Gaussian 16 GINC-HAMILTON20 APULGAR Optimization pyraoxystrobin CONF30 water EM64L-G16RevC.01 7-Oct-2024 Gaussian 16 3-Jul-2019 EM64L-G16RevC.01 50 50 108 108 772 (5D, 7F) 6-311+G(d,p) 144 144 C1[X(C22H21ClN2O4)] C1[X(C22H21ClN2O4)] RB3LYP 6-311+G(d,p) FOpt #P B3LYP 6-311+G(d,p) EmpiricalDispersion=gd3 scrf=(smd,Solvent=Water) opt freq 391.6993999999997 0 1 AuxInfo=1/0/N:8;9;10;11;12;13;14;15;16;17;18;19;20;21;22;23;24;25;26;27;28;29;1;6;7;2;3;4;5;30;31;32;33;34;35;36;37;38;39;40;41;42;43;44;45;46;47;48;49;50/rA:50nCl0O0O0O0O0N0N0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:6.1378,-2.3545,1.3842;-1.6244,1.1159,-2.5651;-1.1825,-.9853,1.2294;-1.5836,3.6408,1.3316;.5382,.1885,2.034;-.7682,-1.0346,-2.4223;.2928,-1.7107,-1.9758;-3.0591,1.5438,-.664;-2.0467,2.1124,-1.6184;-.6748,.2775,-2.1396;-2.7542,1.1646,.6481;1.0653,-.8131,-1.3821;.5046,.4753,-1.4605;-4.3563,1.3577,-1.1431;2.3186,-1.197,-.7327;-3.7654,.6274,1.4475;-1.3989,1.3229,1.2293;-5.3477,.8143,-.3453;-1.8344,-1.6921,-3.1396;-5.0493,.4512,.9615;2.7083,-2.5342,-.6405;3.1427,-.2286,-.1601;3.8786,-2.8955,.0053;4.3184,-.5746,.4852;-.5704,.1528,1.5354;-.897,2.5296,1.5462;4.6763,-1.9102,.5666;-.5246,-2.2047,1.5707;-.9234,4.8628,1.6599;-2.5005,2.8996,-2.2186;-1.1799,2.54,-1.1164;.8866,1.4032,-1.069;-4.5902,1.6548,-2.1587;-3.5393,.3498,2.4695;-6.3482,.6827,-.7358;-1.8057,-1.4541,-4.2019;-2.8018,-1.401,-2.7358;-1.7156,-2.7637,-3.0166;-5.8163,.036,1.6021;2.0895,-3.3109,-1.0693;2.876,.8185,-.2148;4.1602,-3.9375,.0724;4.9425,.1933,.9217;.0918,2.6334,1.9859;.4193,-2.3203,1.0418;-.3463,-2.2741,2.6431;-1.1998,-3.0003,1.2712;-.6426,4.8863,2.7136;-.0358,5.0052,1.0427;-1.6292,5.6642,1.4608; g16 /usr/local/gaussian/gaussian16/g16/l1.exe "/temporal/apulgar/opt-b3lyp-pople.com-6499993/Gau-2230596.inp" -scrdir="/temporal/apulgar/opt-b3lyp-pople.com-6499993/" 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 pyraoxystrobin CONF30 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 50 35 16 16 16 16 14 14 12 12 12 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 34.9688527 15.9949146 15.9949146 15.9949146 15.9949146 14.0030740 14.0030740 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 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 3 0 0 0 0 2 2 0 0 0 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 -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 -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 R51 R52 1 2 2 3 3 4 4 5 6 6 6 7 8 8 8 9 9 10 11 11 12 12 13 14 14 15 15 16 16 17 17 18 18 19 19 19 20 21 21 22 22 23 23 24 24 26 28 28 28 29 29 29 27 9 10 25 28 26 29 25 7 10 19 12 9 11 14 30 31 13 16 17 13 15 32 18 33 21 22 20 34 25 26 20 35 36 37 38 39 23 40 24 41 27 42 27 43 44 45 46 47 48 49 50 1.7325 1.4379 1.3362 1.3281 1.427 1.3237 1.4272 1.2161 1.3351 1.3455 1.4434 1.3247 1.5031 1.3994 1.3953 1.0889 1.0891 1.3752 1.3965 1.4832 1.4074 1.4629 1.0771 1.3838 1.0837 1.3959 1.3946 1.3841 1.0829 1.466 1.3448 1.3887 1.082 1.089 1.088 1.0852 1.0821 1.3846 1.0817 1.385 1.0819 1.3864 1.0815 1.3852 1.0815 1.0871 1.0881 1.0893 1.0856 1.0907 1.0904 1.0863 estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|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 9 25 26 7 7 10 6 9 9 11 2 2 2 8 8 30 2 2 6 8 8 16 7 7 13 10 10 12 8 8 18 12 12 21 11 11 20 11 11 25 14 14 20 6 6 6 36 36 37 16 16 18 15 15 23 15 15 24 21 21 27 22 22 27 3 3 5 4 4 17 1 1 23 3 3 3 45 45 46 4 4 4 48 48 49 2 3 4 6 6 6 7 8 8 8 9 9 9 9 9 9 10 10 10 11 11 11 12 12 12 13 13 13 14 14 14 15 15 15 16 16 16 17 17 17 18 18 18 19 19 19 19 19 19 20 20 20 21 21 21 22 22 22 23 23 23 24 24 24 25 25 25 26 26 26 27 27 27 28 28 28 28 28 28 29 29 29 29 29 29 10 28 29 10 19 19 12 11 14 14 8 30 31 30 31 31 6 13 13 16 17 17 13 15 15 12 32 32 18 33 33 21 22 22 20 34 34 25 26 26 20 35 35 36 37 38 37 38 38 18 39 39 23 40 40 24 41 41 27 42 42 27 43 43 5 17 17 17 44 44 23 24 24 45 46 47 46 47 47 48 49 50 49 50 50 115.7163 117.6903 116.2008 111.6185 121.5009 126.8666 105.6745 123.4425 117.2963 119.2359 110.7169 105.1054 109.9839 110.0464 113.0728 107.5652 119.7079 132.5649 107.6729 118.8943 122.5255 118.5776 111.2882 121.3836 127.3225 103.7384 127.4136 128.8376 121.3663 119.0717 119.5595 121.3238 120.4211 118.2389 121.3089 119.1898 119.5001 120.8722 121.9428 117.1354 119.4239 120.141 120.4328 111.4518 110.5161 108.218 109.0879 108.8783 108.6279 119.7639 119.8974 120.3381 121.1097 120.1294 118.7587 121.2951 120.3734 118.331 119.3259 120.0267 120.6467 119.1834 120.0347 120.7814 122.6715 112.0483 125.2661 121.435 117.2065 121.358 119.6176 119.5364 120.8458 111.9908 111.4232 105.8705 109.2589 109.1271 109.067 111.0826 110.9869 106.7909 109.5391 109.1764 109.198 estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|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 10 10 10 9 9 28 28 25 25 25 29 29 26 26 26 10 19 7 7 19 19 7 7 7 10 10 10 6 6 11 11 11 14 14 14 9 9 14 14 9 9 11 11 2 2 6 6 8 8 17 17 8 8 16 16 7 7 15 15 7 7 13 13 8 8 33 33 12 12 22 22 12 12 21 21 11 11 34 34 11 11 26 26 11 11 25 25 14 14 35 35 15 15 40 40 15 15 41 41 21 21 42 42 22 22 43 43 2 2 2 2 2 3 3 3 3 3 4 4 4 4 4 6 6 6 6 6 6 6 6 6 6 6 6 7 7 8 8 8 8 8 8 8 8 8 8 8 8 8 8 10 10 10 10 11 11 11 11 11 11 11 11 12 12 12 12 12 12 12 12 14 14 14 14 15 15 15 15 15 15 15 15 16 16 16 16 17 17 17 17 17 17 17 17 18 18 18 18 21 21 21 21 22 22 22 22 23 23 23 23 24 24 24 24 9 9 9 10 10 25 25 28 28 28 26 26 29 29 29 7 7 10 10 10 10 19 19 19 19 19 19 12 12 9 9 9 9 9 9 11 11 11 11 14 14 14 14 13 13 13 13 16 16 16 16 17 17 17 17 13 13 13 13 15 15 15 15 18 18 18 18 21 21 21 21 22 22 22 22 20 20 20 20 25 25 25 25 26 26 26 26 20 20 20 20 23 23 23 23 24 24 24 24 27 27 27 27 27 27 27 27 8 30 31 6 13 5 17 45 46 47 17 44 48 49 50 12 12 2 13 2 13 36 37 38 36 37 38 13 15 2 30 31 2 30 31 16 17 16 17 18 33 18 33 12 32 12 32 20 34 20 34 25 26 25 26 10 32 10 32 21 22 21 22 20 35 20 35 23 40 23 40 24 41 24 41 18 39 18 39 3 5 3 5 4 44 4 44 16 39 16 39 27 42 27 42 27 43 27 43 1 24 1 24 1 23 1 23 -82.1985 159.0063 43.4895 137.6959 -45.3475 3.2834 -175.4207 -63.1485 59.574 178.0229 -177.5637 2.1932 -59.0221 63.1049 -177.9723 0.8618 179.5877 177.1031 -0.5448 -1.539 -179.1869 -106.4618 132.0588 13.2288 72.0576 -49.4218 -168.2518 -0.8501 178.3376 102.6207 -141.6207 -21.3146 -75.5334 40.2252 160.5313 -179.0372 1.5536 -0.917 179.6738 178.6437 -1.9318 0.4088 179.8333 -177.2154 3.8831 0.0104 -178.891 0.7611 -178.852 -179.8061 0.5808 -110.9953 71.6417 69.5937 -107.7693 0.5298 179.4096 -178.5982 0.2816 -4.0513 177.4344 174.997 -3.5173 0.2843 179.7342 -179.1374 0.3125 -178.3237 1.1341 0.222 179.6798 178.5484 -1.6866 -0.011 179.7541 -0.0716 -179.7842 179.5403 -0.1723 0.0871 -178.5769 177.5727 -1.0913 -1.1964 179.0568 -178.6532 1.6 -0.4535 179.2579 -179.9017 -0.1904 -0.1271 179.5742 -179.5922 0.1092 -0.2902 179.9672 179.94 0.1974 179.6595 -0.1837 -0.04 -179.8831 -179.4543 0.389 0.2864 -179.8704 estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|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 801 A 772 A 1229 801 2975.5043837671 50 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= 772 RedAO= T EigKep= 1.30D-06 NBF= 772 NBsUse= 765 1.00D-06 EigRej= 9.69D-07 NBFU= 765 Berny optimization. local minimum Step number 34 out of a maximum of 254 All quantities printed in internal units (Hartrees-Bohrs-Radians) 0.00026 0.00196 0.00386 0.00523 0.00744 0.00765 0.01316 0.01331 0.01456 0.01705 0.01815 0.01882 0.01907 0.02039 0.02120 0.02183 0.02199 0.02211 0.02214 0.02228 0.02230 0.02259 0.02261 0.02267 0.02273 0.02280 0.02281 0.02283 0.02287 0.02289 0.02478 0.02568 0.02824 0.02909 0.03380 0.03501 0.04474 0.05790 0.06919 0.07689 0.08027 0.08592 0.10248 0.10268 0.10682 0.10715 0.11699 0.12986 0.14668 0.15234 0.15793 0.15942 0.15984 0.15996 0.15999 0.16000 0.16000 0.16002 0.16002 0.16004 0.16009 0.16014 0.16019 0.16057 0.16105 0.16154 0.16476 0.17346 0.21861 0.21993 0.22023 0.22453 0.22681 0.23416 0.23779 0.24187 0.24460 0.24584 0.24707 0.24895 0.24926 0.25003 0.25020 0.25072 0.25087 0.25208 0.25460 0.26619 0.27106 0.28527 0.30433 0.32045 0.32855 0.34573 0.34728 0.34775 0.34881 0.34939 0.34979 0.35112 0.35168 0.35229 0.35265 0.35331 0.35543 0.35573 0.35600 0.35718 0.35748 0.35766 0.35788 0.35796 0.35814 0.35906 0.36358 0.36558 0.37289 0.38767 0.39289 0.41274 0.41810 0.42389 0.42710 0.43094 0.43150 0.43222 0.46294 0.46843 0.47165 0.47308 0.47586 0.47790 0.48094 0.48304 0.51308 0.52432 0.55971 0.57599 0.58535 0.59221 0.59558 0.61812 0.96825 1.52767 -1.99041194e-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 R51 R52 A1 A2 A3 A4 A5 A6 A7 A8 A9 A10 A11 A12 A13 A14 A15 A16 A17 A18 A19 A20 A21 A22 A23 A24 A25 A26 A27 A28 A29 A30 A31 A32 A33 A34 A35 A36 A37 A38 A39 A40 A41 A42 A43 A44 A45 A46 A47 A48 A49 A50 A51 A52 A53 A54 A55 A56 A57 A58 A59 A60 A61 A62 A63 A64 A65 A66 A67 A68 A69 A70 A71 A72 A73 A74 A75 A76 A77 A78 A79 A80 A81 A82 A83 A84 A85 D1 D2 D3 D4 D5 D6 D7 D8 D9 D10 D11 D12 D13 D14 D15 D16 D17 D18 D19 D20 D21 D22 D23 D24 D25 D26 D27 D28 D29 D30 D31 D32 D33 D34 D35 D36 D37 D38 D39 D40 D41 D42 D43 D44 D45 D46 D47 D48 D49 D50 D51 D52 D53 D54 D55 D56 D57 D58 D59 D60 D61 D62 D63 D64 D65 D66 D67 D68 D69 D70 D71 D72 D73 D74 D75 D76 D77 D78 D79 D80 D81 D82 D83 D84 D85 D86 D87 D88 D89 D90 D91 D92 D93 D94 D95 D96 D97 D98 D99 D100 D101 D102 D103 D104 D105 D106 D107 3.34119 2.77432 2.55739 2.54131 2.73348 2.52712 2.73557 2.31882 2.55982 2.56567 2.74717 2.53785 2.84865 2.65890 2.64875 2.05755 2.05475 2.61162 2.65294 2.81694 2.67057 2.77644 2.03420 2.62602 2.05025 2.65196 2.65078 2.62658 2.04834 2.78235 2.55380 2.63865 2.04848 2.06369 2.05591 2.05861 2.04883 2.62810 2.04560 2.62993 2.04629 2.62992 2.04607 2.62751 2.04582 2.05248 2.05735 2.06218 2.05507 2.06375 2.06342 2.05554 2.00162 2.03959 2.02321 1.94349 2.11442 2.22481 1.84040 2.14960 2.05015 2.08239 1.93076 1.81332 1.89515 1.93693 1.97843 1.90152 2.10031 2.30133 1.88093 2.07356 2.13921 2.07032 1.93954 2.11622 2.22735 1.82015 2.21147 2.25150 2.11784 2.07344 2.09190 2.11592 2.10142 2.06552 2.11735 2.07460 2.09123 2.11470 2.13854 2.02936 2.08424 2.09734 2.10159 1.93180 1.89578 1.90179 1.91251 1.91286 1.90887 2.09096 2.09213 2.10009 2.11434 2.09104 2.07780 2.11509 2.09794 2.07000 2.07681 2.10259 2.10378 2.07604 2.10264 2.10447 2.12982 1.96300 2.19035 2.12788 2.04013 2.11517 2.08231 2.08232 2.11855 1.93294 1.91872 1.83654 1.92153 1.92610 1.92655 1.92204 1.91923 1.84904 1.92849 1.92172 1.92184 -1.26052 2.94302 0.92096 2.17030 -1.01396 0.04848 -3.08795 -1.00311 1.12420 -3.08446 -3.09622 0.04425 -1.03965 1.08955 -3.11732 0.02246 3.13356 3.08708 -0.02114 -0.02163 -3.12985 -1.33617 2.84663 0.76849 1.76964 -0.33075 -2.40889 -0.01530 3.11333 1.85991 -2.41999 -0.27354 -1.23203 0.77125 2.91770 -3.09635 0.06061 -0.00529 -3.13151 3.09230 -0.04388 -0.00162 -3.13781 -3.09225 0.06020 0.01067 -3.12007 0.00869 -3.13653 3.13552 -0.00970 -2.07027 1.10950 1.08667 -2.01675 0.00300 3.13339 -3.12460 0.00579 0.16161 -2.95210 -2.99525 0.17423 0.00531 3.14095 3.14144 -0.00610 -3.11044 0.02831 0.00383 -3.14061 3.11277 -0.00929 -0.00174 -3.12380 -0.00507 -3.14145 3.14018 0.00380 0.06653 -3.06969 -3.11097 0.03600 -0.01234 3.13042 -3.11750 0.02526 -0.00197 3.13439 -3.13760 -0.00124 -0.00163 3.14028 -3.14040 0.00150 -0.00249 -3.13516 3.11988 -0.01279 3.13782 -0.00277 -0.00408 3.13851 -3.13579 0.00480 -0.00313 3.13746 0.00001 -0.00000 0.00000 -0.00000 0.00001 0.00001 0.00001 0.00000 -0.00000 -0.00001 0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00001 -0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00001 -0.00001 0.00000 0.00000 0.00001 0.00001 0.00000 0.00000 -0.00000 -0.00001 0.00000 0.00000 -0.00001 -0.00000 0.00000 -0.00000 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 -0.00001 -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 -0.00001 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00001 -0.00000 -0.00000 -0.00000 -0.00001 0.00001 0.00001 -0.00000 0.00000 0.00000 0.00000 -0.00000 0.00001 -0.00001 0.00001 -0.00001 0.00000 -0.00001 0.00000 0.00000 -0.00001 0.00001 -0.00001 -0.00000 0.00001 0.00000 -0.00002 0.00001 -0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00001 -0.00000 -0.00001 -0.00000 0.00000 -0.00000 0.00001 -0.00001 -0.00000 0.00000 0.00001 -0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00001 -0.00000 -0.00000 0.00001 -0.00000 -0.00000 -0.00001 0.00000 0.00001 0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00001 0.00003 0.00003 0.00009 0.00003 -0.00001 -0.00002 0.00002 0.00002 0.00002 -0.00030 -0.00027 -0.00004 -0.00004 -0.00004 0.00001 -0.00008 -0.00006 -0.00001 0.00004 0.00009 0.00031 0.00031 0.00032 0.00020 0.00020 0.00021 -0.00000 -0.00001 -0.00005 -0.00006 -0.00007 -0.00004 -0.00005 -0.00006 0.00004 0.00008 0.00002 0.00007 -0.00003 -0.00003 -0.00001 -0.00001 0.00006 0.00006 0.00001 0.00000 -0.00001 -0.00001 -0.00005 -0.00005 -0.00004 -0.00001 0.00001 0.00003 -0.00000 0.00000 0.00000 0.00000 -0.00020 -0.00020 -0.00020 -0.00020 -0.00001 -0.00001 -0.00001 -0.00001 -0.00000 -0.00001 -0.00000 -0.00001 0.00000 -0.00001 -0.00000 -0.00001 -0.00001 -0.00000 -0.00002 -0.00001 -0.00002 -0.00002 -0.00004 -0.00005 0.00000 -0.00003 0.00003 -0.00001 0.00002 0.00001 0.00002 0.00002 0.00000 -0.00000 0.00001 0.00001 0.00000 -0.00000 0.00001 0.00001 -0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00001 0.00001 0.00000 -0.00001 0.00001 0.00000 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 -0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00001 0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00001 -0.00001 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00001 -0.00001 -0.00000 0.00000 -0.00001 -0.00002 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 -0.00001 0.00001 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 -0.00001 0.00001 0.00000 -0.00001 0.00001 0.00001 0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 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 0.00001 -0.00001 -0.00001 -0.00000 0.00001 0.00001 0.00000 -0.00001 0.00000 -0.00000 0.00001 0.00000 0.00000 0.00010 0.00009 0.00011 -0.00012 -0.00010 0.00004 0.00002 0.00007 0.00007 0.00007 0.00007 -0.00003 -0.00007 -0.00007 -0.00007 0.00000 -0.00001 0.00000 -0.00001 0.00001 -0.00000 0.00002 0.00003 0.00002 0.00001 0.00003 0.00001 0.00001 0.00000 -0.00001 -0.00001 0.00000 0.00002 