 4.598211 4.242349 4.343120 6.178638 2.553395 0.000000 6.470139 6.603791 4.340090 2.499190 2.629375 5.348938 1.531764 5.330863 5.540477 4.377542 6.762377 2.491864 2.493610 0.000000 6.040729 4.632391 6.187575 4.952964 4.391165 2.547130 5.727223 1.407075 3.864797 3.080737 3.039269 7.201063 5.526145 5.759147 0.000000 4.781800 4.869480 4.593887 4.189020 4.319695 2.578743 4.841464 1.397930 2.894373 3.583548 3.653473 6.182158 4.197281 5.435074 2.393896 0.000000 4.010452 2.814229 5.132708 4.561890 4.248645 4.377932 5.776053 2.842938 5.186942 5.066384 5.109120 6.988594 5.725149 6.326699 2.424606 2.430551 0.000000 5.248608 3.432073 6.007724 4.936863 4.319252 3.837814 6.020542 2.441129 4.993291 4.357038 4.349697 7.373536 6.021576 6.233796 1.388621 2.775038 1.400878 0.000000 3.718804 3.736042 4.341915 4.166331 4.243816 3.862321 5.183948 2.436142 4.289561 4.730177 4.803206 6.380395 4.830429 5.936540 2.767144 1.396754 1.395132 2.397514 0.000000 2.707863 4.153056 1.235598 1.396926 2.414796 5.802447 2.539628 4.895959 5.894586 5.793667 7.249788 3.073643 3.038250 3.815778 5.305742 4.101965 4.294205 5.048429 3.756294 0.000000 3.514182 1.885869 5.432616 5.110412 4.785246 5.871796 6.510352 4.337831 6.639355 6.484204 6.577390 7.520632 6.668511 7.168451 3.800432 3.801094 1.497842 2.525754 2.513014 4.599069 0.000000 2.726935 1.782246 3.599292 2.757850 2.405677 5.921544 4.281820 4.642850 6.569924 5.955595 7.088176 5.078431 4.952414 4.953827 4.371813 4.152620 2.953431 3.587597 3.308034 2.467956 2.795345 0.000000 1.736481 2.804255 2.371172 2.401596 2.756905 6.090743 3.833157 4.889410 6.421166 6.242826 7.386438 4.430470 4.337966 4.883139 4.992399 4.069832 3.446767 4.368615 3.264588 1.459490 3.368568 1.365143 0.000000 4.011205 2.756122 3.997841 2.282239 1.301465 5.453549 3.643362 4.403219 6.234574 5.144025 6.647757 4.603235 4.518505 3.917854 4.068218 4.286942 3.491916 3.613287 3.853096 2.762758 3.756344 1.423333 2.367569 0.000000 8.357618 8.556172 6.979329 6.293507 6.497849 2.162070 5.927258 3.490601 1.093494 2.722189 2.701682 7.246831 4.760120 5.912837 4.688948 3.979888 6.225983 5.916755 5.376458 6.777304 7.693620 7.537772 7.403968 7.085153 0.000000 7.314365 7.720842 6.393194 6.107457 6.404917 2.191181 6.081519 2.828366 1.093826 3.473762 2.756863 7.390892 4.881740 6.436149 4.151498 2.864987 5.177153 5.144442 4.178055 6.245581 6.584197 6.882142 6.652634 6.756331 1.767315 0.000000 6.721739 7.285499 5.223880 4.740688 5.155737 2.194542 4.452118 2.840024 1.092916 2.753612 3.470939 5.744533 3.212369 4.775031 4.190584 2.829703 5.174614 5.171281 4.148050 5.089483 6.547191 6.107380 5.798050 5.782675 1.764979 1.772544 0.000000 6.973903 6.569798 5.554318 3.989979 3.792282 2.186833 3.761168 2.756801 2.762180 1.093438 3.481513 5.250974 3.346386 3.316399 3.415856 3.507063 4.998873 4.492896 4.565990 4.935468 6.332726 5.375562 5.551450 4.507930 3.102069 3.775454 2.563763 0.000000 7.797792 6.656594 6.913177 5.186016 4.591436 2.195673 5.269450 2.763082 3.470354 1.092937 2.774944 6.774074 5.055272 4.650412 2.799012 4.009376 4.983932 4.031717 4.953436 6.108047 6.330292 5.859608 6.379535 4.938838 3.721077 4.341918 3.778561 1.770291 0.000000 8.575701 8.015247 7.214657 5.759728 