0.00002 0.00003 0.00003 0.00006 0.00001 0.00003 -0.00003 -0.00003 -0.00000 -0.00000 0.00000 0.00003 0.00002 0.00005 -0.00001 0.00000 -0.00003 -0.00002 -0.00007 -0.00005 -0.00004 -0.00002 -0.00002 -0.00005 -0.00001 -0.00004 0.00003 0.00003 0.00002 0.00002 -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 -0.00001 -0.00001 -0.00004 -0.00006 -0.00006 -0.00009 -0.00008 0.00002 -0.00006 0.00004 0.00001 0.00001 0.00001 0.00001 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00002 -0.00000 0.00001 -0.00000 0.00002 0.00001 0.00002 0.00000 -0.00001 -0.00001 0.00000 0.00001 -0.00001 0.00001 -0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00001 -0.00001 -0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00001 0.00000 -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 -0.00001 -0.00001 0.00000 -0.00002 0.00001 0.00000 0.00001 -0.00001 -0.00000 0.00001 -0.00001 -0.00001 -0.00000 0.00002 -0.00001 0.00001 -0.00002 0.00000 -0.00000 -0.00001 0.00001 -0.00000 -0.00001 0.00001 -0.00000 -0.00003 0.00003 0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 0.00002 -0.00001 -0.00001 -0.00000 0.00000 0.00000 -0.00000 -0.00001 -0.00000 -0.00001 0.00001 0.00001 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00001 0.00000 0.00000 -0.00001 0.00001 0.00000 -0.00001 0.00001 0.00000 -0.00000 -0.00000 0.00000 -0.00001 -0.00001 0.00001 -0.00001 -0.00001 -0.00001 0.00001 0.00001 0.00001 -0.00001 0.00000 -0.00000 0.00001 0.00000 -0.00000 0.00012 0.00012 0.00014 -0.00003 -0.00008 0.00003 -0.00000 0.00009 0.00009 0.00009 -0.00023 -0.00029 -0.00011 -0.00011 -0.00011 0.00001 -0.00009 -0.00006 -0.00002 0.00005 0.00009 0.00032 0.00034 0.00034 0.00021 0.00023 0.00022 0.00000 -0.00001 -0.00006 -0.00007 -0.00007 -0.00002 -0.00003 -0.00003 0.00007 0.00014 0.00003 0.00010 -0.00005 -0.00005 -0.00002 -0.00002 0.00006 0.00010 0.00002 0.00005 -0.00002 -0.00000 -0.00008 -0.00007 -0.00010 -0.00005 -0.00004 0.00001 -0.00002 -0.00005 -0.00001 -0.00004 -0.00017 -0.00017 -0.00018 -0.00018 -0.00001 -0.00002 -0.00001 -0.00002 -0.00000 -0.00001 -0.00000 -0.00001 -0.00000 -0.00001 -0.00000 -0.00001 -0.00001 -0.00000 -0.00002 -0.00002 -0.00006 -0.00009 -0.00011 -0.00014 -0.00008 -0.00002 -0.00003 0.00003 0.00002 0.00002 0.00003 0.00002 0.00000 -0.00000 0.00001 0.00001 0.00000 0.00000 0.00001 0.00001 -0.00000 -0.00000 0.00000 0.00001 -0.00000 -0.00000 0.00000 0.00000 3.34120 2.77431 2.55740 2.54130 2.73351 2.52713 2.73559 2.31882 2.55981 2.56565 2.74717 2.53786 2.84865 2.65891 2.64874 2.05756 2.05475 2.61162 2.65294 2.81693 2.67057 2.77644 2.03421 2.62602 2.05025 2.65196 2.65078 2.62658 2.04834 2.78235 2.55381 2.63865 2.04848 2.06369 2.05591 2.05861 2.04883 2.62810 2.04560 2.62994 2.04629 2.62991 2.04607 2.62751 2.04582 2.05247 2.05735 2.06218 2.05507 2.06374 2.06342 2.05554 2.00162 2.03958 2.02321 1.94349 2.11441 2.22482 1.84040 2.14961 2.05014 2.08238 1.93077 1.81331 1.89515 1.93693 1.97844 1.90151 2.10032 2.30131 1.88093 2.07356 2.13920 2.07033 1.93953 2.11621 2.22736 1.82015 2.21144 2.25153 2.11784 2.07344 2.09189 2.11592 2.10142 2.06552 2.11735 2.07460 2.09123 2.11472 2.13853 2.02935 2.08424 2.09734 2.10159 1.93180 1.89577 1.90179 1.91250 1.91287 1.90887 2.09096 2.09212 2.10009 2.11434 2.09104 2.07781 2.11509 2.09793 2.07000 2.07681 2.10260 2.10378 2.07603 2.10264 2.10447 2.12981 1.96301 2.19035 2.12788 2.04013 2.11518 2.08231 2.08231 2.11857 1.93293 1.91871 1.83654 1.92154 1.92612 1.92656 1.92203 1.91923 1.84904 1.92850 1.92173 1.92184 -1.26040 2.94314 0.92110 2.17027 -1.01404 0.04851 -3.08795 -1.00302 1.12429 -3.08437 -3.09646 0.04395 -1.03976 1.08944 -3.11743 0.02247 3.13347 3.08702 -0.02116 -0.02158 -3.12977 -1.33584 2.84697 0.76883 1.76985 -0.33052 -2.40867 -0.01529 3.11332 1.85985 -2.42006 -0.27361 -1.23205 0.77122 2.91767 -3.09628 0.06075 -0.00526 -3.13141 3.09225 -0.04393 -0.00164 -3.13782 -3.09219 0.06029 0.01069 -3.12001 0.00867 -3.13654 3.13544 -0.00977 -2.07038 1.10945 1.08663 -2.01673 0.00299 3.13334 -3.12460 0.00576 0.16144 -2.95226 -2.99543 0.17405 0.00530 3.14094 3.14143 -0.00612 -3.11044 0.02830 0.00382 -3.14062 3.11276 -0.00930 -0.00174 -3.12381 -0.00508 -3.14146 3.14016 0.00378 0.06647 -3.06978 -3.11107 0.03587 -0.01242 3.13040 -3.11753 0.02529 -0.00195 3.13440 -3.13757 -0.00122 -0.00162 3.14027 -3.14039 0.00151 -0.00248 -3.13516 3.11989 -0.01279 3.13782 -0.00278 -0.00408 3.13851 -3.13580 0.00480 -0.00313 3.13746 |Maximum Force|RMS Force|Maximum Displacement|RMS Displacement| 0.000008 0.000001 0.001601 0.000286 0.000450 0.000300 0.001800 0.001200 YES YES YES YES -2.608326e-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 R51 R52 1 2 2 3 3 4 4 5 6 6 6 7 8 8 8 9 9 10 11 11 12 12 13 14 14 15 15 16 16 17 17 18 18 19 19 19 20 21 21 22 22 23 23 24 24 26 28 28 28 29 29 29 27 9 10 25 28 26 29 25 7 10 19 12 9 11 14 30 31 13 16 17 13 15 32 18 33 21 22 20 34 25 26 20 35 36 37 38 39 23 40 24 41 27 42 27 43 44 45 46 47 48 49 50 1.7681 1.4681 1.3533 1.3448 1.4465 1.3373 1.4476 1.2271 1.3546 1.3577 1.4537 1.343 1.5074 1.407 1.4017 1.0888 1.0873 1.382 1.4039 1.4907 1.4132 1.4692 1.0765 1.3896 1.0849 1.4034 1.4027 1.3899 1.0839 1.4724 1.3514 1.3963 1.084 1.0921 1.0879 1.0894 1.0842 1.3907 1.0825 1.3917 1.0829 1.3917 1.0827 1.3904 1.0826 1.0861 1.0887 1.0913 1.0875 1.0921 1.0919 1.0877 -DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-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 9 25 26 7 7 10 6 9 9 11 2 2 2 8 8 30 2 2 6 8 8 16 7 7 13 10 10 12 8 8 18 12 12 21 11 11 20 11 11 25 14 14 20 6 6 6 36 36 37 16 16 18 15 15 23 15 15 24 21 21 27 22 22 27 3 3 5 4 4 17 1 1 23 3 3 3 45 45 46 4 4 4 48 48 49 2 3 4 6 6 6 7 8 8 8 9 9 9 9 9 9 10 10 10 11 11 11 12 12 12 13 13 13 14 14 14 15 15 15 16 16 16 17 17 17 18 18 18 19 19 19 19 19 19 20 20 20 21 21 21 22 22 22 23 23 23 24 24 24 25 25 25 26 26 26 27 27 27 28 28 28 28 28 28 29 29 29 29 29 29 10 28 29 10 19 19 12 11 14 14 8 30 31 30 31 31 6 13 13 16 17 17 13 15 15 12 32 32 18 33 33 21 22 22 20 34 34 25 26 26 20 35 35 36 37 38 37 38 38 18 39 39 23 40 40 24 41 41 27 42 42 27 43 43 5 17 17 17 44 44 23 24 24 45 46 47 46 47 47 48 49 50 49 50 50 114.6842 116.8601 115.9216 111.3536 121.1475 127.4722 105.4469 123.1632 117.4647 119.3119 110.6246 103.8958 108.5843 110.978 113.3555 108.9489 120.3387 131.8566 107.7695 118.8061 122.5677 118.6205 111.1273 121.2503 127.6176 104.2871 126.7079 129.0017 121.3434 118.7991 119.8568 121.2332 120.4026 118.3455 121.3151 118.8657 119.8189 121.1632 122.5293 116.2739 119.4184 120.1687 120.412 110.6841 108.6203 108.9647 109.5786 109.5985 109.37 119.8031 119.87 120.3263 121.1426 119.8078 119.0494 121.1858 120.2028 118.6022 118.9927 120.4696 120.5377 118.9485 120.4721 120.5774 122.0298 112.4718 125.4976 121.9187 116.8908 121.1905 119.3078 119.3079 121.3842 110.7493 109.9344 105.2262 110.0954 110.3577 110.3834 110.1247 109.9637 105.9423 110.4946 110.1067 110.1134 -DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-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 10 10 10 9 9 28 28 25 25 25 29 29 26 26 26 10 19 7 7 19 19 7 7 7 10 10 10 6 6 11 11 11 14 14 14 9 9 14 14 9 9 11 11 2 2 6 6 8 8 17 17 8 8 16 16 7 7 15 15 7 7 13 13 8 8 33 33 12 12 22 22 12 12 21 21 11 11 34 34 11 11 26 26 11 11 25 25 14 14 35 35 15 15 40 40 15 15 41 41 21 21 42 42 22 22 43 2 2 2 2 2 3 3 3 3 3 4 4 4 4 4 6 6 6 6 6 6 6 6 6 6 6 6 7 7 8 8 8 8 8 8 8 8 8 8 8 8 8 8 10 10 10 10 11 11 11 11 11 11 11 11 12 12 12 12 12 12 12 12 14 14 14 14 15 15 15 15 15 15 15 15 16 16 16 16 17 17 17 17 17 17 17 17 18 18 18 18 21 21 21 21 22 22 22 22 23 23 23 23 24 24 24 9 9 9 10 10 25 25 28 28 28 26 26 29 29 29 7 7 10 10 10 10 19 19 19 19 19 19 12 12 9 9 9 9 9 9 11 11 11 11 14 14 14 14 13 13 13 13 16 16 16 16 17 17 17 17 13 13 13 13 15 15 15 15 18 18 18 18 21 21 21 21 22 22 22 22 20 20 20 20 25 25 25 25 26 26 26 26 20 20 20 20 23 23 23 23 24 24 24 24 27 27 27 27 27 27 27 8 30 31 6 13 5 17 45 46 47 17 44 48 49 50 12 12 2 13 2 13 36 37 38 36 37 38 13 15 2 30 31 2 30 31 16 17 16 17 18 33 18 33 12 32 12 32 20 34 20 34 25 26 25 26 10 32 10 32 21 22 21 22 20 35 20 35 23 40 23 40 24 41 24 41 18 39 18 39 3 5 3 5 4 44 4 44 16 39 16 39 27 42 27 42 27 43 27 43 1 24 1 24 1 23 1 -72.2226 168.6226 52.7673 124.3491 -58.0959 2.7776 -176.9265 -57.474 64.4121 -176.7265 -177.4006 2.5351 -59.5676 62.4266 -178.6091 1.2869 179.5398 176.8766 -1.2113 -1.2393 -179.3273 -76.5568 163.0998 44.0311 101.3929 -18.9506 -138.0193 -0.8766 178.3805 106.5652 -138.6554 -15.6728 -70.59 44.1894 167.172 -177.408 3.4728 -0.3029 -179.4221 177.176 -2.5142 -0.093 -179.7831 -177.1731 3.4492 0.6112 -178.7666 0.4977 -179.7102 179.6522 -0.5557 -118.6178 63.5698 62.2613 -115.551 0.172 179.5301 -179.0262 0.3319 9.2598 -169.1427 -171.6151 9.9825 0.3044 179.9634 179.9913 -0.3497 -178.2153 1.622 0.2192 -179.9435 178.3484 -0.5325 -0.0996 -178.9804 -0.2906 -179.9921 179.9192 0.2177 3.8117 -175.8802 -178.2452 2.0629 -0.7072 179.3598 -178.6196 1.4474 -0.1129 179.5871 -179.7711 -0.071 -0.0933 179.9246 -179.9318 0.0861 -0.1424 -179.6313 178.756 -0.733 179.7839 -0.159 -0.2339 179.8232 -179.6678 0.2751 -0.1794 -DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-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 -0.0608389706 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 0 391.6993999999997 AuxInfo=1/0/N:8;9;10;11;12;13;14;15;16;17;18;19;20;21;22;23;24;25;26;27;28;29;1;6;7;2;3;4;5;30;31;32;33;34;35;36;37;38;39;40;41;42;43;44;45;46;47;48;49;50/rA:50nCl0O0O0O0O0N0N0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:6.1378,-2.3545,1.3842;-1.6244,1.1159,-2.5651;-1.1825,-.9854,1.2294;-1.5836,3.6408,1.3316;.5382,.1885,2.034;-.7682,-1.0346,-2.4223;.2928,-1.7107,-1.9758;-3.0592,1.5438,-.664;-2.0467,2.1124,-1.6184;-.6748,.2775,-2.1396;-2.7542,1.1646,.6481;1.0653,-.8131,-1.3821;.5046,.4753,-1.4605;-4.3563,1.3577,-1.1431;2.3186,-1.197,-.7327;-3.7654,.6274,1.4475;-1.3989,1.3229,1.2293;-5.3477,.8143,-.3453;-1.8344,-1.6921,-3.1396;-5.0493,.4512,.9615;2.7083,-2.5342,-.6405;3.1427,-.2286,-.1601;3.8786,-2.8955,.0053;4.3184,-.5745,.4852;-.5704,.1528,1.5354;-.897,2.5296,1.5462;4.6763,-1.9102,.5666;-.5246,-2.2047,1.5707;-.9233,4.8628,1.6599;-2.5005,2.8996,-2.2186;-1.1799,2.54,-1.1164;.8866,1.4032,-1.069;-4.5902,1.6548,-2.1587;-3.5393,.3498,2.4695;-6.3481,.6827,-.7358;-1.8057,-1.4541,-4.2019;-2.8018,-1.401,-2.7358;-1.7156,-2.7638,-3.0166;-5.8163,.036,1.6021;2.0895,-3.3109,-1.0693;2.876,.8185,-.2148;4.1602,-3.9375,.0724;4.9425,.1933,.9217;.0918,2.6334,1.9859;.4193,-2.3203,1.0418;-.3463,-2.2741,2.6431;-1.1998,-3.0003,1.2712;-.6426,4.8863,2.7136;-.0358,5.0052,1.0427;-1.6292,5.6642,1.4608; 0.000000 9.375040 0.000000 7.448897 4.359898 0.000000 9.775785 4.643377 4.644609 0.000000 6.184244 5.166091 2.233025 4.112586 0.000000 7.995319 2.319010 3.675515 6.051100 4.802288 0.000000 6.772595 3.465901 3.602297 6.564953 4.443694 1.335051 0.000000 10.196840 2.419903 3.674671 3.249149 4.696478 3.871445 4.852679 0.000000 9.795685 1.437889 4.295720 3.354600 4.870699 3.490579 4.496370 1.503095 0.000000 8.109015 1.336240 3.633593 4.917987 4.347237 1.345472 2.217260 3.076685 2.349570 0.000000 9.591355 3.406352 2.725912 2.822910 3.703196 4.267080 4.943369 1.399354 2.556523 3.589142 0.000000 5.979879 3.514910 3.450005 5.849643 3.598802 2.119608 1.324676 4.804340 4.277747 2.188868 4.756228 0.000000 6.916178 2.482480 3.495123 4.709206 3.506479 2.196567 2.255918 3.804770 3.035472 1.375201 3.942212 1.407370 0.000000 11.414604 3.089329 4.603394 4.361697 5.951213 4.498164 5.632292 1.395252 2.475791 3.963972 2.410830 5.844894 4.950483 0.000000 4.517443 4.924840 4.019053 6.549259 3.569934 3.522750 2.431674 6.036303 5.549130 3.621337 5.763449 1.462865 2.572383 7.158838 0.000000 10.342572 4.574215 3.052805 3.722080 4.365477 5.169214 5.801304 2.407668 3.815617 4.747779 1.396486 5.780759 5.168400 2.755655 6.715405 0.000000 8.387391 3.806734 2.318335 2.327511 2.384633 4.392018 4.726253 2.527835 3.025376 3.600920 1.483191 4.177823 3.402466 3.791549 4.900911 2.476206 0.000000 12.039491 4.345336 4.802809 4.996984 6.379400 5.357614 6.391392 2.423090 3.768637 5.034267 2.799252 6.697003 5.967251 1.383751 7.935225 2.398506 4.281534 0.000000 9.190170 2.873853 4.473587 6.963799 5.994387 1.443436 2.424809 4.254405 4.102832 2.494824 4.832566 3.502741 3.603859 4.432545 4.825510 5.490976 5.326111 5.141385 0.000000 11.541359 4.960771 4.133717 4.724597 5.695611 5.655605 6.468434 2.792288 4.293184 5.365045 2.423822 6.669310 6.059125 2.394033 7.737806 1.384138 3.762650 1.388721 5.634641 0.000000 3.986655 5.983231 4.586284 7.774318 4.390416 4.184491 2.880223 7.063562 6.719933 4.647416 6.721655 2.492315 3.819187 8.081301 1.395886 7.500919 5.936492 8.729169 5.252653 8.465207 0.000000 3.984322 5.506043 4.605574 6.287698 3.430986 4.589423 3.689916 6.469798 5.876844 4.329891 6.112926 2.480099 3.024299 7.727703 1.394595 7.144143 4.996340 8.556240 5.982543 8.296380 2.394900 0.000000 2.701482 7.278767 5.546366 8.620742 4.978464 5.563221 4.264549 8.263617 7.926210 5.949959 7.803319 3.765095 4.989491 9.339240 2.421365 8.539382 6.866164 9.950374 6.631494 9.582418 1.384643 2.771492 0.000000 2.699375 6.890421 5.566197 7.301951 4.155803 5.876986 4.853108 7.761168 7.222158 5.705034 7.285091 3.758541 4.408310 9.035174 2.422780 8.229063 6.069642 9.800596 7.228042 9.435727 2.774889 1.385025 2.410469 0.000000 7.163050 4.341956 1.328110 3.637841 1.216068 4.136787 4.067794 3.600856 3.995804 3.678628 2.565210 3.481472 3.199277 4.791575 3.913151 3.231249 1.465968 5.176639 5.182440 4.525437 4.764922 4.099674 5.605965 5.052898 0.000000 8.565602 4.407981 3.540727 1.323684 2.788982 5.335656 5.639220 3.245221 3.392778 4.325083 2.473631 4.857960 3.901931 4.535640 5.424153 3.443157 1.344784 5.131151 6.376395 4.680092 6.589556 5.180602 7.390023 6.161317 2.399126 0.000000 1.732522 7.659232 5.968340 8.401520 4.866431 6.272485 5.071410 8.560513 8.133617 6.383156 8.042038 4.247492 5.215737 9.756564 2.784941 8.858778 6.913758 10.427658 7.494885 10.016039 2.391624 2.389160 1.386427 1.385208 5.720377 7.192638 0.000000 6.666676 5.416704 1.426989 5.945488 2.659325 4.168074 3.672871 5.046714 5.578993 4.466592 4.144307 3.630874 4.174955 5.893847 3.795359 4.305711 3.650335 6.004001 4.915829 5.281922 3.930530 4.511072 4.723919 5.223957 2.358291 4.749033 5.305110 0.000000 10.100737 5.690452 5.869698 1.427248 4.911692 7.174096 7.609774 4.580160 4.424293 5.960082 4.248791 6.739797 5.570094 5.650450 7.277092 5.104959 3.597585 6.323496 8.175095 6.080613 8.555490 6.765156 9.272917 7.643303 4.724804 2.336115 8.855811 7.079343 0.000000 10.733345 2.017240 5.358950 3.740812 5.887938 4.303469 5.395954 2.137070 1.088898 3.196011 3.360353 5.215213 3.934707 2.641633 6.497179 4.494758 3.948100 3.995593 4.730306 4.754405 7.690749 6.772603 8.900606 8.116434 5.036107 4.108690 9.077342 6.657086 4.624271 0.000000 9.151960 2.079465 4.234540 2.714342 4.290326 3.827851 4.579974 2.174550 1.089141 2.533923 2.735601 4.044144 2.686789 3.389372 5.133447 4.112959 2.651800 4.576406 4.736278 4.863488 6.410342 5.221579 7.509422 6.518973 3.619756 2.677667 7.545407 5.492072 3.628955 1.757201 0.000000 6.907486 2.936956 3.907551 4.107473 3.350416 3.242322 3.297168 3.968946 3.067446 2.202551 4.032417 2.245468 1.077108 5.243579 2.987438 5.345565 3.242194 6.303731 4.612158 6.345415 4.359517 2.928966 5.346463 4.254891 3.235576 3.359944 5.293031 4.687878 4.763552 3.877220 2.359036 0.000000 11.988163 3.041669 5.482847 5.016571 6.784478 4.680758 5.933278 2.142558 2.640160 4.150600 3.389525 6.219151 5.275909 1.083704 7.609045 3.839322 4.666191 2.137463 4.445045 3.375653 8.551034 8.206047 9.854341 9.556282 5.662265 5.303860 10.295882 6.733002 6.190218 2.433143 3.674213 5.589795 0.000000 10.106276 5.440643 2.979015 3.993726 4.103820 5.790078 6.220248 3.387431 4.695264 5.427153 2.144257 6.114661 5.640343 3.838487 6.852828 1.082879 2.658218 3.377740 6.207915 2.136495 7.551240 7.204027 8.463372 8.156834 3.118578 3.547567 8.730665 4.052401 5.278776 5.436752 4.818961 5.763526 4.922124 0.000000 13.023745 5.084097 5.773040 5.977073 7.438953 6.076907 7.167183 3.400608 4.617918 5.858466 3.881206 7.590381 6.894059 2.142195 8.868248 3.382407 5.363483 1.081975 5.638456 2.149743 9.611258 9.551871 10.859966 10.809532 6.230725 6.191382 11.399946 6.897192 7.255422 4.681654 5.504998 7.278137 2.461680 4.274878 0.000000 9.752641 3.052376 5.487039 7.525105 6.861428 2.102195 3.070010 4.803721 4.410481 2.920726 5.592852 4.074831 4.071260 4.875282 5.395473 6.331619 6.113556 5.706609 1.089015 6.388492 5.850300 6.505742 7.217283 7.761874 6.084860 7.052416 8.060001 5.960510 8.662724 4.834383 5.085732 5.022719 4.646894 7.125114 6.100333 0.000000 9.889431 2.783971 4.303254 6.591498 6.036062 2.090011 3.201630 3.609801 3.763344 2.774414 4.246824 4.139149 4.009924 3.544509 5.502093 4.747964 5.011012 4.135647 1.088029 4.706612 6.002984 6.583819 7.373970 7.858466 5.063346 6.116681 8.190767 4.937388 7.879501 4.342095 4.559027 4.924067 3.587365 5.541146 4.573635 1.773334 0.000000 9.011644 3.906891 4.634127 7.742222 6.269290 2.059284 2.495130 5.088690 5.083416 3.331928 5.471786 3.769520 4.223978 5.241132 4.893390 5.969052 5.901547 5.755890 1.085218 6.105318 5.026802 6.179760 6.359547 7.311876 5.526172 7.036220 7.377289 4.772178 8.981156 5.772906 5.659262 5.284669 5.340670 6.566329 6.208096 1.768737 1.765168 0.000000 12.192720 6.008649 4.759586 5.566234 6.370972 6.544098 7.292052 3.874313 5.375198 6.363458 3.400039 7.548677 7.037479 3.378534 8.552669 2.140064 4.616110 2.148842 6.428549 1.082091 9.181691 9.134494 10.253500 10.214267 5.247630 5.515425 10.721710 5.746676 6.873267 5.813110 5.929277 7.343845 4.274015 2.456746 2.483339 7.210587 5.474448 6.781347 0.000000 4.829445 5.968763 4.625830 8.220795 4.927796 3.895983 2.571041 7.088047 6.842630 4.654399 6.814754 2.717639 4.123152 7.959183 2.152740 7.491579 6.238897 8.535377 4.722614 8.321062 1.081667 3.381809 2.128007 3.856443 5.084962 7.061970 3.366028 3.876374 9.128786 7.807579 6.702545 4.865123 8.394183 7.589881 9.340938 5.332249 5.509050 4.309224 8.991061 0.000000 4.823227 5.085828 4.670238 5.499522 3.304410 4.646229 4.021297 5.996152 5.279950 4.075010 5.706443 2.702522 2.700610 7.311522 2.154310 6.848896 4.540291 8.224752 6.086480 8.020568 3.383766 1.081854 3.853161 2.123881 3.922204 4.501647 3.361178 4.887879 5.857136 6.103491 4.497474 2.242621 7.760298 6.969957 9.239841 6.555905 6.596941 6.462569 8.914532 4.289564 0.000000 2.852644 8.121249 6.212819 9.592058 5.830208 6.240236 4.910274 9.094305 8.831007 6.785065 8.612362 4.632083 5.931855 10.101855 3.398549 9.249036 7.740383 10.637426 7.162001 10.240484 2.141407 3.852992 1.081513 3.391888 6.422616 8.340954 2.149536 5.214847 10.286311 9.816282 8.478732 6.367304 10.621739 9.132864 11.507627 7.747847 7.924036 6.741257 10.847111 2.446280 4.934664 0.000000 2.852005 7.492122 6.244981 7.392068 4.542571 6.730692 5.800009 8.268256 7.680112 6.397828 7.762554 4.620958 5.044736 9.596135 3.399216 8.734502 6.448497 10.386474 8.122470 9.995225 3.856363 2.141813 3.392948 1.081486 5.547056 6.320458 2.149824 6.005034 7.533716 8.519523 6.866199 4.677256 10.124042 8.623225 11.422119 8.631487 8.711691 8.281518 10.781397 4.937928 2.439800 4.289151 0.000000 7.861005 5.094993 3.910404 2.061487 2.485727 5.798761 5.882737 4.258766 4.223231 4.812175 3.470797 4.916264 4.087207 5.585944 5.198205 4.380769 2.124089 6.191236 6.977852 5.678219 6.359876 4.701517 6.987909 5.514243 2.606602 1.087102 6.608842 4.894859 2.471234 4.946477 3.354141 3.387783 6.328952 4.316581 7.258447 7.654834 6.851538 7.577577 6.465168 6.975615 3.986059 7.961801 5.533158 0.000000 5.728843 5.384536 2.093606 6.295224 2.700536 3.881150 3.081155 5.471776 5.727712 4.250508 4.729791 2.926434 3.752899 6.411499 2.831569 5.134703 4.075960 6.708792 4.791428 6.131375 2.848696 3.638208 3.656741 4.308115 2.709149 5.050596 4.303030 1.088124 7.333576 6.811897 5.553186 4.305541 7.151161 4.983780 7.614210 5.761697 5.048862 4.606997 6.689459 2.868338 4.179206 4.189216 5.176050 5.053442 0.000000 6.605718 6.344320 2.087709 6.183546 2.686600 5.231925 4.696863 5.733432 6.347693 5.430730 4.647881 4.508822 5.012299 6.603375 4.433739 4.640898 4.005562 6.594093 5.999413 5.689742 4.492245 4.920913 5.019381 5.413331 2.677126 4.957987 5.447127 1.089345 7.227339 7.419089 6.164778 5.368584 7.516870 4.136384 7.495421 7.046737 5.976997 5.843489 6.028315 4.559621 5.302308 5.448357 6.084630 4.970601 1.775565 0.000000 7.366848 5.642760 2.015455 6.652434 3.710959 4.206296 3.799282 5.277413 5.933570 4.759594 4.489020 4.117600 4.737892 5.897833 4.432478 4.446753 4.327951 5.862528 4.644342 5.179553 4.375495 5.346831 5.234861 6.078832 3.226183 5.545001 6.017778 1.085589 7.877548 6.977057 6.032957 5.405576 6.702905 4.258178 6.640651 5.719572 4.602257 4.325186 5.535405 4.048943 5.779551 5.571848 6.931730 5.823840 1.771054 1.771387 0.000000 10.008441 6.560796 6.080306 2.084862 4.891266 7.838988 8.147740 5.331037 5.332231 6.692892 4.751409 7.223215 6.180254 6.412215 7.592866 5.430705 3.933546 6.933721 8.885687 6.493018 8.805767 6.981972 9.398451 7.706929 4.878369 2.642230 8.893375 7.183482 1.090716 5.632471 4.523593 5.364493 7.054459 5.387929 7.881752 9.453965 8.595839 9.618140 7.178259 9.432257 6.123929 10.387560 7.511809 2.478764 7.473730 7.166790 8.036703 0.000000 9.612182 5.537718 6.102149 2.083445 4.950957 7.001536 7.370392 4.902518 4.415197 5.734630 4.721781 6.398826 5.203621 6.062061 6.867478 5.765268 3.930921 6.907028 8.098172 6.773556 8.197895 6.240327 8.877982 7.099477 4.906486 2.669025 8.381722 7.245717 1.090389 4.598261 3.471036 4.276005 6.497448 5.998528 7.854481 8.506528 7.935221 8.924997 7.643256 8.839348 5.252451 9.925693 6.924708 2.555612 7.339563 7.459547 8.092875 1.781611 0.000000 11.163852 6.074103 6.668552 2.028051 5.916848 7.790595 8.360254 4.851500 4.719254 6.549026 4.708729 7.569567 6.325463 5.723903 8.214185 5.471055 4.353595 6.372688 8.678769 6.254755 9.510169 7.753925 10.282133 8.674522 5.612645 3.220108 9.896022 7.946858 1.086345 4.683973 4.074867 5.557430 6.159823 5.736591 7.204769 9.097673 8.300834 9.543814 7.016248 10.039028 6.825362 11.297698 8.567863 3.524675 8.253718 8.127712 8.677203 1.774326 1.774295 0.000000 C22H21ClN2O4 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 0 391.6993999999997 AuxInfo=1/0/N:8;9;10;11;12;13;14;15;16;17;18;19;20;21;22;23;24;25;26;27;28;29;1;6;7;2;3;4;5;30;31;32;33;34;35;36;37;38;39;40;41;42;43;44;45;46;47;48;49;50/rA:50nCl0O0O0O0O0N0N0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:6.6945,.9899,.3431;-2.0522,-1.512,-1.9213;-.5235,-.022,1.8802;-2.8068,2.9467,-.8668;.6016,1.7385,1.0921;-.3709,-2.5911,-.7438;.9025,-2.4471,-.3697;-3.4046,-.2116,-.3928;-2.787,-.2864,-1.7612;-.8137,-1.5152,-1.4196;-2.8827,.5654,.6474;1.2687,-1.2491,-.8002;.2185,-.609,-1.4844;-4.5352,-.9946,-.1574;2.6083,-.7224,-.5392;-3.5225,.5488,1.8885;-1.6809,1.4184,.48;-5.1546,-1.0116,1.0798;-1.1117,-3.7948,-.4506;-4.6457,-.2296,2.1084;3.5246,-1.4258,.2444;2.9905,.5188,-1.0474;4.7793,-.9074,.517;4.2436,1.048,-.7867;-.422,1.0847,1.1531;-1.7072,2.5504,-.2454;5.1298,.3301,-.0005;.6036,-.4038,2.6677;-2.6951,4.1355,-1.6486;-3.5663,-.3214,-2.5209;-2.1457,.5644,-1.9871;.2047,.3674,-1.9391;-4.9387,-1.5933,-.9656;-3.1337,1.1627,2.6914;-6.033,-1.623,1.2393;-1.2556,-4.4014,-1.3436;-2.0832,-3.5508,-.0259;-.5495,-4.3702,.2778;-5.1255,-.2224,3.0783;3.2584,-2.389,.6583;2.309,1.0916,-1.6621;5.4731,-1.4643,1.132;4.5188,2.0124,-1.1916;-.8245,3.1764,-.3493;1.4723,-.6304,2.0528;.8656,.3697,3.3887;.3027,-1.2995,3.2022;-2.38,4.9804,-1.0351;-1.9908,3.9982,-2.4696;-3.6821,4.3379,-2.0548; 0.2747347 0.0958729 0.0860444 -101.55814 -19.17767 -19.17300 -19.16622 -19.11145 -14.39094 -14.32716 -10.30762 -10.26045 -10.24789 -10.23525 -10.22813 -10.21834 -10.21373 -10.19949 -10.19940 -10.19246 -10.19095 -10.18564 -10.18380 -10.18370 -10.18252 -10.18021 -10.17962 -10.17505 -10.17492 -10.17433 -10.17379 -10.16007 -9.47343 -7.23770 -7.22839 -7.22797 -1.12079 -1.10136 -1.09879 -1.05457 -1.02696 -0.90313 -0.87655 -0.86621 -0.83768 -0.82036 -0.79938 -0.77060 -0.76155 -0.75508 -0.75200 -0.74320 -0.70643 -0.69905 -0.68869 -0.63438 -0.62606 -0.62289 -0.61250 -0.59916 -0.58929 -0.56646 -0.56190 -0.55058 -0.54332 -0.52187 -0.50737 -0.50408 -0.50160 -0.49134 -0.48944 -0.48491 -0.47977 -0.47418 -0.46944 -0.46618 -0.45808 -0.44926 -0.44505 -0.43555 -0.43212 -0.43022 -0.42292 -0.41976 -0.41082 -0.40711 -0.40599 -0.39962 -0.39582 -0.37795 -0.37583 -0.37285 -0.36701 -0.36276 -0.36072 -0.35918 -0.35148 -0.34825 -0.34267 -0.32745 -0.32091 -0.31452 -0.29931 -0.29863 -0.28232 -0.26968 -0.26453 -0.26181 -0.24364 -0.23423 -0.22188 -0.04584 -0.03941 -0.02625 -0.02304 -0.01885 0.00295 0.00986 0.01370 0.01561 0.01843 0.02494 0.02748 0.02964 0.03437 0.03617 0.04023 0.04259 0.04577 0.04692 0.05146 0.05435 0.05808 0.06032 0.06249 0.06695 0.07029 0.07198 0.07498 0.07655 0.07971 0.08118 0.08802 0.09035 0.09373 0.09501 0.09678 0.09877 0.10086 0.10463 0.10872 0.11049 0.11509 0.11606 0.12185 0.12192 0.12710 0.12827 0.13378 0.13488 0.13783 0.13982 0.14288 0.14391 0.14676 0.14832 0.15297 0.15650 0.15832 0.16207 0.16441 0.16535 0.16661 0.16885 0.17053 0.17305 0.17656 0.18026 0.18385 0.18651 0.18900 0.19024 0.19103 0.19460 0.19661 0.19710 0.20071 0.20237 0.20328 0.20743 0.20885 0.21318 0.21598 0.21661 0.21925 0.21958 0.22148 0.22470 0.22608 0.23030 0.23111 0.23138 0.23318 0.23658 0.23804 0.24054 0.24214 0.24732 0.24957 0.25168 0.25271 0.25382 0.26090 0.26307 0.26490 0.26662 0.26835 0.27073 0.27224 0.27297 0.27640 0.27937 0.28226 0.28339 0.28765 0.28993 0.29381 0.29578 0.29785 0.30393 0.30654 0.30835 0.31123 0.31599 0.31713 0.31928 0.32280 0.32596 0.32894 0.33184 0.33562 0.34103 0.34346 0.34758 0.34910 0.35285 0.35512 0.36270 0.36469 0.36688 0.37190 0.37462 0.37768 0.38255 0.38418 0.38852 0.39067 0.39478 0.39693 0.40630 0.41122 0.41263 0.41527 0.41748 0.42253 0.42916 0.43755 0.44176 0.44759 0.45418 0.45867 0.46314 0.46439 0.46789 0.47320 0.48383 0.48650 0.48920 0.49629 0.50038 0.50360 0.50853 0.51757 0.52386 0.52648 0.53339 0.53536 0.54094 0.54507 0.55117 0.55679 0.55929 0.56576 0.56767 0.57322 0.57724 0.58107 0.58211 0.58564 0.59392 0.59865 0.60031 0.60446 0.61367 0.61848 0.62366 0.62635 0.63633 0.63849 0.64395 0.64741 0.65242 0.66318 0.66555 0.66588 0.67156 0.67504 0.67579 0.67919 0.68694 0.68950 0.69239 0.69539 0.70448 0.70554 0.70981 0.71578 0.71696 0.72031 0.72382 0.72606 0.73124 0.73616 0.74125 0.74277 0.74996 0.75255 0.75650 0.75837 0.76506 0.77085 0.77452 0.77686 0.78105 0.78899 0.79027 0.79718 0.80077 0.80544 0.81432 0.81956 0.82080 0.82626 0.83811 0.84196 0.84866 0.85456 0.85932 0.86181 0.86398 0.86714 0.86813 0.87312 0.87840 0.88614 0.89069 0.89971 0.91216 0.91411 0.91643 0.92305 0.93424 0.93496 0.93871 0.94254 0.94965 0.95411 0.95786 0.96441 0.97259 0.97918 0.98581 0.99361 0.99984 1.00653 1.00876 1.02243 1.02634 1.02795 1.03610 1.04862 1.05818 1.06181 1.07114 1.07585 1.08000 1.08216 1.08254 1.08695 1.09178 1.09812 1.10065 1.10711 1.11522 1.12070 1.13164 1.13379 1.14377 1.14942 1.15808 1.16279 1.17600 1.18038 1.18857 1.19894 1.20147 1.20792 1.23047 1.24087 1.24918 1.25709 1.26691 1.27170 1.28594 1.29900 1.30751 1.31281 1.31439 1.31716 1.32716 1.33538 1.34783 1.35886 1.36919 1.37548 1.38222 1.39593 1.41495 1.42451 1.42863 1.43680 1.45184 1.45729 1.46742 1.48142 1.49014 1.49212 1.50557 1.51009 1.51676 1.51916 1.52295 1.53081 1.54022 1.54082 1.54672 1.55353 1.55687 1.56611 1.57154 1.57601 1.57899 1.58526 1.59030 1.59415 1.60057 1.61382 1.61560 1.62040 1.62588 1.63347 1.64464 1.64655 1.64961 1.65542 1.66057 1.67203 1.67936 1.68417 1.68782 1.69336 1.69959 1.71147 1.71328 1.71996 1.72411 1.72819 1.73572 1.74413 1.74956 1.75490 1.75903 1.76343 1.76981 1.77084 1.78397 1.79141 1.79297 1.79703 1.81235 1.82712 1.83192 1.84514 1.85252 1.85789 1.86493 1.87810 1.88670 1.88760 1.89236 1.90285 1.91192 1.91931 1.92160 1.93132 1.93277 1.93809 1.94632 1.95113 1.96002 1.96819 1.97137 1.97472 1.97759 1.98826 1.99126 1.99231 2.00137 2.00920 2.01518 2.03051 2.03461 2.04231 2.05845 2.07677 2.08222 2.08633 2.09209 2.09542 2.10710 2.11670 2.13174 2.13975 2.14994 2.15578 2.16290 2.16980 2.17197 2.18063 2.19300 2.20911 2.22246 2.23460 2.23906 2.24316 2.24438 2.26329 2.27532 2.29284 2.29874 2.31069 2.34528 2.35913 2.36599 2.38519 2.40085 2.40733 2.41457 2.42435 2.43138 2.43406 2.43933 2.44076 2.45897 2.47393 2.47896 2.48917 2.49733 2.50420 2.51327 2.52466 2.54905 2.54992 2.55380 2.56038 2.56850 2.58139 2.59034 2.60752 2.61984 2.62691 2.63335 2.63939 2.64216 2.64898 2.65996 2.67211 2.67748 2.68819 2.69586 2.70307 2.71049 2.71456 2.72020 2.73109 2.74303 2.74676 2.75370 2.76550 2.76942 2.77642 2.77907 2.78616 2.79007 2.79503 2.80292 2.81844 