5.516731 2.179037 5.414151 3.464513 2.715931 1.094563 2.756735 6.840293 4.811952 4.812143 4.088061 4.501073 6.132174 5.407373 5.731070 6.666158 7.565407 7.002242 7.234730 6.142445 2.477792 3.730836 3.054731 1.772259 1.769621 0.000000 9.271684 8.614940 8.473680 7.396435 7.173923 2.176268 7.353544 3.471413 2.700638 2.762013 1.094356 8.829823 6.525194 7.069479 4.060191 4.552063 6.167178 5.404207 5.787903 7.971817 7.645735 7.996493 8.248099 7.460438 2.443839 3.054452 3.710461 3.765436 3.123162 2.546363 0.000000 8.589349 7.393136 8.253529 6.992600 6.520665 2.199528 7.280700 2.788087 3.468484 2.771434 1.092476 8.813307 6.737930 6.990240 2.768941 4.088600 5.047280 4.041753 5.042540 7.545767 6.447226 7.047926 7.541977 6.535064 3.701616 3.783489 4.344802 3.784384 2.578244 3.102839 1.766581 0.000000 8.358066 7.744013 8.041469 7.254679 7.080760 2.187020 7.511415 2.769049 2.761722 3.482396 1.094163 8.990200 6.667809 7.530765 3.341030 3.624881 5.063266 4.469213 4.688521 7.549294 6.485514 7.362453 7.586337 7.122738 3.081815 2.571024 3.781681 4.336639 3.782691 3.766592 1.772107 1.770806 0.000000 5.762902 6.719940 3.499217 2.725113 3.420163 7.531418 2.172805 7.148131 7.543450 6.866820 9.035937 1.093121 3.498286 2.741579 7.548929 6.781996 7.261689 7.603527 6.840622 3.366888 7.647765 5.004262 4.519793 4.452656 8.075915 8.228367 6.604242 5.789501 7.153777 7.416233 9.475532 9.306538 9.636292 0.000000 5.104615 6.860933 2.360051 2.800153 3.992770 7.265229 2.194529 6.869612 6.974217 6.911222 8.809375 1.087469 2.807627 3.462118 7.527873 6.222162 7.018144 7.597133 6.302704 2.849245 7.445627 5.121071 4.220274 4.946181 7.555902 7.490402 5.940721 5.855241 7.415177 7.460951 9.257271 9.256121 9.254078 1.775232 0.000000 6.639542 7.890065 3.886201 3.439743 4.339390 7.238754 2.147594 7.169873 6.946455 6.571575 8.748876 1.092514 2.803495 2.676007 7.847039 6.821477 7.861099 8.166080 7.185507 4.090658 8.496344 6.111306 5.482439 5.540689 7.305858 7.655208 5.934821 5.485340 7.081326 6.911187 9.020576 9.185194 9.355278 1.770087 1.767779 0.000000 6.547176 7.690597 3.898976 3.429905 4.310873 5.067342 2.150786 5.309358 4.488817 4.616290 6.537349 2.811950 1.092368 2.675625 6.298977 5.040377 6.731526 6.934014 5.815294 4.066713 7.732017 6.004293 5.407987 5.467193 4.768846 5.198412 3.459208 3.642368 5.407279 4.845735 6.710559 7.156161 7.084753 3.805134 3.168597 2.620013 0.000000 4.984495 6.637581 2.373584 2.790093 3.967581 5.109521 2.194750 4.901907 4.532300 5.093433 6.623194 2.803224 1.088009 3.463252 5.904264 4.197374 5.731107 6.261966 4.685051 2.814212 6.566422 4.998759 4.125903 4.870768 5.143775 4.952364 3.467662 4.183266 5.844652 5.606188 7.029830 7.253590 6.955057 3.804521 2.618971 3.152089 1.768425 0.000000 5.564677 6.315255 3.499488 2.692032 3.355243 3.556001 2.170311 3.570826 3.243719 3.335449 5.089809 3.495453 1.092074 2.747357 4.564117 3.322840 5.040944 5.201136 4.154965 3.298874 6.152559 4.773039 4.351270 4.293408 3.834153 3.943734 2.284034 2.410907 4.094833 3.877522 5.467966 5.653368 5.591844 4.321458 3.802530 3.799017 1.770346 1.773974 0.000000 6.615245 6.379454 4.771822 2.774909 2.573847 4.445699 2.189352 4.519133 4.823674 3.362727 5.791436 3.463854 2.734081 1.090056 