2.82172 2.83418 2.84045 2.85076 2.85298 2.86251 2.86663 2.87500 2.88268 2.89241 2.89480 2.90490 2.90927 2.91401 2.93296 2.94274 2.94528 2.94986 2.95246 2.95864 2.97353 2.98961 2.99427 3.00802 3.02144 3.03857 3.04193 3.05915 3.07486 3.08308 3.09261 3.10276 3.10571 3.12435 3.13598 3.15565 3.18088 3.18835 3.20202 3.20516 3.21110 3.22715 3.23259 3.24414 3.26028 3.26920 3.28570 3.29081 3.31684 3.33665 3.36683 3.38100 3.38800 3.39422 3.40154 3.42073 3.43874 3.46307 3.48659 3.49786 3.51677 3.52805 3.57456 3.60389 3.61854 3.63177 3.64906 3.68970 3.70003 3.75749 3.77199 3.77448 3.79901 3.82181 3.82417 3.83046 3.84885 3.87089 3.87807 3.89973 3.92095 3.93432 4.00651 4.01312 4.04110 4.04926 4.07559 4.09104 4.09392 4.10465 4.13623 4.16608 4.17345 4.17889 4.20683 4.25588 4.30805 4.34441 4.37861 4.42764 4.51539 4.72856 4.85608 4.87019 5.03815 5.04248 5.14682 5.16055 5.17165 5.26769 5.42492 5.43730 5.46342 5.50684 5.68608 5.83111 5.85838 5.94299 9.79091 23.60108 23.65143 23.77486 23.82226 23.90376 23.90496 23.93476 23.95873 23.96727 23.97576 23.97950 24.00002 24.00538 24.01987 24.07266 24.07931 24.12067 24.12540 24.19384 24.20066 24.20796 24.25023 25.84041 26.13379 26.62767 35.57806 35.66738 49.92966 49.95707 49.99327 50.06992 215.78335 1-A. -7.9812 2.1010 -1.9033 8.4697 -186.4195 -152.6843 -163.0783 -5.2419 4.9348 -18.3052 -19.0254 14.7097 4.3157 -5.2419 4.9348 -18.3052 -201.3961 68.1414 26.8736 -69.1709 -38.8123 5.2457 -32.0582 27.0997 -41.8147 -2.8048 -12613.7306 -2780.6782 -1720.4847 24.6895 60.8232 -126.8731 -181.2722 45.6504 -65.3662 -2406.4175 -2168.7369 -801.1034 -154.6590 111.8666 -56.3155 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 391.6993999999997 AuxInfo=1/0/N:8;9;10;11;12;13;14;15;16;17;18;19;20;21;22;23;24;25;26;27;28;29;1;6;7;2;3;4;5;30;31;32;33;34;35;36;37;38;39;40;41;42;43;44;45;46;47;48;49;50/rA:50nCl0O0O0O0O0N0N0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:5.9703,-2.8768,1.3412;-1.4956,1.3688,-2.6122;-.9131,-.8422,1.405;-1.744,3.7726,1.2277;.5809,.551,2.3492;-.8832,-.8937,-2.4206;.1239,-1.6781,-1.9673;-2.9832,1.5387,-.677;-2.0025,2.2628,-1.5637;-.6353,.4188,-2.1776;-2.6797,1.1328,.6356;1.0065,-.837,-1.404;.5733,.5037,-1.5128;-4.2313,1.2123,-1.2249;2.2312,-1.3346,-.7628;-3.6435,.4154,1.3617;-1.3807,1.4511,1.2939;-5.174,.4945,-.499;-2.0302,-1.4648,-3.1073;-4.8762,.0947,.8053;2.6203,-2.6778,-.8809;3.0245,-.4772,.0138;3.7602,-3.1551,-.243;4.1693,-.9394,.6563;-.4696,.383,1.7377;-.9903,2.7179,1.5566;4.5227,-2.2775,.5219;-.1239,-1.9675,1.8557;-1.1747,5.0718,1.5166;-2.4933,3.0622,-2.1165;-1.1555,2.6766,-1.0219;1.0508,1.4008,-1.1578;-4.4552,1.5264,-2.239;-3.4126,.1063,2.3746;-6.1337,.2529,-.9413;-1.7713,-1.7321,-4.134;-2.8327,-.7302,-3.1132;-2.3581,-2.3538,-2.5699;-5.6034,-.4602,1.3873;2.0259,-3.3599,-1.4752;2.7433,.561,.1389;4.0496,-4.1939,-.3405;4.7699,-.2689,1.2577;-.0433,2.9245,2.0467;.8984,-1.8933,1.4889;-.1287,-2.0125,2.946;-.6128,-2.8447,1.4382;-.9739,5.1647,2.5861;-.2572,5.213,.9417;-1.9229,5.8003,1.212; 0.000000 9.454823 0.000000 7.178058 4.622292 0.000000 10.185114 4.537013 4.692295 0.000000 6.466155 5.440170 2.250454 4.128071 0.000000 8.065616 2.351798 3.826020 5.985423 5.194354 0.000000 6.823746 3.510305 3.625843 6.588394 4.879540 1.354597 0.000000 10.185001 2.446794 3.780018 3.186493 4.778688 3.656035 4.654749 0.000000 9.920636 1.468105 4.431811 3.184107 4.991471 3.456953 4.496092 1.507442 0.000000 8.177827 1.353314 3.808192 4.906429 4.689160 1.357693 2.239999 3.003088 2.376181 0.000000 9.560171 3.464953 2.759226 2.862665 3.729139 4.083386 4.747241 1.407029 2.563710 3.550124 0.000000 6.027954 3.547652 3.402219 5.978242 4.024172 2.146528 1.342975 4.699997 4.322991 2.207049 4.650579 0.000000 6.978571 2.497477 3.540363 4.854415 3.862214 2.213269 2.273520 3.797144 3.119548 1.382011 3.948827 1.413207 0.000000 11.286208 3.071353 4.706180 4.330990 6.030681 4.132134 5.279527 1.401656 2.487163 3.803750 2.423917 5.627272 4.865113 0.000000 4.559175 4.961609 3.850756 6.771073 3.995419 3.555576 2.451419 5.954237 5.613087 3.645945 5.671011 1.469229 2.586603 6.961628 0.000000 10.161926 4.616773 3.006457 3.859682 4.340478 4.861951 5.445988 2.419541 3.829383 4.645026 1.403876 5.553398 5.104143 2.769702 6.487571 0.000000 8.530509 3.908590 2.343066 2.350684 2.402432 4.420687 4.763483 2.541623 3.035020 3.697594 1.490661 4.267599 3.548622 3.811479 5.003562 2.489532 0.000000 11.787618 4.331439 4.854647 5.049060 6.421439 4.902108 5.911379 2.433527 3.784114 4.839814 2.813611 6.386761 5.836097 1.389630 7.632345 2.410557 4.303357 0.000000 9.262378 2.925828 4.690071 6.804743 6.376121 1.453738 2.446513 3.979396 4.034628 2.521552 4.602005 3.537930 3.632653 3.943968 4.865535 5.109788 5.319258 4.530528 0.000000 11.258934 4.973076 4.116285 4.849371 5.689662 5.227531 5.985943 2.804643 4.309458 5.195024 2.435383 6.352563 5.936176 2.405599 7.417352 1.389924 3.781160 1.396313 5.083327 0.000000 4.024920 6.025995 4.591223 8.068447 5.001740 4.222310 2.900270 7.015621 6.800390 4.676442 6.701471 2.503255 3.835534 7.886399 1.403358 7.337050 6.146923 8.423800 5.296751 8.168669 0.000000 4.024586 5.543934 4.192064 6.501768 3.533037 4.622807 3.712227 6.374468 5.938628 4.358855 5.959622 2.492443 3.049795 7.552245 1.402735 6.861265 4.976237 8.271880 6.022254 7.960874 2.409637 0.000000 2.733471 7.328172 5.468523 8.969473 5.528327 5.605068 4.286881 8.227576 8.019120 5.986313 7.786512 3.782101 5.015543 9.159819 2.433571 8.374866 7.071587 9.654277 6.677601 9.286931 1.390731 2.788958 0.000000 2.732423 6.935524 5.138168 7.582621 4.238377 5.915829 4.877917 7.686133 7.298864 5.741059 7.155654 3.776065 4.440549 8.873512 2.434387 7.960775 6.076472 9.523074 7.271513 9.105668 2.790030 1.391701 2.426007 0.000000 7.228799 4.576661 1.344801 3.656926 1.227066 4.369470 4.281075 3.672113 4.096667 3.918963 2.580968 3.679327 3.415794 4.859580 4.061645 3.196329 1.472354 5.210292 5.415186 4.513421 5.076683 3.990069 5.859380 4.943447 0.000000 8.932952 4.410646 3.564158 1.337296 2.791498 5.373378 5.743201 3.217256 3.311785 4.399549 2.492973 5.038853 4.094938 4.528534 5.672823 3.518411 1.351415 5.164541 6.350466 4.748250 6.934799 5.358023 7.765213 6.388171 2.399111 0.000000 1.768079 7.703050 5.690973 8.739082 5.184253 6.308439 5.089649 8.505174 8.218341 6.415740 7.969731 4.259982 5.241393 9.584460 2.791104 8.639655 7.024772 10.136662 7.534730 9.697746 2.397327 2.396522 1.391692 1.390420 5.786086 7.511165 0.000000 6.183097 5.742342 1.446497 5.997320 2.661514 4.473883 3.841938 5.184929 5.754738 4.714179 4.199117 3.630575 4.235520 6.039228 3.578195 4.279042 3.685385 6.091773 5.340228 5.285871 3.940010 3.940326 4.571716 4.574651 2.378787 4.774288 4.844131 0.000000 10.689351 5.555360 5.920826 1.447602 4.920651 7.153620 7.706199 4.534905 4.250234 5.965625 4.307832 6.942785 5.753277 5.635145 7.605157 5.272724 3.633441 6.403869 8.052331 6.243323 8.955796 7.119278 9.753564 8.089111 4.746665 2.361442 9.352078 7.125436 0.000000 10.902294 2.026973 5.490181 3.500011 5.974861 4.281840 5.416846 2.152465 1.088811 3.231619 3.366208 5.287743 4.039115 2.690253 6.594345 4.519555 3.932452 4.049166 4.657205 4.798035 7.786063 6.892937 9.015055 8.251768 5.111574 3.983589 9.203097 6.833032 4.356265 0.000000 9.338181 2.086889 4.281412 2.570601 4.347081 3.844234 4.636207 2.180423 1.087328 2.589230 2.730187 4.143206 2.819809 3.412646 5.256138 4.121295 2.629698 4.602614 4.718660 4.883529 6.553333 5.337817 7.666814 6.651731 3.653257 2.584052 7.692061 5.559931 3.490151 1.771065 0.000000 6.981741 2.932595 3.931423 4.373418 3.638951 3.255768 3.315736 4.064876 3.198476 2.201631 4.147888 2.251819 1.076455 5.285903 3.005340 5.418134 3.453341 6.324903 4.637354 6.378841 4.378931 2.965732 5.379080 4.300324 3.425145 3.642677 5.329649 4.669816 5.057849 4.029886 2.552244 0.000000 11.869998 2.987224 5.606740 4.941093 6.882237 4.318444 5.595598 2.146376 2.648417 3.977710 3.401563 6.009402 5.182589 1.084946 7.421075 3.854633 4.683952 2.146933 3.947350 3.390415 8.341574 8.064506 9.664001 9.425759 5.745137 5.275553 10.133799 6.908979 6.118534 2.494506 3.700346 5.612555 0.000000 9.899754 5.489741 2.843819 4.188234 4.018289 5.512850 5.877370 3.398318 4.706336 5.341711 2.148261 5.890321 5.581863 3.853636 6.616038 1.083937 2.665533 3.392796 5.867796 2.145960 7.398978 6.881171 8.302830 7.844202 3.023833 3.654735 8.490172 3.922439 5.513683 5.454588 4.820510 5.837472 4.938563 0.000000 12.708769 5.054683 5.827515 6.030202 7.483535 5.574118 6.628701 3.413117 4.636216 5.638169 3.897606 7.237729 6.736039 2.149466 8.516121 3.395806 5.387330 1.084011 4.947801 2.158055 9.231761 9.236869 10.487693 10.494143 6.267140 6.226612 11.050018 6.990833 7.338653 4.746131 5.537519 7.278910 2.474530 4.292078 0.000000 9.550968 3.465214 5.675322 7.684414 7.264796 2.104152 2.879121 4.910978 4.755914 3.121614 5.637521 3.996274 4.167387 4.814943 5.248150 6.190294 6.304511 5.454321 1.092059 6.113462 5.546462 6.463700 6.911038 7.672422 6.375359 7.266039 7.847877 6.216563 8.864464 5.251335 5.431534 5.161114 4.627302 6.959595 5.758833 0.000000 10.096647 2.538699 4.910332 6.348525 6.567462 2.075321 3.309542 3.332503 3.471032 2.650330 4.188938 4.203814 3.960428 3.048734 5.615396 4.689793 5.127201 3.716932 1.087942 4.495631 6.205739 6.644511 7.588427 7.954918 5.509494 6.090195 8.349210 5.792912 7.605755 3.935825 4.335123 4.842149 2.913561 5.581385 4.071865 1.781144 0.000000 9.215887 3.821518 4.491439 7.234075 6.424430 2.080723 2.642002 4.373282 4.738346 3.287792 4.747085 3.870443 4.228054 4.246765 5.036472 4.977774 5.510094 4.508983 1.089368 4.871138 5.267067 6.258604 6.594680 7.417268 5.441713 6.679911 7.543879 4.972564 8.558053 5.436625 5.398916 5.264226 4.423046 5.622494 4.868529 1.782527 1.776655 0.000000 11.823418 6.017979 4.705916 5.730372 6.339874 6.080164 6.748309 3.888799 5.393541 6.177697 3.413322 7.185008 6.891442 3.391752 8.171237 2.146715 4.636065 2.157301 5.829157 1.084194 8.814305 8.736633 9.879143 9.811763 5.214421 5.604423 10.324208 5.702334 7.087542 5.861454 5.952147 7.363439 4.291313 2.468891 2.492491 6.840206 5.291913 5.456902 0.000000 4.870702 6.004552 4.824094 8.508220 5.657642 3.929222 2.586181 7.051546 6.917401 4.674850 6.839739 2.721981 4.127861 7.753729 2.156728 7.378557 6.512900 8.224853 4.765249 8.048214 1.082487 3.394747 2.137263 3.872481 5.528058 7.431642 3.375486 4.201743 9.502048 7.878960 6.838629 4.869941 8.152545 7.510823 8.939630 4.913059 5.762333 4.629265 8.649213 0.000000 4.865918 5.117516 4.115963 5.624567 3.092159 4.671038 4.038637 5.866369 5.321428 4.098923 5.475664 2.711356 2.727639 7.136499 2.160668 6.504510 4.374222 7.943295 6.117852 7.662828 3.397715 1.082850 3.871588 2.133607 3.593141 4.539016 3.371853 4.190682 6.131644 6.226170 4.585209 2.291596 7.642313 6.565105 8.947857 6.625507 6.582928 6.469767 8.501159 4.300362 0.000000 2.872658 8.176381 6.237722 9.974440 6.463792 6.288901 4.938298 9.079417 8.933790 6.826432 8.637690 4.654030 5.960401 9.928877 3.414733 9.128395 8.001563 10.348018 7.215779 9.968703 2.152571 3.871684 1.082732 3.405825 6.759461 8.762043 2.154152 5.215183 10.797965 9.930487 8.646478 6.400140 10.423889 9.030395 11.128139 7.371162 8.188458 7.029553 10.493201 2.465416 4.954280 0.000000 2.872087 7.544167 5.713752 7.665850 4.405834 6.773335 5.828544 8.192744 7.761146 6.441317 7.605840 4.644451 5.087622 9.454086 3.415158 8.441907 6.386694 10.126763 8.168575 9.663596 3.872619 2.153363 3.406170 1.082603 5.301691 6.495483 2.153315 5.214663 7.995575 8.673880 6.998807 4.738638 10.027611 8.266922 11.135454 8.602275 8.781650 8.355011 10.375939 4.955058 2.459190 4.298693 0.000000 8.385508 5.121892 3.918697 2.069276 2.472786 5.936372 6.109338 4.240436 4.160647 4.947046 3.485963 5.211379 4.348554 5.583377 5.586312 4.441453 2.127509 6.221702 7.055299 5.736349 6.859389 5.011615 7.528041 5.883001 2.595449 1.086123 7.087587 4.896470 2.484304 4.832514 3.273237 3.713162 6.307625 4.404751 7.291013 7.929093 6.910963 7.384555 6.542591 7.495278 4.122090 8.551193 5.829936 0.000000 5.168436 5.761176 2.096061 6.257183 2.610679 4.410999 3.548441 5.615721 5.916631 4.597941 4.763207 3.081528 3.855006 6.582074 2.675499 5.096644 4.051808 6.821140 5.466773 6.145399 3.032462 2.949779 3.575039 3.507374 2.667393 4.983503 3.770616 1.088703 7.267141 7.004230 5.604156 4.228405 7.365637 4.834032 7.743621 6.226581 6.037620 5.224051 6.658713 3.493926 3.354007 4.309215 4.204814 4.940585 0.000000 6.365551 6.647933 2.087956 6.247300 2.726118 5.533593 4.931160 5.821083 6.490515 5.693784 4.662431 4.646787 5.167670 6.680369 4.447907 4.556169 4.036512 6.603637 6.368535 5.617961 4.758623 4.571409 5.157360 4.986740 2.704596 5.004999 5.251833 1.091259 7.302405 7.548025 6.227870 5.466600 7.624070 3.949630 7.503581 7.273457 6.757893 5.959155 5.900129 5.099436 4.769850 5.746131 5.466943 5.019027 1.786761 0.000000 6.583918 5.910887 2.025159 6.716523 3.712922 4.332360 3.674440 5.413557 6.085143 4.870837 4.553698 3.838072 4.618122 6.053498 3.900415 4.451858 4.366216 5.975553 4.957322 5.216973 3.982346 4.567731 4.695293 5.206766 3.244731 5.576650 5.247350 1.087497 7.936795 7.145847 6.068889 5.247053 6.884183 4.174170 6.762967 5.799119 5.487611 4.399078 5.531228 3.964344 4.954842 5.169397 5.970038 5.829084 1.786526 1.788905 0.000000 10.697543 6.457745 6.122183 2.091907 4.874377 7.859980 8.292308 5.275648 5.167198 6.732803 4.792766 7.474193 6.396798 6.384029 7.983040 5.584089 3.953017 6.997833 8.802308 6.641095 9.297453 7.378051 9.981726 8.212022 4.882468 2.654589 9.479398 7.219766 1.092089 5.370605 4.386409 5.681826 6.974092 5.619540 7.949363 9.662349 8.407519 9.221073 7.382986 9.907660 6.403221 11.017455 8.017524 2.485021 7.384087 7.235780 8.099262 0.000000 10.216983 5.379734 6.108224 2.089781 4.941418 6.999254 7.489681 4.853020 4.245849 5.732155 4.755091 6.610809 5.375109 6.041007 7.208978 5.887383 3.941913 6.965333 8.008225 6.895761 8.594583 6.634010 9.357844 7.584739 4.899766 2.672294 8.895558 7.239749 1.091916 4.356504 3.331043 4.544442 6.428957 6.171591 7.917247 8.734426 7.641827 8.602478 7.808078 9.195084 5.593712 10.425130 7.444715 2.550277 7.220436 7.499498 8.080827 1.794422 0.000000 11.730728 5.868915 6.721511 2.035618 5.925913 7.686723 8.379904 4.780497 4.497173 6.488984 4.763449 7.712207 6.458198 5.684774 8.488962 5.655081 4.383613 6.453587 8.452729 6.437478 9.843647 8.082042 10.705742 9.102019 5.633360 3.238690 10.357153 7.999334 1.087745 4.347554 3.916100 5.814959 6.048783 5.999342 7.289817 9.237889 7.885529 8.998939 7.264303 10.330649 7.097550 11.745805 9.034966 3.535410 8.199204 8.201541 8.746549 1.786780 1.786711 0.000000 C22H21ClN2O4 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 0 391.6993999999997 AuxInfo=1/0/N:8;9;10;11;12;13;14;15;16;17;18;19;20;21;22;23;24;25;26;27;28;29;1;6;7;2;3;4;5;30;31;32;33;34;35;36;37;38;39;40;41;42;43;44;45;46;47;48;49;50/rA:50nCl0O0O0O0O0N0N0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:6.7492,.8882,.293;-2.1051,-1.487,-2.0207;-.2474,.3363,1.799;-3.1842,2.7812,-.9241;.4687,2.2866,.9341;-.4779,-2.5527,-.6988;.8114,-2.4206,-.3047;-3.3476,-.3307,-.2583;-2.8977,-.2945,-1.6966;-.8672,-1.5085,-1.4744;-2.792,.4872,.7428;1.2262,-1.2534,-.8234;.2006,-.637,-1.5754;-4.3266,-1.2716,.0893;2.5835,-.7486,-.5754;-3.2421,.3392,2.0643;-1.7564,1.5194,.4525;-4.758,-1.4144,1.4025;-1.262,-3.7191,-.3273;-4.2109,-.6005,2.3965;3.5549,-1.5481,.0465;2.9281,.5645,-.9283;4.828,-1.0561,.3135;4.1986,1.0704,-.6699;-.4171,1.4468,1.0597;-1.9977,2.5886,-.338;5.135,.2523,-.0478;1.0129,.2015,2.4961;-3.2821,3.9373,-1.7898;-3.7489,-.3544,-2.3729;-2.3124,.5881,-1.9431;.2184,.3002,-2.1046;-4.7468,-1.9004,-.6886;-2.8182,.972,2.8354;-5.5167,-2.148,1.65;-.9834,-4.5813,-.9369;-2.3153,-3.4917,-.4773;-1.0869,-3.9431,.7243;-4.5415,-.6948,3.4247;3.3148,-2.5654,.3281;2.1968,1.213,-1.3945;5.5687,-1.6822,.7948;4.4502,2.0876,-.9419;-1.2299,3.3333,-.5266;1.8467,.2442,1.7974;1.1102,.9897,3.2445;.9709,-.7735,2.976;-3.0717,4.8482,-1.2253;-2.5874,3.8367,-2.6261;-4.3069,3.9516,-2.1543; 0.2684963 0.0957757 0.0858257 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= 787 786 786 787 787 MxSgAt= 50 MxSgA2= 50. 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= 772 RedAO= T EigKep= 1.29D-06 NBF= 772 NBsUse= 765 1.00D-06 EigRej= 9.26D-07 NBFU= 765 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= 786 783 783 786 786 MxSgAt= 50 MxSgA2= 50. 1 -3.14004684e+00 8.26595978e-01 -7.48799969e-01 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 50 17 8 8 8 8 7 7 6 6 6 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 0.013115257 -0.004081692 0.007213925 -0.005032456 0.000194989 -0.011935655 -0.009347012 -0.006709581 -0.004971975 -0.008734411 0.004451889 -0.003485471 0.016048947 -0.000948154 0.007211554 -0.012243668 -0.001366878 -0.005957568 0.004399315 -0.018739236 -0.001570080 0.000428685 0.001383091 -0.001713301 -0.002014770 0.011352892 0.006302069 0.004108061 0.003166119 0.001789563 0.000927979 -0.000180840 0.000622378 0.011668903 0.005359407 0.006631830 0.004214224 0.006638786 0.002533957 -0.001924471 0.001688053 -0.004275544 -0.002533472 0.000705425 -0.001312748 0.000212782 -0.001215312 0.005034215 -0.000023469 -0.000990580 0.000082037 -0.004498429 -0.000811899 -0.002166336 -0.006102251 -0.003818420 -0.003243886 -0.003395525 -0.002138956 0.003047192 -0.001906727 -0.004738661 -0.001404946 0.000214535 0.005612092 -0.000173595 0.000346562 -0.005305648 -0.000442125 0.001988644 0.004416816 0.001810062 -0.007211091 0.010531307 -0.000675240 0.008280205 -0.006427815 0.001802692 -0.006381566 0.001963587 -0.003453879 0.004646466 -0.011121667 0.001651298 0.004203836 0.010563124 0.002626942 -0.000330222 -0.000425770 -0.001230801 0.000049098 -0.000772987 0.000337555 -0.000814514 -0.000765777 -0.000087648 0.000307477 0.000259505 -0.001141901 0.001020732 -0.000498397 0.000698332 -0.001453186 -0.000170705 -0.000517621 0.000582709 0.001358383 -0.001998385 -0.000994568 0.002041413 0.001092617 0.000944504 -0.001722127 0.000617858 -0.001085335 -0.000605046 0.000943453 -0.000810250 -0.000033039 -0.000323606 -0.000573193 0.000570400 0.000184203 0.000839127 -0.000879891 0.000317174 0.001009800 0.000242161 0.000643662 -0.000352391 0.000194168 -0.000159775 0.001192440 0.002383866 -0.001056599 -0.000201925 0.002338426 0.001931644 -0.002003823 -0.000586037 -0.001228395 -0.000173865 -0.001386153 0.001758222 0.001154447 -0.001282574 -0.001701246 -0.001762147 0.000307941 -0.000656108 0.018739236 0.004478604 (Enter /usr/local/gaussian/gaussian16/g16/l716.exe) Closed 1 1 1 -1721.98608170790 -1721.98608262950 -0.000000921606 -1721.98608263339 -0.000000003891 -1721.98608264018 -0.000000006786 -1721.98608264051 -0.000000000336 -1721.98608264052 -0.000000000003 -1721.98608264075 -0.000000000234 -1721.98608264022 0.000000000526 -1721.98608264 8 1.715635229292e+03 -9.959336341899e+03 3.560659541279e+03 Using DIIS extrapolation, IDIIS= 1040. NGot= 1415577600 LenX= 1414279281 LenY= 1413636879 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) PT449330.700S Tue Oct 8 18:52:11 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 50 Cl O O O O N N C C C 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 0.352437 -0.153228 0.015210 -0.082593 -0.358858 0.245425 -0.281630 0.291244 -0.432811 -0.294880 0.102332 0.286673 -0.311030 0.055140 0.149151 -0.167930 0.358707 -0.431731 -0.279809 -0.317325 -0.379360 -0.465226 -0.764710 -0.418410 -0.305758 -0.326198 0.696067 -0.276406 -0.262238 0.205268 0.188308 0.168948 0.156198 0.155489 0.164099 0.190329 0.189591 0.191989 0.165143 0.162108 0.163960 0.179205 0.177620 0.189258 0.206021 0.184257 0.188047 0.174339 0.178753 0.178815 -0.00000 -101.55828 -19.17774 -19.17234 -19.16356 -19.11428 -14.39279 -14.33070 -10.31172 -10.26298 -10.25117 -10.23998 -10.22947 -10.22063 -10.21502 -10.20511 -10.20105 -10.19656 -10.19539 -10.18902 -10.18873 -10.18762 -10.18750 -10.18402 -10.18325 -10.17763 -10.17751 -10.17697 -10.17642 -10.16378 -9.47284 -7.23722 -7.22782 -7.22746 -1.11189 -1.09024 -1.08792 -1.04222 -1.02163 -0.89736 -0.87362 -0.86135 -0.83350 -0.81835 -0.79435 -0.76896 -0.76123 -0.75447 -0.74995 -0.73871 -0.70359 -0.69722 -0.68771 -0.63219 -0.62536 -0.62288 -0.61219 -0.59756 -0.58686 -0.56327 -0.55904 -0.54576 -0.53970 -0.51956 -0.50331 -0.49857 -0.49786 -0.48892 -0.48762 -0.48244 -0.47657 -0.47220 -0.46756 -0.46527 -0.45460 -0.44820 -0.44522 -0.43519 -0.43210 -0.43022 -0.42249 -0.41872 -0.41052 -0.40790 -0.40398 -0.40012 -0.39390 -0.37996 -0.37520 -0.37236 -0.36835 -0.36278 -0.36136 -0.35983 -0.35067 -0.34615 -0.34256 -0.32448 -0.32092 -0.31404 -0.29952 -0.29723 -0.28382 -0.27100 -0.26807 -0.26120 -0.24337 -0.23610 -0.22491 -0.04965 -0.04339 -0.02942 -0.02587 -0.02107 0.00272 0.00749 0.00973 0.01536 0.01740 0.02075 0.02641 0.02907 0.03408 0.03433 0.03960 0.04276 0.04460 0.04623 0.05132 0.05484 0.05819 0.06075 0.06233 0.06714 0.06786 0.06994 0.07408 0.07487 0.07952 0.08158 0.08755 0.08904 0.09319 0.09509 0.09614 0.09873 0.10132 0.10375 0.10706 0.10951 0.11286 0.11848 0.12085 0.12349 0.12737 0.12862 0.13048 0.13292 0.13533 0.13800 0.14117 0.14374 0.14557 0.14775 0.15086 0.15175 0.15777 0.15984 0.16199 0.16419 0.16462 0.16596 0.16767 0.17060 0.17525 0.17907 0.18302 0.18401 0.18483 0.18804 0.19264 0.19522 0.19683 0.19875 0.20184 0.20342 0.20477 0.20771 0.20885 0.21193 0.21520 0.21575 0.21735 0.21807 0.22084 0.22346 0.22457 0.22576 0.22853 0.22988 0.23125 0.23391 0.23604 0.23863 0.24418 0.24490 0.24723 0.24919 0.25186 0.25393 0.25542 0.25878 0.25989 0.26292 0.26485 0.26919 0.27013 0.27155 0.27523 0.27720 0.27940 0.28291 0.28516 0.28621 0.29220 0.29390 0.29689 0.29933 0.30254 0.30626 0.30753 0.30933 0.31438 0.31898 0.32201 0.32339 0.32842 0.33051 0.33536 0.33759 0.34094 0.34193 0.34580 0.35000 0.35396 0.36017 0.36187 0.36327 0.36683 0.37101 0.37614 0.37770 0.37923 0.38391 0.38530 0.39230 0.40121 0.40260 0.40737 0.41013 0.41547 0.42254 0.42365 0.43041 0.43395 0.44045 0.44448 0.44721 0.45376 0.45544 0.46206 0.46335 0.46908 0.47625 0.48390 0.48885 0.49077 0.49775 0.50091 0.50500 0.50879 0.51632 0.51808 0.52911 0.53123 0.53487 0.54362 0.54526 0.55453 0.55775 0.56190 0.56357 0.57254 0.57483 0.57630 0.58169 0.58796 0.58967 0.59369 0.59906 0.60100 0.60610 0.61688 0.61942 0.62476 0.62874 0.63373 0.64124 0.64243 0.65239 0.65621 0.66305 0.66889 0.66970 0.67352 0.67974 0.68151 0.68652 0.69184 0.69339 0.69799 0.70052 0.70629 0.70771 0.71249 0.71772 0.72203 0.72511 0.72640 0.73164 0.73500 0.74469 0.74515 0.74791 0.75076 0.75328 0.75565 0.76096 0.76390 0.77061 0.77550 0.77893 0.78249 0.79277 0.79752 0.79783 0.80385 0.80562 0.81233 0.82680 0.83039 0.83360 0.84087 0.84636 0.84935 0.85369 0.86164 0.86267 0.86694 0.87006 0.87550 0.87928 0.88052 0.89051 0.89426 0.89807 0.90646 0.91059 0.91725 0.91929 0.93072 0.93452 0.93660 0.94763 0.95358 0.95729 0.96483 0.97324 0.98573 0.98618 0.99002 0.99738 1.00257 1.00812 1.01279 1.02292 1.02576 1.03449 1.04466 1.04699 1.05900 1.06622 1.07055 1.07509 1.07898 1.08106 1.08758 1.09195 1.09373 1.09994 1.10936 1.11060 1.11899 1.12546 1.13532 1.13921 1.15687 1.16342 1.16735 1.17471 1.17815 1.18358 1.19200 1.19560 1.21163 1.21921 1.22552 1.24403 1.25269 1.26276 1.27344 1.28549 1.29173 1.29574 1.30112 1.31067 1.31641 1.32650 1.33058 1.33612 1.34800 1.35224 1.36402 1.38357 1.39543 1.40286 1.42217 1.42517 1.42755 1.44417 1.44449 1.44760 1.46462 1.47543 1.48580 1.49471 1.50496 1.50883 1.51441 1.51653 1.52108 1.53147 1.53268 1.54179 1.55033 1.55836 1.56172 1.56581 1.57042 1.57470 1.57994 1.58174 1.58478 1.59825 1.60011 1.60773 1.61298 1.61532 1.62455 1.63238 1.63574 1.63727 1.64790 1.65937 1.66819 1.67334 1.68014 1.68445 1.68753 1.69195 1.69767 1.70533 1.71162 1.71753 1.72269 1.73089 1.73864 1.74280 1.75000 1.75268 1.76072 1.76415 1.76779 1.77770 1.78518 1.79205 1.80192 1.81046 1.81914 1.82732 1.83741 1.84427 1.84642 1.86842 1.87456 1.88176 1.88444 1.88876 1.89924 1.90483 1.91339 1.91412 1.92142 1.92915 1.93595 1.93724 1.94863 1.95689 1.96180 1.96535 1.96852 1.97234 1.97698 1.98319 1.98906 1.99145 1.99393 2.01236 2.01900 2.02335 2.04029 2.04897 2.07005 2.07373 2.08111 2.08402 2.08803 2.09152 2.10521 2.11777 2.12180 2.13294 2.13795 2.14476 2.15693 2.15921 2.17125 2.18509 2.19133 2.20723 2.21672 2.22488 2.24109 2.24412 2.25891 2.27504 2.29087 2.29512 2.32659 2.33189 2.34814 2.35539 2.37714 2.39273 2.40168 2.40548 2.42537 2.43004 2.43276 2.43698 2.44594 2.45526 2.47085 2.47919 2.48323 2.49506 2.50389 2.51330 2.52746 2.53351 2.53927 2.54461 2.55132 2.56080 2.57220 2.58584 2.59271 2.60762 2.61946 2.62242 2.62485 2.63680 2.64097 2.64553 2.65553 2.66821 2.67238 2.68564 2.69161 2.70617 2.71423 2.71532 2.72390 2.73407 2.73978 2.75590 2.75898 2.76281 2.76992 2.77253 2.77994 2.78574 2.79098 2.80289 2.80948 2.81604 2.82472 2.83605 2.83976 2.84692 2.85062 2.85375 2.85863 2.86579 2.86738 2.88135 2.88782 2.89929 2.90396 2.91616 2.91967 2.93436 2.93891 2.94498 2.95759 2.96974 2.97322 2.99437 3.01316 3.01951 3.02139 3.03465 3.04509 3.05263 3.07391 3.08282 3.09046 3.10043 3.10517 3.12246 3.14950 3.15910 3.16819 3.18129 3.18603 3.19043 3.19887 3.21111 3.22712 3.23928 3.25319 3.26090 3.28750 3.30037 3.31398 3.33994 3.36266 3.36576 3.37603 3.38446 3.40182 3.42118 3.44210 3.46671 3.47221 3.49630 3.51555 3.56283 3.58140 3.60232 3.61286 3.62394 3.67199 3.68165 3.73197 3.76328 3.78416 3.79375 3.80565 3.81382 3.81656 3.83962 3.84895 3.86979 3.88535 3.90528 3.91187 3.98192 4.00338 4.02977 4.03527 4.04963 4.06968 4.08164 4.08994 4.11494 4.15876 4.16438 4.16837 4.20176 4.23262 4.27390 4.33666 4.36085 4.42897 4.49644 4.71220 4.84050 4.85717 5.01606 5.04157 5.13608 5.14653 5.17785 5.24984 5.39735 5.40798 5.44250 5.45782 5.64697 5.79626 5.80946 5.91516 9.77912 23.61061 23.64656 23.76161 23.79871 23.86925 23.88281 23.92303 23.94324 23.95493 23.96254 23.96561 23.97475 23.99543 23.99964 24.04594 24.05455 24.10025 24.10110 24.16215 24.17372 24.18178 24.21420 25.83586 26.11652 26.59835 35.55772 35.63350 49.92227 49.95073 49.98969 50.05592 215.77123 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 50 Cl O O O O N N C C C 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 0.367789 -0.168584 0.025260 -0.101509 -0.367528 0.397352 -0.429931 0.421413 -0.555846 -0.270549 0.246713 0.449283 -0.091113 -0.055971 0.393970 -0.232554 0.273387 -0.362357 -0.279262 -0.347911 -0.628275 -0.751846 -0.617294 -0.557511 -0.302217 -0.284075 0.566993 -0.291029 -0.255832 0.206515 0.185980 0.167364 0.155632 0.160171 0.165427 0.192830 0.192683 0.190458 0.167073 0.168404 0.169441 0.182012 0.181138 0.193172 0.214215 0.188256 0.189070 0.177288 0.180852 0.181054 -0.00000 -3.23592694e+00 7.18596697e-01 -6.95474880e-01 ./ancestor::cml:module[@dictRef='cc:finalization']/cml:molecule[@id='mol9999'] -8.2249 1.8265 -1.7677 8.6087 -182.7743 -155.9930 -164.7262 -7.6514 7.2781 -18.7368 -14.9431 11.8382 3.1050 -7.6514 7.2781 -18.7368 -205.8861 52.9239 31.3728 -87.2354 -31.7950 -6.6987 -38.1000 35.9422 -46.2258 18.2147 -12731.4222 -2939.5855 -1771.0652 -77.1673 160.5202 -178.2722 -189.1402 44.8550 -72.2318 -2270.6815 -2177.4418 -824.6428 -203.1803 121.6569 -57.5270 (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A) (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A) (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A) (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(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 -1721.9860826 2.534E-9 3.034E-6 -11.0233027,18.9871761,-7.9638734,8.1044978,1.2886623,4.3287589 C01 [X(C22H21Cl1N2O4)] -2.3659735 2.4184009 -0.1574681 0.000002791 -0.000003459 0.000005285 0.000001097 0.000001409 -0.000001554 -0.000003509 0.000008621 -0.000000729 -0.000003370 0.000001231 -0.000005326 0.000001859 0.000000884 -0.000000961 0.000001331 0.000004469 0.000008088 -0.000004909 -0.000002583 -0.000001009 0.000000103 0.000005972 -0.000004844 0.000001269 -0.000006013 -0.000001102 -0.000005192 -0.000010882 -0.000001274 0.000002068 -0.000003280 0.000004254 0.000003113 0.000003710 0.000000845 0.000007645 -0.000004213 -0.000000950 0.000001892 0.000001613 -0.000001140 -0.000000798 -0.000003095 0.000001665 0.000001450 0.000003098 -0.000001120 -0.000002055 0.000002703 -0.000006651 -0.000001046 -0.000000453 0.000000112 -0.000000795 -0.000004216 -0.000001185 -0.000001450 0.000003179 -0.000001619 -0.000000868 -0.000001996 0.000001997 -0.000001264 -0.000001741 0.000000362 0.000000692 -0.000003466 0.000003612 0.000002669 -0.000001719 0.000003310 -0.000002196 -0.000001356 0.000004475 0.000002792 -0.000001607 0.000001865 -0.000007909 0.000001761 -0.000001298 0.000005386 -0.000007443 0.000004923 0.000005056 0.000006882 -0.000001389 0.000001535 -0.000000004 -0.000002388 0.000000752 0.000001723 -0.000003116 -0.000002729 -0.000000210 0.000001031 0.000000216 0.000000470 -0.000001485 -0.000000664 0.000002639 -0.000000538 -0.000000251 0.000002491 -0.000000471 -0.000001498 -0.000000793 0.000000882 0.000000838 -0.000001184 -0.000001642 0.000000131 -0.000000606 0.000002987 -0.000000186 0.000002416 -0.000000128 -0.000001579 -0.000001811 0.000003009 -0.000000234 -0.000001126 -0.000000130 -0.000001817 -0.000001739 0.000003882 -0.000000522 -0.000001497 0.000000903 0.000000822 0.000001604 -0.000003484 -0.000001430 0.000002041 0.000001224 -0.000001976 0.000002485 0.000000888 -0.000001894 0.000001748 0.000002046 0.000000744 0.000001490 -0.000003910 0.000001661 0.000000372 -0.000003364 0.000002227 0.000001483 -0.000004837 391.6993999999997 AuxInfo=1/0/N:8;9;10;11;12;13;14;15;16;17;18;19;20;21;22;23;24;25;26;27;28;29;1;6;7;2;3;4;5;30;31;32;33;34;35;36;37;38;39;40;41;42;43;44;45;46;47;48;49;50/rA:50nCl0O0O0O0O0N0N0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:5.9703,-2.8768,1.3412;-1.4956,1.3688,-2.6122;-.9131,-.8422,1.405;-1.744,3.7726,1.2277;.5809,.551,2.3492;-.8832,-.8937,-2.4206;.1239,-1.6781,-1.9673;-2.9832,1.5387,-.677;-2.0025,2.2628,-1.5637;-.6353,.4188,-2.1776;-2.6797,1.1328,.6356;1.0065,-.837,-1.404;.5733,.5037,-1.5128;-4.2313,1.2123,-1.2249;2.2312,-1.3346,-.7628;-3.6435,.4154,1.3617;-1.3807,1.4511,1.2939;-5.174,.4945,-.499;-2.0302,-1.4648,-3.1073;-4.8762,.0947,.8053;2.6203,-2.6778,-.8809;3.0245,-.4772,.0138;3.7602,-3.1551,-.243;4.1693,-.9394,.6563;-.4696,.383,1.7377;-.9903,2.7179,1.5566;4.5227,-2.2775,.5219;-.1239,-1.9675,1.8557;-1.1747,5.0718,1.5166;-2.4933,3.0622,-2.1165;-1.1555,2.6766,-1.0219;1.0508,1.4008,-1.1578;-4.4552,1.5264,-2.239;-3.4126,.1063,2.3746;-6.1337,.2529,-.9413;-1.7713,-1.7321,-4.134;-2.8327,-.7302,-3.1132;-2.3581,-2.3538,-2.5699;-5.6034,-.4602,1.3873;2.0259,-3.3599,-1.4752;2.7433,.561,.1389;4.0496,-4.1939,-.3405;4.7699,-.2689,1.2577;-.0433,2.9245,2.0467;.8984,-1.8933,1.4889;-.1287,-2.0125,2.946;-.6128,-2.8447,1.4382;-.9739,5.1647,2.5861;-.2572,5.213,.9417;-1.9229,5.8003,1.212; Gaussian 16 GINC-HAMILTON20 APULGAR Optimization pyraoxystrobin CONF30 water EM64L-G16RevC.01 144 C1[X(C22H21ClN2O4)] 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 0 391.6993999999997 AuxInfo=1/0/N:8;9;10;11;12;13;14;15;16;17;18;19;20;21;22;23;24;25;26;27;28;29;1;6;7;2;3;4;5;30;31;32;33;34;35;36;37;38;39;40;41;42;43;44;45;46;47;48;49;50/rA:50nCl0O0O0O0O0N0N0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:5.9703,-2.8768,1.3412;-1.4956,1.3688,-2.6122;-.9131,-.8422,1.405;-1.744,3.7726,1.2277;.5809,.551,2.3492;-.8832,-.8937,-2.4206;.1239,-1.6781,-1.9673;-2.9832,1.5387,-.677;-2.0025,2.2628,-1.5637;-.6353,.4188,-2.1776;-2.6797,1.1328,.6356;1.0065,-.837,-1.404;.5733,.5037,-1.5128;-4.2313,1.2123,-1.2249;2.2312,-1.3346,-.7628;-3.6435,.4154,1.3617;-1.3807,1.4511,1.2939;-5.174,.4945,-.499;-2.0302,-1.4648,-3.1073;-4.8762,.0947,.8053;2.6203,-2.6778,-.8809;3.0245,-.4772,.0138;3.7602,-3.1551,-.243;4.1693,-.9394,.6563;-.4696,.383,1.7377;-.9903,2.7179,1.5566;4.5227,-2.2775,.5219;-.1239,-1.9675,1.8557;-1.1747,5.0718,1.5166;-2.4933,3.0622,-2.1165;-1.1555,2.6766,-1.0219;1.0508,1.4008,-1.1578;-4.4552,1.5264,-2.239;-3.4126,.1063,2.3746;-6.1337,.2529,-.9413;-1.7713,-1.7321,-4.134;-2.8327,-.7302,-3.1132;-2.3581,-2.3538,-2.5699;-5.6034,-.4602,1.3873;2.0259,-3.3599,-1.4752;2.7433,.561,.1389;4.0496,-4.1939,-.3405;4.7699,-.2689,1.2577;-.0433,2.9245,2.0467;.8984,-1.8933,1.4889;-.1287,-2.0125,2.946;-.6128,-2.8447,1.4382;-.9739,5.1647,2.5861;-.2572,5.213,.9417;-1.9229,5.8003,1.212; Optimization pyraoxystrobin CONF30 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 50 35 16 16 16 16 14 14 12 12 12 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 34.9688527 15.9949146 15.9949146 15.9949146 15.9949146 14.0030740 14.0030740 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 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 3 0 0 0 0 2 2 0 0 0 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 14.2400000 5.6000000 5.6000000 5.6000000 5.6000000 4.5500000 4.5500000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 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 (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 R51 R52 1 2 2 3 3 4 4 5 6 6 6 7 8 8 8 9 9 10 11 11 12 12 13 14 14 15 15 16 16 17 17 18 18 19 19 19 20 21 21 22 22 23 23 24 24 26 28 28 28 29 29 29 27 9 10 25 28 26 29 25 7 10 19 12 9 11 14 30 31 13 16 17 13 15 32 18 33 21 22 20 34 25 26 20 35 36 37 38 39 23 40 24 41 27 42 27 43 44 45 46 47 48 49 50 1.7681 1.4681 1.3533 1.3448 1.4465 1.3373 1.4476 1.2271 1.3546 1.3577 1.4537 1.343 1.5074 1.407 1.4017 1.0888 1.0873 1.382 1.4039 1.4907 1.4132 1.4692 1.0765 1.3896 1.0849 1.4034 1.4027 1.3899 1.0839 1.4724 1.3514 1.3963 1.084 1.0921 1.0879 1.0894 1.0842 1.3907 1.0825 1.3917 1.0829 1.3917 1.0827 1.3904 1.0826 1.0861 1.0887 1.0913 1.0875 1.0921 1.0919 1.0877 calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|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 9 25 26 7 7 10 6 9 9 11 2 2 2 8 8 30 2 2 6 8 8 16 7 7 13 10 10 12 8 8 18 12 12 21 11 11 20 11 11 25 14 14 20 6 6 6 36 36 37 16 16 18 15 15 23 15 15 24 21 21 27 22 22 27 3 3 5 4 4 17 1 1 23 3 3 3 45 45 46 4 4 4 48 48 49 2 3 4 6 6 6 7 8 8 8 9 9 9 9 9 9 10 10 10 11 11 11 12 12 12 13 13 13 14 14 14 15 15 15 16 16 16 17 17 17 18 18 18 19 19 19 19 19 19 20 20 20 21 21 21 22 22 22 23 23 23 24 24 24 25 25 25 26 26 26 27 27 27 28 28 28 28 28 28 29 29 29 29 29 29 10 28 29 10 19 19 12 11 14 14 8 30 31 30 31 31 6 13 13 16 17 17 13 15 15 12 32 32 18 33 33 21 22 22 20 34 34 25 26 26 20 35 35 36 37 38 37 38 38 18 39 39 23 40 40 24 41 41 27 42 42 27 43 43 5 17 17 17 44 44 23 24 24 45 46 47 46 47 47 48 49 50 49 50 50 114.6842 116.8601 115.9216 111.3536 121.1475 127.4722 105.4469 123.1632 117.4647 119.3119 110.6246 103.8958 108.5843 110.978 113.3555 108.9489 120.3387 131.8566 107.7695 118.8061 122.5677 118.6205 111.1273 121.2503 127.6176 104.2871 126.7079 129.0017 121.3434 118.7991 119.8568 121.2332 120.4026 118.3455 121.3151 118.8657 119.8189 121.1632 122.5293 116.2739 119.4184 120.1687 120.412 110.6841 108.6203 108.9647 109.5786 109.5985 109.37 119.8031 119.87 120.3263 121.1426 119.8078 119.0494 121.1858 120.2028 118.6022 118.9927 120.4696 120.5377 118.9485 120.4721 120.5774 122.0298 112.4718 125.4976 121.9187 116.8908 121.1905 119.3078 119.3079 121.3842 110.7493 109.9344 105.2262 110.0954 110.3577 110.3834 110.1247 109.9637 105.9423 110.4946 110.1067 110.1134 calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|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 10 10 10 9 9 28 28 25 25 25 29 29 26 26 26 10 19 7 7 19 19 7 7 7 10 10 10 6 6 11 11 11 14 14 14 9 9 14 14 9 9 11 11 2 2 6 6 8 8 17 17 8 8 16 16 7 7 15 15 7 7 13 13 8 8 33 33 12 12 22 22 12 12 21 21 11 11 34 34 11 11 26 26 11 11 25 25 14 14 35 35 15 15 40 40 15 15 41 41 21 21 42 42 22 22 43 43 2 2 2 2 2 3 3 3 3 3 4 4 4 4 4 6 6 6 6 6 6 6 6 6 6 6 6 7 7 8 8 8 8 8 8 8 8 8 8 8 8 8 8 10 10 10 10 11 11 11 11 11 11 11 11 12 12 12 12 12 12 12 12 14 14 14 14 15 15 15 15 15 15 15 15 16 16 16 16 17 17 17 17 17 17 17 17 18 18 18 18 21 21 21 21 22 22 22 22 23 23 23 23 24 24 24 24 9 9 9 10 10 25 25 28 28 28 26 26 29 29 29 7 7 10 10 10 10 19 19 19 19 19 19 12 12 9 9 9 9 9 9 11 11 11 11 14 14 14 14 13 13 13 13 16 16 16 16 17 17 17 17 13 13 13 13 15 15 15 15 18 18 18 18 21 21 21 21 22 22 22 22 20 20 20 20 25 25 25 25 26 26 26 26 20 20 20 20 23 23 23 23 24 24 24 24 27 27 27 27 27 27 27 27 8 30 31 6 13 5 17 45 46 47 17 44 48 49 50 12 12 2 13 2 13 36 37 38 36 37 38 13 15 2 30 31 2 30 31 16 17 16 17 18 33 18 33 12 32 12 32 20 34 20 34 25 26 25 26 10 32 10 32 21 22 21 22 20 35 20 35 23 40 23 40 24 41 24 41 18 39 18 39 3 5 3 5 4 44 4 44 16 39 16 39 27 42 27 42 27 43 27 43 1 24 1 24 1 23 1 23 -72.2226 168.6226 52.7673 124.3491 -58.0959 2.7776 -176.9265 -57.474 64.4121 -176.7265 -177.4006 2.5351 -59.5676 62.4266 -178.6091 1.2869 179.5398 176.8766 -1.2113 -1.2393 -179.3273 -76.5568 163.0998 44.0311 101.3929 -18.9506 -138.0193 -0.8766 178.3805 106.5652 -138.6554 -15.6728 -70.59 44.1894 167.172 -177.408 3.4728 -0.3029 -179.4221 177.176 -2.5142 -0.093 -179.7831 -177.1731 3.4492 0.6112 -178.7666 0.4977 -179.7102 179.6522 -0.5557 -118.6178 63.5698 62.2613 -115.551 0.172 179.5301 -179.0262 0.3319 9.2598 -169.1427 -171.6151 9.9825 0.3044 179.9634 179.9913 -0.3497 -178.2153 1.622 0.2192 -179.9435 178.3484 -0.5325 -0.0996 -178.9804 -0.2906 -179.9921 179.9192 0.2177 3.8117 -175.8802 -178.2452 2.0629 -0.7072 179.3598 -178.6196 1.4474 -0.1129 179.5871 -179.7711 -0.071 -0.0933 179.9246 -179.9318 0.0861 -0.1424 -179.6313 178.756 -0.733 179.7839 -0.159 -0.2339 179.8232 -179.6678 0.2751 -0.1794 179.7635 calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|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. 0.00023 0.00159 0.00283 0.00321 0.00342 0.00499 0.00539 0.00658 0.00714 0.01080 0.01136 0.01500 0.01620 0.01686 0.01734 0.01749 0.01802 0.01918 0.01953 0.02175 0.02189 0.02216 0.02271 0.02422 0.02449 0.02514 0.02578 0.02625 0.02689 0.02821 0.02841 0.02852 0.02949 0.03246 0.04431 0.04658 0.05007 0.05534 0.05916 0.05928 0.06244 0.08023 0.08200 0.08275 0.08326 0.08383 0.09651 0.09664 0.10792 0.11190 0.11505 0.11724 0.11895 0.12115 0.12158 0.12367 0.12488 0.12629 0.12663 0.13071 0.13417 0.14308 0.15108 0.16291 0.17175 0.17677 0.17880 0.18172 0.18369 0.18405 0.18497 0.18615 0.18836 0.19023 0.19199 0.19317 0.19320 0.19437 0.19575 0.19944 0.20867 0.21456 0.22332 0.22704 0.23013 0.23555 0.24076 0.24646 0.24830 0.25464 0.25930 0.27101 0.29364 0.30024 0.30697 0.32007 0.32697 0.32930 0.33011 0.33248 0.33616 0.33666 0.33976 0.34477 0.34522 0.34576 0.34647 0.34949 0.35169 0.35414 0.35557 0.35624 0.35663 0.35787 0.35847 0.35901 0.35975 0.36089 0.36173 0.36434 0.36530 0.36627 0.37672 0.38431 0.40526 0.40957 0.40988 0.41955 0.42862 0.43406 0.44302 0.45589 0.45845 0.46041 0.46095 0.46200 0.46599 0.47970 0.49966 0.50357 0.54578 0.58981 0.74673 1.66568 Angle between quadratic step and forces= 72.18 degrees. 1 2 0.00032362 0.00000008 0.00000004 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 R51 R52 A1 A2 A3 A4 A5 A6 A7 A8 A9 A10 A11 A12 A13 A14 A15 A16 A17 A18 A19 A20 A21 A22 A23 A24 A25 A26 A27 A28 A29 A30 A31 A32 A33 A34 A35 A36 A37 A38 A39 A40 A41 A42 A43 A44 A45 A46 A47 A48 A49 A50 A51 A52 A53 A54 A55 A56 A57 A58 A59 A60 A61 A62 A63 A64 A65 A66 A67 A68 A69 A70 A71 A72 A73 A74 A75 A76 A77 A78 A79 A80 A81 A82 A83 A84 A85 D1 D2 D3 D4 D5 D6 D7 D8 D9 D10 D11 D12 D13 D14 D15 D16 D17 D18 D19 D20 D21 D22 D23 D24 D25 D26 D27 D28 D29 D30 D31 D32 D33 D34 D35 D36 D37 D38 D39 D40 D41 D42 D43 D44 D45 D46 D47 D48 D49 D50 D51 D52 D53 D54 D55 D56 D57 D58 D59 D60 D61 D62 D63 D64 D65 D66 D67 D68 D69 D70 D71 D72 D73 D74 D75 D76 D77 D78 D79 D80 D81 D82 D83 D84 D85 D86 D87 D88 D89 D90 D91 D92 D93 D94 D95 D96 D97 D98 D99 D100 D101 D102 D103 D104 D105 D106 D107 3.34119 2.77432 2.55739 2.54131 2.73348 2.52712 2.73557 2.31882 2.55982 2.56567 2.74717 2.53785 2.84865 2.65890 2.64875 2.05755 2.05475 2.61162 2.65294 2.81694 2.67057 2.77644 2.03420 2.62602 2.05025 2.65196 2.65078 2.62658 2.04834 2.78235 2.55380 2.63865 2.04848 2.06369 2.05591 2.05861 2.04883 2.62810 2.04560 2.62993 2.04629 2.62992 2.04607 2.62751 2.04582 2.05248 2.05735 2.06218 2.05507 2.06375 2.06342 2.05554 2.00162 2.03959 2.02321 1.94349 2.11442 2.22481 1.84040 2.14960 2.05015 2.08239 1.93076 1.81332 1.89515 1.93693 1.97843 1.90152 2.10031 2.30133 1.88093 2.07356 2.13921 2.07032 1.93954 2.11622 2.22735 1.82015 2.21147 2.25150 2.11784 2.07344 2.09190 2.11592 2.10142 2.06552 2.11735 2.07460 2.09123 2.11470 2.13854 2.02936 2.08424 2.09734 2.10159 1.93180 1.89578 1.90179 1.91251 1.91286 1.90887 2.09096 2.09213 2.10009 2.11434 2.09104 2.07780 2.11509 2.09794 2.07000 2.07681 2.10259 2.10378 2.07604 2.10264 2.10447 2.12982 1.96300 2.19035 2.12788 2.04013 2.11517 2.08231 2.08232 2.11855 1.93294 1.91872 1.83654 1.92153 1.92610 1.92655 1.92204 1.91923 1.84904 1.92849 1.92172 1.92184 -1.26052 2.94302 0.92096 2.17030 -1.01396 0.04848 -3.08795 -1.00311 1.12420 -3.08446 -3.09622 0.04425 -1.03965 1.08955 -3.11732 0.02246 3.13356 3.08708 -0.02114 -0.02163 -3.12985 -1.33617 2.84663 0.76849 1.76964 -0.33075 -2.40889 -0.01530 3.11333 1.85991 -2.41999 -0.27354 -1.23203 0.77125 2.91770 -3.09635 0.06061 -0.00529 -3.13151 3.09230 -0.04388 -0.00162 -3.13781 -3.09225 0.06020 0.01067 -3.12007 0.00869 -3.13653 3.13552 -0.00970 -2.07027 1.10950 1.08667 -2.01675 0.00300 3.13339 -3.12460 0.00579 0.16161 -2.95210 -2.99525 0.17423 0.00531 3.14095 3.14144 -0.00610 -3.11044 0.02831 0.00383 -3.14061 3.11277 -0.00929 -0.00174 -3.12380 -0.00507 -3.14145 3.14018 0.00380 0.06653 -3.06969 -3.11097 0.03600 -0.01234 3.13042 -3.11750 0.02526 -0.00197 3.13439 -3.13760 -0.00124 -0.00163 3.14028 -3.14040 0.00150 -0.00249 -3.13516 3.11988 -0.01279 3.13782 -0.00277 -0.00408 3.13851 -3.13579 0.00480 -0.00313 3.13746 0.00001 -0.00000 0.00000 -0.00000 0.00001 0.00001 0.00001 0.00000 -0.00000 -0.00001 0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00001 -0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00001 -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 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00003 -0.00000 0.00000 -0.00001 0.00004 0.00001 0.00002 0.00000 -0.00001 -0.00002 0.00001 0.00001 -0.00001 0.00002 -0.00000 0.00000 0.00000 0.00001 -0.00001 -0.00001 -0.00001 0.00000 0.00000 0.00001 0.00000 0.00000 -0.00000 0.00001 -0.00000 0.00001 0.00001 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00001 -0.00000 -0.00000 -0.00001 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00001 -0.00000 -0.00001 0.00000 -0.00001 0.00001 0.00000 0.00000 -0.00000 -0.00000 -0.00001 -0.00001 0.00000 0.00000 0.00002 -0.00002 0.00001 -0.00001 0.00000 -0.00000 -0.00002 0.00002 -0.00001 -0.00001 0.00002 -0.00000 -0.00003 0.00003 0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00001 0.00003 -0.00002 -0.00001 -0.00000 -0.00000 0.00000 -0.00001 -0.00000 -0.00000 -0.00002 0.00002 0.00001 0.00000 -0.00001 0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00001 0.00000 -0.00001 0.00000 0.00000 -0.00001 0.00001 0.00000 -0.00000 0.00000 -0.00000 0.00001 -0.00001 0.00000 -0.00001 -0.00001 0.00001 -0.00001 -0.00002 -0.00001 0.00002 0.00002 0.00001 -0.00002 0.00001 -0.00001 0.00001 0.00001 -0.00000 0.00010 0.00010 0.00012 -0.00004 -0.00009 -0.00000 -0.00003 0.00016 0.00016 0.00015 -0.00027 -0.00031 -0.00034 -0.00034 -0.00034 0.00002 -0.00014 -0.00006 -0.00002 0.00011 0.00015 0.00025 0.00028 0.00027 0.00006 0.00009 0.00008 -0.00001 -0.00001 -0.00011 -0.00012 -0.00013 -0.00004 -0.00005 -0.00006 0.00011 0.00020 0.00004 0.00013 -0.00009 -0.00009 -0.00002 -0.00003 0.00006 0.00016 0.00001 0.00011 -0.00003 -0.00001 -0.00011 -0.00010 -0.00016 -0.00009 -0.00007 0.00000 -0.00000 -0.00010 -0.00000 -0.00010 -0.00014 -0.00014 -0.00014 -0.00014 -0.00002 -0.00002 -0.00001 -0.00002 -0.00001 -0.00002 -0.00000 -0.00001 0.00000 -0.00000 -0.00000 -0.00001 -0.00001 -0.00001 -0.00003 -0.00002 -0.00007 -0.00010 -0.00014 -0.00017 -0.00008 -0.00004 -0.00001 0.00003 0.00003 0.00003 0.00004 0.00004 0.00000 -0.00000 0.00001 0.00001 0.00000 0.00000 0.00001 0.00001 -0.00000 -0.00000 0.00001 0.00001 -0.00000 -0.00000 -0.00000 -0.00000 0.00003 -0.00000 0.00000 -0.00001 0.00004 0.00001 0.00002 0.00000 -0.00001 -0.00002 0.00001 0.00001 -0.00001 0.00002 -0.00000 0.00000 0.00000 0.00001 -0.00001 -0.00001 -0.00001 0.00000 0.00000 0.00001 0.00000 0.00000 -0.00000 0.00001 -0.00000 0.00001 0.00001 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00001 -0.00000 -0.00000 -0.00001 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00001 -0.00000 -0.00001 0.00000 -0.00001 0.00001 0.00000 0.00000 -0.00000 -0.00000 -0.00001 -0.00001 0.00000 0.00000 0.00002 -0.00002 0.00001 -0.00001 0.00000 -0.00000 -0.00002 0.00002 -0.00001 -0.00001 0.00002 -0.00000 -0.00003 0.00003 0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00001 0.00003 -0.00002 -0.00001 -0.00000 -0.00000 0.00000 -0.00001 -0.00000 -0.00000 -0.00002 0.00002 0.00001 0.00000 -0.00001 0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00001 0.00000 -0.00001 0.00000 0.00000 -0.00001 0.00001 0.00000 -0.00000 0.00000 -0.00000 0.00001 -0.00001 0.00000 -0.00001 -0.00001 0.00001 -0.00001 -0.00002 -0.00001 0.00002 0.00002 0.00001 -0.00002 0.00001 -0.00001 0.00001 0.00001 -0.00000 0.00010 0.00010 0.00012 -0.00004 -0.00009 -0.00000 -0.00003 0.00016 0.00016 0.00015 -0.00027 -0.00031 -0.00034 -0.00034 -0.00034 0.00002 -0.00014 -0.00006 -0.00002 0.00011 0.00015 0.00025 0.00028 0.00027 0.00006 0.00009 0.00008 -0.00001 -0.00001 -0.00011 -0.00012 -0.00013 -0.00004 -0.00005 -0.00006 0.00011 0.00020 0.00004 0.00013 -0.00009 -0.00009 -0.00002 -0.00003 0.00006 0.00016 0.00001 0.00011 -0.00003 -0.00001 -0.00011 -0.00010 -0.00016 -0.00009 -0.00007 0.00000 -0.00000 -0.00010 -0.00000 -0.00010 -0.00014 -0.00014 -0.00014 -0.00014 -0.00002 -0.00002 -0.00001 -0.00002 -0.00001 -0.00002 -0.00000 -0.00001 0.00000 -0.00000 -0.00000 -0.00001 -0.00001 -0.00001 -0.00003 -0.00002 -0.00007 -0.00010 -0.00014 -0.00017 -0.00008 -0.00004 -0.00001 0.00003 0.00003 0.00003 0.00004 0.00004 0.00000 -0.00000 0.00001 0.00001 0.00000 0.00000 0.00001 0.00001 -0.00000 -0.00000 0.00001 0.00001 -0.00000 -0.00000 -0.00000 -0.00000 3.34122 2.77431 2.55740 2.54130 2.73352 2.52714 2.73559 2.31882 2.55981 2.56565 2.74717 2.53787 2.84864 2.65891 2.64874 2.05756 2.05475 2.61164 2.65294 2.81693 2.67057 2.77644 2.03421 2.62603 2.05025 2.65196 2.65078 2.62658 2.04834 2.78236 2.55381 2.63864 2.04848 2.06369 2.05591 2.05861 2.04883 2.62810 2.04560 2.62994 2.04629 2.62991 2.04607 2.62751 2.04582 2.05247 2.05734 2.06218 2.05507 2.06374 2.06342 2.05554 2.00163 2.03959 2.02320 1.94349 2.11441 2.22482 1.84040 2.14961 2.05014 2.08238 1.93076 1.81332 1.89516 1.93693 1.97845 1.90150 2.10032 2.30132 1.88093 2.07355 2.13919 2.07034 1.93953 2.11621 2.22736 1.82015 2.21144 2.25154 2.11784 2.07344 2.09189 2.11592 2.10142 2.06552 2.11735 2.07460 2.09123 2.11473 2.13852 2.02935 2.08424 2.09734 2.10159 1.93180 1.89578 1.90179 1.91249 1.91287 1.90888 2.09096 2.09212 2.10009 2.11434 2.09104 2.07781 2.11509 2.09793 2.07000 2.07681 2.10260 2.10378 2.07603 2.10264 2.10448 2.12982 1.96301 2.19034 2.12789 2.04012 2.11517 2.08231 2.08231 2.11857 1.93293 1.91870 1.83653 1.92154 1.92612 1.92656 1.92202 1.91923 1.84904 1.92850 1.92173 1.92184 -1.26042 2.94312 0.92108 2.17026 -1.01406 0.04848 -3.08798 -1.00295 1.12436 -3.08431 -3.09649 0.04394 -1.03999 1.08921 -3.11766 0.02248 3.13342 3.08702 -0.02116 -0.02152 -3.12970 -1.33592 2.84691 0.76875 1.76970 -0.33066 -2.40881 -0.01531 3.11332 1.85980 -2.42011 -0.27367 -1.23207 0.77120 2.91764 -3.09624 0.06081 -0.00524 -3.13137 3.09222 -0.04397 -0.00165 -3.13783 -3.09219 0.06036 0.01068 -3.11996 0.00866 -3.13654 3.13541 -0.00979 -2.07043 1.10942 1.08659 -2.01674 0.00300 3.13329 -3.12460 0.00569 0.16147 -2.95224 -2.99539 0.17408 0.00530 3.14093 3.14143 -0.00612 -3.11045 0.02829 0.00382 -3.14062 3.11277 -0.00930 -0.00174 -3.12380 -0.00509 -3.14146 3.14015 0.00378 0.06646 -3.06979 -3.11110 0.03584 -0.01242 3.13038 -3.11751 0.02529 -0.00194 3.13442 -3.13756 -0.00120 -0.00162 3.14027 -3.14039 0.00151 -0.00248 -3.13516 3.11989 -0.01279 3.13782 -0.00278 -0.00408 3.13851 -3.13580 0.00480 -0.00313 3.13746 |Maximum Force|RMS Force|Maximum Displacement|RMS Displacement| 0.000008 0.000001 0.002195 0.000324 0.000450 0.000300 0.001800 0.001200 YES YES NO YES -4.117734e-09 6-311+G(d,p) (5D, 7F) 0.10000e-02 0.10000e-05 F 801 A 772 A 772 1229 801 108 108 2961.1006547289 50 50 50 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 -0.0615048948 PCM SMD-Coulomb. Total charges None Matrix inversion Water 78.355300 1.777849 0.000000 9.454823 0.000000 7.178058 4.622292 0.000000 10.185114 4.537013 4.692295 0.000000 6.466155 5.440170 2.250454 4.128071 0.000000 8.065616 2.351798 3.826020 5.985423 5.194354 0.000000 6.823746 3.510305 3.625843 6.588394 4.879540 1.354597 0.000000 10.185001 2.446794 3.780018 3.186493 4.778688 3.656035 4.654749 0.000000 9.920636 1.468105 4.431811 3.184107 4.991471 3.456953 4.496092 1.507442 0.000000 8.177827 1.353314 3.808192 4.906429 4.689160 1.357693 2.239999 3.003088 2.376181 0.000000 9.560171 3.464953 2.759226 2.862665 3.729139 4.083386 4.747241 1.407029 2.563710 3.550124 0.000000 6.027954 3.547652 3.402219 5.978242 4.024172 2.146528 1.342975 4.699997 4.322991 2.207049 4.650579 0.000000 6.978571 2.497477 3.540363 4.854415 3.862214 2.213269 2.273520 3.797144 3.119548 1.382011 3.948827 1.413207 0.000000 11.286208 3.071353 4.706180 4.330990 6.030681 4.132134 5.279527 1.401656 2.487163 3.803750 2.423917 5.627272 4.865113 0.000000 4.559175 4.961609 3.850756 6.771073 3.995419 3.555576 2.451419 5.954237 5.613087 3.645945 5.671011 1.469229 2.586603 6.961628 0.000000 10.161926 4.616773 3.006457 3.859682 4.340478 4.861951 5.445988 2.419541 3.829383 4.645026 1.403876 5.553398 5.104143 2.769702 6.487571 0.000000 8.530509 3.908590 2.343066 2.350684 2.402432 4.420687 4.763483 2.541623 3.035020 3.697594 1.490661 4.267599 3.548622 3.811479 5.003562 2.489532 0.000000 11.787618 4.331439 4.854647 5.049060 6.421439 4.902108 5.911379 2.433527 3.784114 4.839814 2.813611 6.386761 5.836097 1.389630 7.632345 2.410557 4.303357 0.000000 9.262378 2.925828 4.690071 6.804743 6.376121 1.453738 2.446513 3.979396 4.034628 2.521552 4.602005 3.537930 3.632653 3.943968 4.865535 5.109788 5.319258 4.530528 0.000000 11.258934 4.973076 4.116285 4.849371 5.689662 5.227531 5.985943 2.804643 4.309458 5.195024 2.435383 6.352563 5.936176 2.405599 7.417352 1.389924 3.781160 1.396313 5.083327 0.000000 4.024920 6.025995 4.591223 8.068447 5.001740 4.222310 2.900270 7.015621 6.800390 4.676442 6.701471 2.503255 3.835534 7.886399 1.403358 7.337050 6.146923 8.423800 5.296751 8.168669 0.000000 4.024586 5.543934 4.192064 6.501768 3.533037 4.622807 3.712227 6.374468 5.938628 4.358855 5.959622 2.492443 3.049795 7.552245 1.402735 6.861265 4.976237 8.271880 6.022254 7.960874 2.409637 0.000000 2.733471 7.328172 5.468523 8.969473 5.528327 5.605068 4.286881 8.227576 8.019120 5.986313 7.786512 3.782101 5.015543 9.159819 2.433571 8.374866 7.071587 9.654277 6.677601 9.286931 1.390731 2.788958 0.000000 2.732423 6.935524 5.138168 7.582621 4.238377 5.915829 4.877917 7.686133 7.298864 5.741059 7.155654 3.776065 4.440549 8.873512 2.434387 7.960775 6.076472 9.523074 7.271513 9.105668 2.790030 1.391701 2.426007 0.000000 7.228799 4.576661 1.344801 3.656926 1.227066 4.369470 4.281075 3.672113 4.096667 3.918963 2.580968 3.679327 3.415794 4.859580 4.061645 3.196329 1.472354 5.210292 5.415186 4.513421 5.076683 3.990069 5.859380 4.943447 0.000000 8.932952 4.410646 3.564158 1.337296 2.791498 5.373378 5.743201 3.217256 3.311785 4.399549 2.492973 5.038853 4.094938 4.528534 5.672823 3.518411 1.351415 5.164541 6.350466 4.748250 6.934799 5.358023 7.765213 6.388171 2.399111 0.000000 1.768079 7.703050 5.690973 8.739082 5.184253 6.308439 5.089649 8.505174 8.218341 6.415740 7.969731 4.259982 5.241393 9.584460 2.791104 8.639655 7.024772 10.136662 7.534730 9.697746 2.397327 2.396522 1.391692 1.390420 5.786086 7.511165 0.000000 6.183097 5.742342 1.446497 5.997320 2.661514 4.473883 3.841938 5.184929 5.754738 4.714179 4.199117 3.630575 4.235520 6.039228 3.578195 4.279042 3.685385 6.091773 5.340228 5.285871 3.940010 3.940326 4.571716 4.574651 2.378787 4.774288 4.844131 0.000000 10.689351 5.555360 5.920826 1.447602 4.920651 7.153620 7.706199 4.534905 4.250234 5.965625 4.307832 6.942785 5.753277 5.635145 7.605157 5.272724 3.633441 6.403869 8.052331 6.243323 8.955796 7.119278 9.753564 8.089111 4.746665 2.361442 9.352078 7.125436 0.000000 10.902294 2.026973 5.490181 3.500011 5.974861 4.281840 5.416846 2.152465 1.088811 3.231619 3.366208 5.287743 4.039115 2.690253 6.594345 4.519555 3.932452 4.049166 4.657205 4.798035 7.786063 6.892937 9.015055 8.251768 5.111574 3.983589 9.203097 6.833032 4.356265 0.000000 9.338181 2.086889 4.281412 2.570601 4.347081 3.844234 4.636207 2.180423 1.087328 2.589230 2.730187 4.143206 2.819809 3.412646 5.256138 4.121295 2.629698 4.602614 4.718660 4.883529 6.553333 5.337817 7.666814 6.651731 3.653257 2.584052 7.692061 5.559931 3.490151 1.771065 0.000000 6.981741 2.932595 3.931423 4.373418 3.638951 3.255768 3.315736 4.064876 3.198476 2.201631 4.147888 2.251819 1.076455 5.285903 3.005340 5.418134 3.453341 6.324903 4.637354 6.378841 4.378931 2.965732 5.379080 4.300324 3.425145 3.642677 5.329649 4.669816 5.057849 4.029886 2.552244 0.000000 11.869998 2.987224 5.606740 4.941093 6.882237 4.318444 5.595598 2.146376 2.648417 3.977710 3.401563 6.009402 5.182589 1.084946 7.421075 3.854633 4.683952 2.146933 3.947350 3.390415 8.341574 8.064506 9.664001 9.425759 5.745137 5.275553 10.133799 6.908979 6.118534 2.494506 3.700346 5.612555 0.000000 9.899754 5.489741 2.843819 4.188234 4.018289 5.512850 5.877370 3.398318 4.706336 5.341711 2.148261 5.890321 5.581863 3.853636 6.616038 1.083937 2.665533 3.392796 5.867796 2.145960 7.398978 6.881171 8.302830 7.844202 3.023833 3.654735 8.490172 3.922439 5.513683 5.454588 4.820510 5.837472 4.938563 0.000000 12.708769 5.054683 5.827515 6.030202 7.483535 5.574118 6.628701 3.413117 4.636216 5.638169 3.897606 7.237729 6.736039 2.149466 8.516121 3.395806 5.387330 1.084011 4.947801 2.158055 9.231761 9.236869 10.487693 10.494143 6.267140 6.226612 11.050018 6.990833 7.338653 4.746131 5.537519 7.278910 2.474530 4.292078 0.000000 9.550968 3.465214 5.675322 7.684414 7.264796 2.104152 2.879121 4.910978 4.755914 3.121614 5.637521 3.996274 4.167387 4.814943 5.248150 6.190294 6.304511 5.454321 1.092059 6.113462 5.546462 6.463700 6.911038 7.672422 6.375359 7.266039 7.847877 6.216563 8.864464 5.251335 5.431534 5.161114 4.627302 6.959595 5.758833 0.000000 10.096647 2.538699 4.910332 6.348525 6.567462 2.075321 3.309542 3.332503 3.471032 2.650330 4.188938 4.203814 3.960428 3.048734 5.615396 4.689793 5.127201 3.716932 1.087942 4.495631 6.205739 6.644511 7.588427 7.954918 5.509494 6.090195 8.349210 5.792912 7.605755 3.935825 4.335123 4.842149 2.913561 5.581385 4.071865 1.781144 0.000000 9.215887 3.821518 4.491439 7.234075 6.424430 2.080723 2.642002 4.373282 4.738346 3.287792 4.747085 3.870443 4.228054 4.246765 5.036472 4.977774 5.510094 4.508983 1.089368 4.871138 5.267067 6.258604 6.594680 7.417268 5.441713 6.679911 7.543879 4.972564 8.558053 5.436625 5.398916 5.264226 4.423046 5.622494 4.868529 1.782527 1.776655 0.000000 11.823418 6.017979 4.705916 5.730372 6.339874 6.080164 6.748309 3.888799 5.393541 6.177697 3.413322 7.185008 6.891442 3.391752 8.171237 2.146715 4.636065 2.157301 5.829157 1.084194 8.814305 8.736633 9.879143 9.811763 5.214421 5.604423 10.324208 5.702334 7.087542 5.861454 5.952147 7.363439 4.291313 2.468891 2.492491 6.840206 5.291913 5.456902 0.000000 4.870702 6.004552 4.824094 8.508220 5.657642 3.929222 2.586181 7.051546 6.917401 4.674850 6.839739 2.721981 4.127861 7.753729 2.156728 7.378557 6.512900 8.224853 4.765249 8.048214 1.082487 3.394747 2.137263 3.872481 5.528058 7.431642 3.375486 4.201743 9.502048 7.878960 6.838629 4.869941 8.152545 7.510823 8.939630 4.913059 5.762333 4.629265 8.649213 0.000000 4.865918 5.117516 4.115963 5.624567 3.092159 4.671038 4.038637 5.866369 5.321428 4.098923 5.475664 2.711356 2.727639 7.136499 2.160668 6.504510 4.374222 7.943295 6.117852 7.662828 3.397715 1.082850 3.871588 2.133607 3.593141 4.539016 3.371853 4.190682 6.131644 6.226170 4.585209 2.291596 7.642313 6.565105 8.947857 6.625507 6.582928 6.469767 8.501159 4.300362 0.000000 2.872658 8.176381 6.237722 9.974440 6.463792 6.288901 4.938298 9.079417 8.933790 6.826432 8.637690 4.654030 5.960401 9.928877 3.414733 9.128395 8.001563 10.348018 7.215779 9.968703 2.152571 3.871684 1.082732 3.405825 6.759461 8.762043 2.154152 5.215183 10.797965 9.930487 8.646478 6.400140 10.423889 9.030395 11.128139 7.371162 8.188458 7.029553 10.493201 2.465416 4.954280 0.000000 2.872087 7.544167 5.713752 7.665850 4.405834 6.773335 5.828544 8.192744 7.761146 6.441317 7.605840 4.644451 5.087622 9.454086 3.415158 8.441907 6.386694 10.126763 8.168575 9.663596 3.872619 2.153363 3.406170 1.082603 5.301691 6.495483 2.153315 5.214663 7.995575 8.673880 6.998807 4.738638 10.027611 8.266922 11.135454 8.602275 8.781650 8.355011 10.375939 4.955058 2.459190 4.298693 0.000000 8.385508 5.121892 3.918697 2.069276 2.472786 5.936372 6.109338 4.240436 4.160647 4.947046 3.485963 5.211379 4.348554 5.583377 5.586312 4.441453 2.127509 6.221702 7.055299 5.736349 6.859389 5.011615 7.528041 5.883001 2.595449 1.086123 7.087587 4.896470 2.484304 4.832514 3.273237 3.713162 6.307625 4.404751 7.291013 7.929093 6.910963 7.384555 6.542591 7.495278 