4.894010 4.852034 5.795701 5.513889 5.478378 4.103632 6.780179 4.863666 4.983681 3.735480 5.180889 5.774346 4.213176 2.346880 3.570324 3.835327 6.096830 5.960854 6.615064 3.751559 4.337185 3.690345 2.992848 3.765376 2.536767 0.000000 6.674126 6.535150 4.764912 2.779837 2.598593 6.150147 2.188489 6.007920 6.503039 5.107799 7.508932 2.733947 3.465098 1.090535 6.221446 6.148879 6.683864 6.550812 6.482403 4.117539 7.367366 4.946701 5.034274 3.800174 6.898273 7.397074 5.788005 4.108224 5.182179 5.579647 7.857525 7.610371 8.305685 2.530645 3.762530 3.001506 3.693139 4.337241 3.753769 1.773247 0.000000 7.335945 7.675733 4.945232 3.428945 3.714816 5.776913 2.126359 5.998918 5.767881 4.738228 7.158927 2.689028 2.694632 1.092309 6.560240 6.124086 7.267135 7.160854 6.765202 4.637137 8.173078 6.004662 5.827608 5.006921 5.965763 6.701999 4.966716 3.703459 5.132873 4.943533 7.314550 7.472371 7.956121 3.072252 3.677719 2.410130 2.414853 3.679692 3.087723 1.769006 1.769494 0.000000 7.031514 5.327320 7.077268 5.612995 4.889164 2.737118 6.273098 2.160602 4.236812 2.956408 2.852988 7.774620 6.136473 6.048583 1.083738 3.383189 3.395164 2.131325 3.850648 6.148363 4.654708 5.134581 5.882450 4.613851 4.867586 4.639927 4.697257 3.515329 2.354590 3.838886 3.767010 2.233511 3.354425 8.071756 8.217752 8.351026 6.805476 6.649591 5.150224 5.080479 6.449153 6.800314 0.000000 4.984473 5.681800 4.379965 4.351702 4.769850 2.806559 4.749596 2.159088 2.508039 3.855123 3.954391 5.996634 3.808510 5.487602 3.387808 1.081794 3.393719 3.856292 2.132187 4.172532 4.643289 4.786146 4.415314 4.949718 3.579452 2.330622 2.239131 3.685200 4.520084 4.609803 4.685305 4.619623 3.861559 6.737476 5.939436 6.539060 4.557493 3.645607 3.000816 5.013130 6.324552 6.031921 4.298145 0.000000 5.796558 3.362955 6.788510 5.577937 4.766005 4.691660 6.729346 3.418076 5.961260 5.044593 5.024023 8.043114 6.899650 6.818035 2.144942 3.860105 2.153731 1.085207 3.383927 5.744027 2.733349 3.912743 4.922434 3.882151 6.827038 6.146301 6.179318 5.226696 4.514466 6.065338 6.053176 4.508129 5.179941 8.150134 8.317806 8.862285 7.808456 7.193426 6.114325 6.089287 6.990656 7.785572 2.445332 4.941375 0.000000 3.021968 3.907470 3.913426 4.316431 4.650012 4.724011 5.345992 3.409163 4.879952 5.611988 5.710253 6.351760 4.952011 6.330359 3.851709 2.146652 2.149899 3.385480 1.084676 3.565310 2.717716 3.453482 3.037142 4.282205 5.970371 4.649112 4.594225 5.338755 5.931156 6.573279 6.652256 6.043891 5.509549 6.842262 6.090314 7.190176 5.957821 4.572542 4.460845 6.035168 6.881100 7.128576 4.935260 2.436926 4.287419 0.000000 2.957329 2.454742 5.221935 5.374389 5.300297 6.378565 6.753816 4.860603 6.932457 7.112807 7.135641 7.639947 6.812806 7.608022 4.578021 4.039848 2.156882 3.424758 2.647208 4.594682 1.088277 3.184730 3.346965 4.372086 8.017117 6.754996 6.767615 6.905056 7.093639 8.174004 8.191624 7.136618 6.936054 7.824162 7.409267 8.629298 7.887844 6.535614 6.387195 7.321191 7.861854 8.574655 5.519956 4.691842 3.769565 2.407659 0.000000 4.484056 2.370812 6.519090 6.094038 5.629817 6.405502 7.495123 4.893737 7.299314 7.044721 6.896668 8.537359 7.671172 8.044734 4.127393 4.551517 2.164923 2.766790 3.356223 5.659570 1.091051 3.679392 4.402278 4.516834 8.324900 7.206960 7.334126 7.020895 6.770242 8.113831 7.985285 6.631933 6.751386 8.619413 8.502274 9.510115 8.719489 7.614812 7.095419 7.584722 8.196115 9.063557 4.827083 5.457108 2.610726 3.646218 1.776326 0.000000 4.899327 2.883000 5.078260 3.240115 2.023089 5.668780 4.448517 4.657257 6.661067 5.241533 6.697655 5.440714 5.350529 4.401419 4.021062 4.813643 3.760736 3.534907 4.412218 3.843864 3.987362 2.179102 3.357851 1.082357 7.459133 7.226724 6.345149 4.746062 4.811837 6.227330 7.509559 6.411079 7.233372 5.193960 5.895993 6.313149 6.230913 5.816151 5.024750 4.068381 4.144149 5.482657 4.349307 5.605132 3.522167 4.993852 4.790628 4.524842 0.000000 C19H25ClN2OS 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 0 339.7340999999997 AuxInfo=1/0/N:6;7;8;9;10;11;12;13;14;15;16;17;18;19;20;21;22;23;24;1;4;5;3;2;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/rA:49nCl0S0O0N0N0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:-3.2571,-.8624,-1.5615;-2.3649,-2.5231,1.1943;-2.1148,1.8364,-1.5746;-1.1005,1.7683,.4995;-.8376,1.1379,1.6507;3.7544,-.1875,-.2798;-.4547,3.1444,.337;2.471,-1.0308,-.2798;3.9064,.6472,-1.5624;3.7202,.775,.9285;4.9845,-1.1136,-.1597;-1.5538,4.2014,.1544;.5074,3.0865,-.8597;.3475,3.4845,1.5968;2.2084,-1.9058,.7903;1.5164,-.964,-1.2989;.0912,-2.5827,-.1782;1.0463,-2.6641,.8434;.3467,-1.7256,-1.2489;-1.8687,1.2218,-.5313;-1.2155,-3.3081,-.0782;-2.0218,-.8047,.869;-2.3362,-.1378,-.2799;-1.2717,-.0752,1.8339;4.837,1.2195,-1.5139;3.9497,.0135,-2.453;3.086,1.3584,-1.6868;2.8596,1.4466,.8655;3.6576,.2298,1.8737;4.6288,1.3849,.9496;5.9024,-.5177,-.165;4.9691,-1.6938,.7659;5.0277,-1.8132,-.9999;-2.235,4.193,1.0093;-2.1276,4.0502,-.7569;-1.0815,5.1853,.1047;1.0363,4.0398,-.9283;-.0116,2.9131,-1.8001;1.2454,2.2953,-.7114;1.1494,2.7689,1.7789;-.2854,3.5368,2.4833;.7951,4.4678,1.436;2.9198,-1.9899,1.6035;1.6618,-.3072,-2.1462;.8655,-3.3132,1.6941;-.3777,-1.6378,-2.0515;-1.7373,-3.3436,-1.0325;-1.1022,-4.3227,.3067;-1.0065,-.5335,2.7779; 0.2470728 0.1991458 0.1382076 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= 1177 RedAO= T EigKep= 1.01D-06 NBF= 1177 NBsUse= 1172 1.00D-06 EigRej= 9.09D-07 NBFU= 1172 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= 1296 1287 1289 1296 1296 MxSgAt= 49 MxSgA2= 49. 1 Closed 1 1 1 -1782.55971328168 -1782.62459190701 -0.064878625334 -1782.62442013510 0.000171771914 -1782.62496550580 -0.000545370703 -1782.62499916469 -0.000033658886 -1782.62500317596 -0.000004011273 -1782.62500371454 -0.000000538580 -1782.62500373777 -0.000000023230 -1782.62500374902 -0.000000011250 -1782.62500374945 -0.000000000431 -1782.62500374938 0.000000000075 -1782.62500374970 -0.000000000326 -1782.62500375 12 1.776415749567e+03 -9.281534706958e+03 3.175562489583e+03 Using DIIS extrapolation, IDIIS= 1040. NGot= 11324620800 LenX= 11321107880 LenY= 11319361518 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. PT26581.800S Fri Sep 6 06:35:05 2024 -101.57084 -88.86118 -19.10535 -14.41228 -14.37107 -10.29816 -10.26179 -10.23900 -10.23081 -10.22412 -10.20721 -10.18342 -10.18341 -10.17929 -10.17178 -10.17172 -10.16897 -10.16826 -10.15386 -10.15337 -10.15260 -10.14859 -10.14824 -10.14671 -9.48571 -7.94591 -7.24961 -7.24121 -7.24017 -5.90976 -5.90631 -5.90003 -1.07597 -1.02812 -0.90584 -0.87188 -0.86662 -0.82827 -0.81185 -0.80025 -0.77724 -0.74672 -0.73261 -0.69405 -0.69076 -0.68190 -0.67917 -0.67853 -0.65953 -0.63157 -0.60490 -0.59207 -0.58204 -0.56121 -0.54618 -0.50998 -0.49689 -0.48894 -0.47773 -0.46844 -0.46325 -0.45342 -0.44416 -0.44164 -0.43951 -0.43562 -0.42886 -0.42403 -0.42091 -0.42023 -0.41119 -0.39450 -0.39260 -0.38984 -0.38499 -0.38302 -0.37947 -0.37312 -0.36882 -0.36363 -0.35964 -0.35611 -0.34988 -0.34610 -0.34210 -0.34012 -0.33010 -0.32435 -0.32142 -0.31943 -0.31287 -0.29849 -0.27271 -0.26219 -0.25197 -0.24578 -0.23878 -0.08338 -0.02867 -0.02633 -0.01234 -0.01113 0.00196 0.01198 0.01569 0.01895 0.02108 0.02717 0.03277 0.03360 0.03748 0.04064 0.04611 0.05061 0.05275 0.05371 0.05538 0.05621 0.06003 0.06863 0.07328 0.07426 0.07588 0.07827 0.07953 0.08370 0.08535 0.08968 0.09263 0.09407 0.09767 0.09948 0.10451 0.10681 0.10835 0.11272 0.11648 0.11804 0.12061 0.12552 0.12782 0.12888 0.13219 0.13386 0.13805 0.13946 0.14163 0.14584 0.14758 0.14992 0.15488 0.15544 0.15904 0.16204 0.16366 0.16416 0.16742 0.16920 0.17326 0.17388 0.17742 0.18168 0.18529 0.18828 0.18988 0.19284 0.19448 0.19592 0.19760 0.20076 0.20324 0.20565 0.20721 0.20949 0.21142 0.21408 0.21520 0.21676 0.22026 0.22141 0.22325 0.22648 0.22810 0.23112 0.23220 0.23348 0.23510 0.24383 0.24545 0.24620 0.24805 0.24989 0.25110 0.25372 0.25438 0.25591 0.25819 0.26049 0.26353 0.26660 0.26806 0.26945 0.27323 0.27469 0.27710 0.27897 0.28073 0.28286 0.28863 0.29042 0.29511 0.29626 0.29983 0.30098 0.30414 0.30704 0.30925 0.31068 0.31465 0.31948 0.32223 0.32262 0.32794 0.32925 0.33316 0.33554 0.33951 0.34284 0.34642 0.34806 0.35058 0.35339 0.35669 0.36136 0.36331 0.36477 0.36746 0.37019 0.37330 0.37868 0.38241 0.38423 0.38711 0.38989 0.39680 0.40104 0.40325 0.40689 0.40875 0.41112 0.41591 0.41732 0.42513 0.42884 0.43146 0.43548 0.43854 0.43906 0.44492 0.44670 0.45003 0.45466 0.45862 0.46295 0.46418 0.47422 0.47715 0.47801 0.47944 0.48603 0.48973 0.49542 0.49624 0.50185 0.50384 0.50853 0.51119 0.51419 0.51665 0.51937 0.52623 0.52960 0.53206 0.53335 0.53850 0.54280 0.54610 0.54962 0.55236 0.55331 0.55653 0.55851 0.56135 0.56573 0.57031 0.57377 0.57519 0.57814 0.58363 0.58659 0.58854 0.59110 0.59516 0.59594 0.60010 0.60508 0.60582 0.61007 0.61390 0.61645 0.61840 0.62125 0.62197 0.62664 0.62957 0.63041 0.63597 0.63966 0.64298 0.64767 0.64950 0.65475 0.65980 0.66290 0.66543 0.66946 0.67092 0.67359 0.67629 0.68199 0.68352 0.68755 0.69033 0.69451 0.69934 0.70442 0.70948 0.71433 0.71698 0.71891 0.72437 0.72600 0.73257 0.73721 0.73999 0.74389 0.74692 0.75284 0.75428 0.75757 0.76094 0.76448 0.76580 0.76832 0.77309 0.77955 0.78563 0.79018 0.79091 0.79754 0.80456 0.80750 0.81093 0.81301 0.81691 0.82139 0.82711 0.82908 0.83340 0.83620 0.83692 0.84194 0.85060 0.85331 0.85887 0.86294 0.86547 0.86793 0.87692 0.88155 0.88654 0.88870 0.89842 0.90072 0.90483 0.90887 0.91405 0.91958 0.92128 0.92487 0.93612 0.94144 0.94362 0.95297 0.95490 0.96001 0.96586 0.97121 0.97679 0.98331 0.98777 0.99231 1.00557 1.00887 1.00956 1.01270 1.01433 1.02401 1.02656 1.03141 1.03778 1.04000 1.04122 1.04544 1.04720 1.05362 1.05736 1.06265 1.06733 1.07599 1.08310 1.08411 1.08826 1.09348 1.09867 1.09998 1.10274 1.10928 1.11293 1.12097 1.12205 1.12401 1.12761 1.13502 1.13808 1.14789 1.14831 1.15412 1.15795 1.16295 1.16770 1.17498 1.17959 1.18042 1.18338 1.18649 1.19062 1.19647 1.20090 1.20261 1.20494 1.20912 1.21661 1.21763 1.22161 1.22559 1.22996 1.23772 1.24160 1.24638 1.24908 1.25131 1.25484 1.25899 1.26489 1.26989 1.27095 1.27165 1.27748 1.28333 1.28773 1.28863 1.29736 1.29934 1.30331 1.30529 1.31263 1.31769 1.31907 1.32276 1.33095 1.33521 1.34043 1.34300 1.35108 1.35283 1.36040 1.36386 1.36851 1.36911 1.37346 1.37947 1.38412 1.38780 1.39223 1.40096 1.40378 1.41241 1.41454 1.42130 1.42219 1.42815 1.43389 1.44006 1.44031 1.44740 1.45313 1.45394 1.45921 1.46277 1.46474 1.46992 1.47135 1.47587 1.48272 1.48824 1.49131 1.49872 1.50601 1.50769 1.50903 1.51450 1.51943 1.52291 1.53010 1.53211 1.53488 1.54318 1.54483 1.54627 1.55370 1.55630 1.56386 1.56948 1.57034 1.57583 1.57881 1.58394 1.58637 1.58822 1.59066 1.60150 1.60506 1.60903 1.61726 1.61959 1.62225 1.62760 1.64505 1.65100 1.65730 1.66402 1.67528 1.68010 1.68652 1.68755 1.69581 1.69801 1.70333 1.71705 1.72357 1.72783 1.73459 1.73655 1.74110 1.74936 1.75327 1.75954 1.76106 1.77238 1.78443 1.79574 1.80373 1.80859 1.81486 1.82058 1.82569 1.83175 1.83806 1.84409 1.84943 1.85655 1.86121 1.86885 1.87585 1.88131 1.89126 1.89335 1.89621 1.90271 1.90798 1.91109 1.92126 1.92892 1.93070 1.94063 1.95046 1.96105 1.96453 1.97680 1.97974 1.98863 1.99861 2.01084 2.02768 2.03063 2.03387 2.04479 2.04967 2.05662 2.05909 2.06517 2.07511 2.07874 2.08076 2.09302 2.10086 2.10624 2.11242 2.11522 2.12737 2.13025 2.13627 2.14142 2.14647 2.15163 2.16192 2.16516 2.17038 2.17246 2.18486 2.18817 2.19732 2.20404 2.21151 2.22134 2.22610 2.23491 2.24122 2.24329 2.24975 2.25564 2.26323 2.27416 2.28528 2.29739 2.30576 2.30992 2.32634 2.32762 2.34745 2.34902 2.35406 2.36526 2.36942 2.38298 2.39111 2.39995 2.40890 2.41976 2.42730 2.43480 2.44852 2.46224 2.48186 2.48702 2.50958 2.51420 2.52156 2.52763 2.53051 2.53293 2.54157 2.55014 2.55998 2.57419 2.57961 2.59302 2.60079 2.60844 2.61611 2.63593 2.65865 2.69827 2.70097 2.71300 2.72810 2.74042 2.76144 2.77950 2.78820 2.80001 2.80484 2.80518 2.82682 2.83726 2.84384 2.85413 2.86331 2.86953 2.87128 2.87762 2.87995 2.88753 2.89150 2.89689 2.90333 2.90582 2.90912 2.91377 2.92882 2.93309 2.93872 2.94447 2.95081 2.95154 2.95542 2.96515 2.96851 2.97472 2.98205 2.99330 2.99726 3.00179 3.00505 3.00832 3.01583 3.02029 3.03628 3.03804 3.04749 3.05017 3.05650 3.06562 3.07104 3.08314 3.08775 3.09213 3.09974 3.10708 3.11722 3.12919 3.13432 3.14027 3.14701 3.14847 3.14951 3.15376 3.16287 3.16808 3.17512 3.18368 3.19221 3.19469 3.19984 3.21065 3.21148 3.21558 3.22907 3.23567 3.24002 3.24365 3.24993 3.26045 3.26898 3.27442 3.27769 3.28133 3.29126 3.29544 3.29776 3.30197 3.30685 3.30924 3.31265 3.32141 3.32340 3.33079 3.33302 3.34130 3.34868 3.35886 3.36410 3.37047 3.37761 3.38672 3.38775 3.40197 3.40842 3.40919 3.42132 3.42647 3.43363 3.44199 3.44293 3.45564 3.46243 3.46907 3.47348 3.48562 3.49192 3.49626 3.50265 3.50722 3.50782 3.51662 3.52168 3.53934 3.54325 3.54775 3.56180 3.57299 3.57829 3.58635 3.59151 3.60218 3.60835 3.61811 3.62267 3.64249 3.64271 3.65632 3.66293 3.66868 3.67604 3.67816 3.70502 3.71502 3.72030 3.74059 3.74924 3.75651 3.77648 3.78215 3.78445 3.80021 3.82022 3.82581 3.83269 3.84293 3.85487 3.85718 3.86820 3.87709 3.88438 3.88653 3.89223 3.91303 3.91787 3.93081 3.94054 3.94337 3.94639 3.95784 3.96378 3.96558 3.98088 3.98874 3.99523 3.99970 4.00987 4.01487 4.02838 4.04467 4.05552 4.06451 4.08972 4.09257 4.10227 4.11531 4.12248 4.13727 4.15235 4.15579 4.17499 4.18000 4.19496 4.23058 4.23355 4.24894 4.25370 4.27500 4.27905 4.28391 4.28927 4.29924 4.30330 4.32375 4.33047 4.33769 4.34946 4.35687 4.36493 4.37500 4.37705 4.37938 4.38526 4.39260 4.39865 4.40143 4.40365 4.40975 4.41128 4.41445 4.41925 4.42907 4.43848 4.44800 4.45522 4.46232 4.46585 4.46859 4.47837 4.48677 4.49535 4.50488 4.51551 4.52105 4.52882 4.53293 4.53798 4.54330 4.55355 4.55954 4.56786 4.57461 4.58288 4.58649 4.60158 4.60482 4.61113 4.61663 4.62798 4.63857 4.64159 4.64670 4.65433 4.66331 4.66670 4.67097 4.67547 4.68782 4.69129 4.71157 4.72911 4.73725 4.73931 4.75936 4.76089 4.77640 4.78483 4.79055 4.80485 4.80856 4.81888 4.82590 4.82720 4.84533 4.85868 4.87178 4.88619 4.90423 4.92547 4.92748 4.93958 4.96155 4.97804 5.00623 5.01863 5.03122 5.04620 5.08452 5.09462 5.12749 5.13525 5.14238 5.16368 5.17741 5.20298 5.24228 5.25406 5.32151 5.33906 5.36899 5.38980 5.39868 5.42018 5.44555 5.46145 5.48100 5.48308 5.48881 5.50439 5.51966 5.54501 5.57371 5.59406 5.60602 5.68397 5.73279 5.76025 5.76908 5.78595 5.81323 5.82714 5.83251 5.84056 5.84182 5.84744 5.85336 5.85914 5.86822 5.89141 5.89887 5.90832 5.91503 5.91772 5.95168 5.96465 5.97991 6.00602 6.05201 6.06656 6.11681 6.20276 6.27948 6.59210 6.72633 6.89645 7.02002 7.13770 7.14891 7.18162 7.18780 7.19719 7.21410 7.22198 7.23369 7.24850 7.26156 7.27458 7.27966 7.28564 7.28678 7.28829 7.30515 7.32200 7.32797 7.32872 7.33467 7.34152 7.35026 7.36406 7.36677 7.37350 7.39444 7.40749 7.41831 7.45849 7.46833 7.48352 7.49961 7.51881 7.52158 7.54695 7.56255 7.56765 7.57448 7.59899 7.61061 7.61713 7.63371 7.66060 7.66559 7.67443 7.69512 7.70447 7.71262 7.72697 7.76024 7.77225 7.79340 7.80453 7.82578 7.83701 7.85825 7.86899 7.89050 7.90022 7.91120 7.92083 7.96984 7.98180 7.98441 7.99232 8.00234 8.02290 8.03025 8.03495 8.04328 8.07948 8.10974 8.14761 8.15486 8.20441 8.27141 8.29245 8.29738 8.32952 8.33859 8.35112 8.36063 8.38460 8.41113 8.43710 8.45111 8.49105 8.60955 8.64863 8.65715 8.68624 8.71781 8.72964 8.76965 8.94393 9.39538 10.14263 10.21293 10.45186 10.51020 10.53271 10.85618 10.86523 10.98953 11.09449 11.48617 11.93308 14.45605 14.49256 14.67767 14.83828 15.10772 17.64288 17.93306 17.96446 24.08764 24.27085 24.30748 24.33823 24.40962 24.41456 24.42292 24.45709 24.46121 24.52276 24.53287 24.95496 25.00773 25.14751 25.18687 25.35222 25.43554 25.55773 25.78596 26.36940 27.21943 28.56151 36.11378 36.30103 50.46090 189.68946 216.16826 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 49 Cl S 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 H H -0.976827 -0.404723 -0.888339 0.032786 -0.542131 -0.390250 -0.660172 0.991625 -0.494056 -0.614830 -0.386160 -0.234358 -0.425717 -0.291692 -0.564901 -0.526515 0.761783 -0.623547 -0.283667 0.021398 -0.224001 0.784919 1.886734 -0.486226 0.152379 0.165340 0.196460 0.263082 0.165115 0.157554 0.159287 0.165550 0.154287 0.162352 0.186978 0.172695 0.172582 0.186858 0.356721 0.207045 0.175356 0.173209 0.155804 0.157145 0.153639 0.141804 0.160602 0.193478 0.203543 -0.00000 4.6416 -0.7761 3.2044 5.6934 -167.0600 -148.2835 -164.4840 7.1510 -5.6532 4.6170 -7.1175 11.6590 -4.5415 7.1510 -5.6532 4.6170 38.6342 18.0217 4.4300 -5.7408 8.0313 18.6189 7.9452 -17.9044 15.8847 -30.7704 -5841.9621 -4200.0809 -1430.1306 31.0006 13.8893 103.1204 12.6863 15.6298 12.4649 -1790.2710 -1230.1022 -1024.8669 44.0037 19.1284 16.3159 (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A) (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(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-FUENLABRADA ALCAMI 2024-09-06T00:00:00.000 0 Single Point Pyridaben CONF131 water 0 1 Version=EM64L-G16RevC.01 State=1-A HF=-1782.6250037 RMSD=4.484e-09 Dipole=1.5455684,0.9440683,1.318102 Quadrupole=-4.2254968,7.8091975,-3.5837007,-6.1241192,-5.6248558,0.0080209 PG=C01 [X(C19H25Cl1N2O1S1)] 0 -1.790119418 -2.7243828904 -1.6956655667 0 -0.0710256937 -3.4584759553 1.0708794443 0 -2.7261486971 0.0522099188 -1.6419821092 0 -1.9599980107 0.6110789263 0.4641489822 0 -1.3660534861 0.2790336839 1.6168310547 0 2.9830260922 2.3897244774 -0.1720557239 0 -2.387018359 2.0735091276 0.3379068387 0 2.5826520627 0.908112783 -0.2240985699 0 2.5663009353 3.1536333924 -1.4400347507 0 2.2969434967 3.050592246 1.0444813135 0 4.5154765639 2.5086901912 -0.0204517539 0 -3.9071119247 2.1411788775 0.129614279 0 -1.6072724792 2.7040711537 -0.8262699123 0 -2.0355639568 2.8217201268 1.627464894 0 2.9473321673 0.047128517 0.827364557 0 1.842880755 0.3560503899 -1.2739427012 0 1.8305438084 -1.8335298855 -0.21887627 0 2.5802933938 -1.2920931824 0.8333500115 0 1.4723354646 -0.9906531376 -1.2713201178 0 -2.1532671115 -0.2759528403 -0.5975594471 0 1.3326436915 -3.2453644663 -0.170409535 0 -0.9486268888 -1.9356853647 0.7753704121 0 -1.6053922069 -1.6105029133 -0.3763809254 0 -0.8890871437 -0.9218231591 1.7725741751 0 2.8816872425 4.1971361535 -1.3542313918 0 3.0353045188 2.7351228658 -2.3352111523 0 1.4829866774 3.1455540957 -1.5843654971 0 1.2088108036 2.9844959294 0.9596012706 0 2.5946822737 2.5727341782 1.9812384219 0 2.5715088765 4.1085709616 1.102473142 0 4.8066631129 3.563116373 0.0113590855 0 4.872017354 2.0365100737 0.8979319374 0 5.0272014915 2.0393497936 -0.8660584321 0 -4.4265911925 1.6576335155 0.9610222124 0 -4.2194887132 1.6752335204 -0.8019998166 0 -4.2057695711 3.1918182684 0.1061995366 0 -1.8429367762 3.769934903 -0.8670799867 0 -1.863336593 2.2587670448 -1.7853839304 0 -0.5330190973 2.5968973809 -0.6615929482 0 -0.9643263441 2.8124740958 1.828926942 0 -2.5597650994 2.4145696054 2.492743716 0 -2.3503105842 3.8589164078 1.4921930282 0 3.5205195341 0.4313173886 1.6630341142 0 1.5312125118 0.9692576796 -2.1088786131 0 2.8603067416 -1.9231914994 1.6705963226 0 0.8869037012 -1.380918858 -2.0968406639 0 0.9832605691 -3.5890781661 -1.1420779449 0 2.0835567832 -3.9409541071 0.2073171903 0 -0.4038579694 -1.1173339133 2.7201106512