4.122090 8.551193 5.829936 0.000000 5.168436 5.761176 2.096061 6.257183 2.610679 4.410999 3.548441 5.615721 5.916631 4.597941 4.763207 3.081528 3.855006 6.582074 2.675499 5.096644 4.051808 6.821140 5.466773 6.145399 3.032462 2.949779 3.575039 3.507374 2.667393 4.983503 3.770616 1.088703 7.267141 7.004230 5.604156 4.228405 7.365637 4.834032 7.743621 6.226581 6.037620 5.224051 6.658713 3.493926 3.354007 4.309215 4.204814 4.940585 0.000000 6.365551 6.647933 2.087956 6.247300 2.726118 5.533593 4.931160 5.821083 6.490515 5.693784 4.662431 4.646787 5.167670 6.680369 4.447907 4.556169 4.036512 6.603637 6.368535 5.617961 4.758623 4.571409 5.157360 4.986740 2.704596 5.004999 5.251833 1.091259 7.302405 7.548025 6.227870 5.466600 7.624070 3.949630 7.503581 7.273457 6.757893 5.959155 5.900129 5.099436 4.769850 5.746131 5.466943 5.019027 1.786761 0.000000 6.583918 5.910887 2.025159 6.716523 3.712922 4.332360 3.674440 5.413557 6.085143 4.870837 4.553698 3.838072 4.618122 6.053498 3.900415 4.451858 4.366216 5.975553 4.957322 5.216973 3.982346 4.567731 4.695293 5.206766 3.244731 5.576650 5.247350 1.087497 7.936795 7.145847 6.068889 5.247053 6.884183 4.174170 6.762967 5.799119 5.487611 4.399078 5.531228 3.964344 4.954842 5.169397 5.970038 5.829084 1.786526 1.788905 0.000000 10.697543 6.457745 6.122183 2.091907 4.874377 7.859980 8.292308 5.275648 5.167198 6.732803 4.792766 7.474193 6.396798 6.384029 7.983040 5.584089 3.953017 6.997833 8.802308 6.641095 9.297453 7.378051 9.981726 8.212022 4.882468 2.654589 9.479398 7.219766 1.092089 5.370605 4.386409 5.681826 6.974092 5.619540 7.949363 9.662349 8.407519 9.221073 7.382986 9.907660 6.403221 11.017455 8.017524 2.485021 7.384087 7.235780 8.099262 0.000000 10.216983 5.379734 6.108224 2.089781 4.941418 6.999254 7.489681 4.853020 4.245849 5.732155 4.755091 6.610809 5.375109 6.041007 7.208978 5.887383 3.941913 6.965333 8.008225 6.895761 8.594583 6.634010 9.357844 7.584739 4.899766 2.672294 8.895558 7.239749 1.091916 4.356504 3.331043 4.544442 6.428957 6.171591 7.917247 8.734426 7.641827 8.602478 7.808078 9.195084 5.593712 10.425130 7.444715 2.550277 7.220436 7.499498 8.080827 1.794422 0.000000 11.730728 5.868915 6.721511 2.035618 5.925913 7.686723 8.379904 4.780497 4.497173 6.488984 4.763449 7.712207 6.458198 5.684774 8.488962 5.655081 4.383613 6.453587 8.452729 6.437478 9.843647 8.082042 10.705742 9.102019 5.633360 3.238690 10.357153 7.999334 1.087745 4.347554 3.916100 5.814959 6.048783 5.999342 7.289817 9.237889 7.885529 8.998939 7.264303 10.330649 7.097550 11.745805 9.034966 3.535410 8.199204 8.201541 8.746549 1.786780 1.786711 0.000000 C22H21ClN2O4 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 0 391.6993999999997 AuxInfo=1/0/N:8;9;10;11;12;13;14;15;16;17;18;19;20;21;22;23;24;25;26;27;28;29;1;6;7;2;3;4;5;30;31;32;33;34;35;36;37;38;39;40;41;42;43;44;45;46;47;48;49;50/rA:50nCl0O0O0O0O0N0N0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:6.7492,.8882,.293;-2.1051,-1.487,-2.0207;-.2474,.3363,1.799;-3.1842,2.7812,-.9241;.4687,2.2866,.9341;-.4779,-2.5527,-.6988;.8114,-2.4206,-.3047;-3.3476,-.3307,-.2583;-2.8977,-.2945,-1.6966;-.8672,-1.5085,-1.4744;-2.792,.4872,.7428;1.2262,-1.2534,-.8234;.2006,-.637,-1.5754;-4.3266,-1.2716,.0893;2.5835,-.7486,-.5754;-3.2421,.3392,2.0643;-1.7564,1.5194,.4525;-4.758,-1.4144,1.4025;-1.262,-3.7191,-.3273;-4.2109,-.6005,2.3965;3.5549,-1.5481,.0465;2.9281,.5645,-.9283;4.828,-1.0561,.3135;4.1986,1.0704,-.6699;-.4171,1.4468,1.0597;-1.9977,2.5886,-.338;5.135,.2523,-.0478;1.0129,.2015,2.4961;-3.2821,3.9373,-1.7898;-3.7489,-.3544,-2.3729;-2.3124,.5881,-1.9431;.2184,.3002,-2.1046;-4.7468,-1.9004,-.6886;-2.8182,.972,2.8354;-5.5167,-2.148,1.65;-.9834,-4.5813,-.9369;-2.3153,-3.4917,-.4773;-1.0869,-3.9431,.7243;-4.5415,-.6948,3.4247;3.3148,-2.5654,.3281;2.1968,1.213,-1.3945;5.5687,-1.6822,.7948;4.4502,2.0876,-.9419;-1.2299,3.3333,-.5266;1.8467,.2442,1.7974;1.1102,.9897,3.2445;.9709,-.7735,2.976;-3.0717,4.8482,-1.2253;-2.5874,3.8367,-2.6261;-4.3069,3.9516,-2.1543; 0.2684963 0.0957757 0.0858257 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= 772 RedAO= T EigKep= 1.29D-06 NBF= 772 NBsUse= 765 1.00D-06 EigRej= 9.26D-07 NBFU= 765 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= 786 783 783 786 786 MxSgAt= 50 MxSgA2= 50. 1 Closed 1 1 1 -1721.98608264070 -1721.98608264 1 1.715635229276e+03 -9.959336341654e+03 3.560659541049e+03 Using DIIS extrapolation, IDIIS= 1040. NGot= 1415577600 LenX= 1414279281 LenY= 1413636879 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= 50. Will process 51 centers per pass. Symmetrizing basis deriv contribution to polar: IMax=3 JMax=2 DiffMx= 0.00D+00 Minotr: Closed shell wavefunction. IDoAtm=11111111111111111111111111111111111111111111111111 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. 15503 words used for storage of precomputed grid. Two-electron integrals replicated using symmetry. MDV= 1415577600 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= 770000000 NMat= 150 IRICut= 375 DoRegI=T DoRafI=T ISym2E= 2 IDoP0=3 IntGTp=3. There are 153 degrees of freedom in the 1st order CPHF. IDoFFX=6 NUNeed= 3. 150 vectors produced by pass 0 Test12= 7.10D-14 1.00D-09 XBig12= 3.98D+02 1.04D+01. AX will form 150 AO Fock derivatives at one time. 150 vectors produced by pass 1 Test12= 7.10D-14 1.00D-09 XBig12= 5.90D+01 8.60D-01. 150 vectors produced by pass 2 Test12= 7.10D-14 1.00D-09 XBig12= 5.32D-01 6.24D-02. 150 vectors produced by pass 3 Test12= 7.10D-14 1.00D-09 XBig12= 2.66D-03 3.53D-03. 150 vectors produced by pass 4 Test12= 7.10D-14 1.00D-09 XBig12= 6.32D-06 2.35D-04. 137 vectors produced by pass 5 Test12= 7.10D-14 1.00D-09 XBig12= 1.55D-08 1.22D-05. 61 vectors produced by pass 6 Test12= 7.10D-14 1.00D-09 XBig12= 2.47D-11 4.05D-07. 3 vectors produced by pass 7 Test12= 7.10D-14 1.00D-09 XBig12= 3.16D-14 1.57D-08. InvSVY: IOpt=1 It= 1 EMax= 1.78D-14 Solved reduced A of dimension 951 with 153 vectors. FullF1: Do perturbations 1 to 3. Isotropic polarizability for W= 0.000000 447.12 Bohr**3. End of Minotr F.D. properties file 721 does not exist. 519.855 67.269 442.545 46.475 -50.489 378.952 521.986 70.409 468.737 49.914 -54.044 401.936 (Enter /usr/local/gaussian/gaussian16/g16/l716.exe) PT176351.400S Wed Oct 9 07:02:05 2024 -101.55828 -19.17774 -19.17234 -19.16356 -19.11428 -14.39279 -14.33070 -10.31172 -10.26298 -10.25117 -10.23998 -10.22947 -10.22063 -10.21502 -10.20511 -10.20105 -10.19656 -10.19539 -10.18902 -10.18873 -10.18762 -10.18750 -10.18402 -10.18325 -10.17763 -10.17751 -10.17697 -10.17642 -10.16378 -9.47284 -7.23722 -7.22782 -7.22746 -1.11189 -1.09024 -1.08792 -1.04222 -1.02163 -0.89736 -0.87362 -0.86135 -0.83350 -0.81835 -0.79435 -0.76896 -0.76123 -0.75447 -0.74995 -0.73871 -0.70359 -0.69722 -0.68771 -0.63219 -0.62536 -0.62288 -0.61219 -0.59756 -0.58686 -0.56327 -0.55904 -0.54576 -0.53970 -0.51956 -0.50331 -0.49857 -0.49786 -0.48892 -0.48762 -0.48244 -0.47657 -0.47220 -0.46756 -0.46527 -0.45460 -0.44820 -0.44522 -0.43519 -0.43210 -0.43022 -0.42249 -0.41872 -0.41052 -0.40790 -0.40398 -0.40012 -0.39390 -0.37996 -0.37520 -0.37236 -0.36835 -0.36278 -0.36136 -0.35983 -0.35067 -0.34615 -0.34256 -0.32448 -0.32092 -0.31404 -0.29952 -0.29723 -0.28382 -0.27100 -0.26807 -0.26120 -0.24337 -0.23610 -0.22491 -0.04965 -0.04339 -0.02942 -0.02587 -0.02107 0.00272 0.00749 0.00973 0.01536 0.01740 0.02075 0.02641 0.02907 0.03408 0.03433 0.03960 0.04276 0.04460 0.04623 0.05132 0.05484 0.05819 0.06075 0.06233 0.06714 0.06786 0.06994 0.07408 0.07487 0.07952 0.08158 0.08755 0.08904 0.09319 0.09509 0.09614 0.09873 0.10132 0.10375 0.10706 0.10951 0.11286 0.11848 0.12085 0.12349 0.12737 0.12862 0.13048 0.13292 0.13533 0.13800 0.14117 0.14374 0.14557 0.14775 0.15086 0.15175 0.15777 0.15984 0.16199 0.16419 0.16462 0.16596 0.16767 0.17060 0.17525 0.17907 0.18302 0.18401 0.18483 0.18804 0.19264 0.19522 0.19683 0.19875 0.20184 0.20342 0.20477 0.20771 0.20885 0.21193 0.21520 0.21575 0.21735 0.21807 0.22084 0.22346 0.22457 0.22576 0.22853 0.22988 0.23125 0.23391 0.23604 0.23863 0.24418 0.24490 0.24723 0.24919 0.25186 0.25393 0.25542 0.25878 0.25989 0.26292 0.26485 0.26919 0.27013 0.27155 0.27523 0.27720 0.27940 0.28291 0.28516 0.28621 0.29220 0.29390 0.29689 0.29933 0.30254 0.30626 0.30753 0.30933 0.31438 0.31898 0.32201 0.32339 0.32842 0.33051 0.33536 0.33759 0.34094 0.34193 0.34580 0.35000 0.35396 0.36017 0.36187 0.36327 0.36683 0.37101 0.37614 0.37770 0.37923 0.38391 0.38530 0.39230 0.40121 0.40260 0.40737 0.41013 0.41547 0.42254 0.42365 0.43041 0.43395 0.44045 0.44448 0.44721 0.45376 0.45544 0.46206 0.46335 0.46908 0.47625 0.48390 0.48885 0.49077 0.49775 0.50091 0.50500 0.50879 0.51632 0.51808 0.52911 0.53123 0.53487 0.54362 0.54526 0.55453 0.55775 0.56190 0.56357 0.57254 0.57483 0.57630 0.58169 0.58796 0.58967 0.59369 0.59906 0.60100 0.60610 0.61688 0.61942 0.62476 0.62874 0.63373 0.64124 0.64243 0.65239 0.65621 0.66305 0.66889 0.66970 0.67352 0.67974 0.68151 0.68652 0.69184 0.69339 0.69799 0.70052 0.70629 0.70771 0.71249 0.71772 0.72203 0.72511 0.72640 0.73164 0.73500 0.74469 0.74515 0.74791 0.75076 0.75328 0.75565 0.76096 0.76390 0.77061 0.77550 0.77893 0.78249 0.79277 0.79752 0.79783 0.80385 0.80562 0.81233 0.82680 0.83039 0.83360 0.84087 0.84636 0.84935 0.85369 0.86164 0.86267 0.86694 0.87006 0.87550 0.87928 0.88052 0.89051 0.89426 0.89807 0.90646 0.91059 0.91725 0.91929 0.93072 0.93452 0.93660 0.94763 0.95358 0.95729 0.96483 0.97324 0.98573 0.98618 0.99002 0.99738 1.00257 1.00812 1.01279 1.02292 1.02576 1.03449 1.04466 1.04699 1.05900 1.06622 1.07055 1.07509 1.07898 1.08106 1.08758 1.09195 1.09373 1.09994 1.10936 1.11060 1.11899 1.12546 1.13532 1.13921 1.15687 1.16342 1.16735 1.17471 1.17815 1.18358 1.19200 1.19560 1.21163 1.21921 1.22552 1.24403 1.25269 1.26276 1.27344 1.28549 1.29173 1.29574 1.30112 1.31067 1.31641 1.32650 1.33058 1.33612 1.34800 1.35224 1.36402 1.38357 1.39543 1.40286 1.42217 1.42517 1.42755 1.44417 1.44449 1.44760 1.46462 1.47543 1.48580 1.49471 1.50496 1.50883 1.51441 1.51653 1.52108 1.53147 1.53268 1.54179 1.55033 1.55836 1.56172 1.56581 1.57042 1.57470 1.57994 1.58174 1.58478 1.59825 1.60011 1.60773 1.61298 1.61532 1.62455 1.63238 1.63574 1.63727 1.64790 1.65937 1.66819 1.67334 1.68014 1.68445 1.68753 1.69195 1.69767 1.70533 1.71162 1.71753 1.72269 1.73089 1.73864 1.74280 1.75000 1.75268 1.76072 1.76415 1.76779 1.77770 1.78518 1.79205 1.80192 1.81046 1.81914 1.82732 1.83741 1.84427 1.84642 1.86842 1.87456 1.88176 1.88444 1.88876 1.89924 1.90483 1.91339 1.91412 1.92142 1.92915 1.93595 1.93724 1.94863 1.95689 1.96180 1.96535 1.96852 1.97234 1.97698 1.98319 1.98906 1.99145 1.99393 2.01236 2.01900 2.02335 2.04029 2.04897 2.07005 2.07373 2.08111 2.08402 2.08803 2.09152 2.10521 2.11777 2.12180 2.13294 2.13795 2.14476 2.15693 2.15921 2.17125 2.18509 2.19133 2.20723 2.21672 2.22488 2.24109 2.24412 2.25891 2.27504 2.29087 2.29512 2.32659 2.33189 2.34814 2.35539 2.37714 2.39273 2.40168 2.40548 2.42537 2.43004 2.43276 2.43698 2.44594 2.45526 2.47085 2.47919 2.48323 2.49506 2.50389 2.51330 2.52746 2.53351 2.53927 2.54461 2.55132 2.56080 2.57220 2.58584 2.59271 2.60762 2.61946 2.62242 2.62485 2.63680 2.64097 2.64553 2.65553 2.66821 2.67238 2.68564 2.69161 2.70617 2.71423 2.71532 2.72390 2.73407 2.73978 2.75590 2.75898 2.76281 2.76992 2.77253 2.77994 2.78574 2.79098 2.80289 2.80948 2.81604 2.82472 2.83605 2.83976 2.84692 2.85062 2.85375 2.85863 2.86579 2.86738 2.88135 2.88782 2.89929 2.90396 2.91616 2.91967 2.93436 2.93891 2.94498 2.95759 2.96974 2.97322 2.99437 3.01316 3.01951 3.02139 3.03465 3.04509 3.05263 3.07391 3.08282 3.09046 3.10043 3.10517 3.12246 3.14950 3.15910 3.16819 3.18129 3.18603 3.19043 3.19887 3.21111 3.22712 3.23928 3.25319 3.26090 3.28750 3.30037 3.31398 3.33994 3.36266 3.36576 3.37603 3.38446 3.40182 3.42118 3.44210 3.46671 3.47221 3.49630 3.51555 3.56283 3.58140 3.60232 3.61286 3.62394 3.67199 3.68165 3.73197 3.76328 3.78416 3.79375 3.80565 3.81382 3.81656 3.83962 3.84895 3.86979 3.88535 3.90528 3.91187 3.98192 4.00338 4.02977 4.03527 4.04963 4.06968 4.08164 4.08994 4.11494 4.15876 4.16438 4.16837 4.20176 4.23262 4.27390 4.33666 4.36085 4.42897 4.49644 4.71220 4.84050 4.85717 5.01606 5.04157 5.13608 5.14653 5.17785 5.24984 5.39735 5.40798 5.44250 5.45782 5.64697 5.79626 5.80946 5.91516 9.77912 23.61061 23.64656 23.76161 23.79871 23.86925 23.88281 23.92303 23.94324 23.95493 23.96254 23.96561 23.97475 23.99543 23.99964 24.04594 24.05455 24.10025 24.10110 24.16215 24.17372 24.18178 24.21420 25.83586 26.11652 26.59835 35.55772 35.63350 49.92227 49.95073 49.98969 50.05592 215.77123 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 50 Cl O O O O N N C C C 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 0.367789 -0.168584 0.025260 -0.101509 -0.367528 0.397352 -0.429931 0.421413 -0.555846 -0.270550 0.246713 0.449283 -0.091113 -0.055971 0.393970 -0.232554 0.273387 -0.362357 -0.279262 -0.347911 -0.628275 -0.751847 -0.617294 -0.557511 -0.302217 -0.284075 0.566993 -0.291029 -0.255832 0.206515 0.185980 0.167364 0.155632 0.160171 0.165427 0.192830 0.192683 0.190458 0.167073 0.168404 0.169441 0.182012 0.181138 0.193172 0.214215 0.188256 0.189070 0.177288 0.180852 0.181054 -0.00000 Mulliken charges with hydrogens summed into heavy atoms: 1 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 Cl O O O O N N C C C C C C C C C C C C C C C C C C C C C C 0.367789 -0.168584 0.025260 -0.101509 -0.367528 0.397352 -0.429931 0.421413 -0.163351 -0.270550 0.246713 0.449283 0.076251 0.099660 0.393970 -0.072383 0.273387 -0.196930 0.296708 -0.180837 -0.459871 -0.582406 -0.435282 -0.376373 -0.302217 -0.090903 0.566993 0.300512 0.283362 -0.00000 -3.23592663e+00 7.18595959e-01 -6.95474177e-01 5.19855281e+02 6.72692092e+01 4.42545270e+02 4.64746213e+01 -5.04888131e+01 3.78951861e+02 -6.7644 -4.5945 -0.0008 0.0010 0.0014 1.8814 10.7369 18.7599 28.2381 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 99 100 101 102 103 104 105 106 107 108 109 110 111 112 113 114 115 116 117 118 119 120 121 122 123 124 125 126 127 128 129 130 131 132 133 134 135 136 137 138 139 140 141 142 143 144 A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A 9.8170 18.6732 28.2018 34.1839 41.4882 58.3822 59.8547 68.3802 75.5347 83.2608 91.5431 106.5436 118.8187 128.1233 141.8106 149.8737 167.5708 180.5254 181.6199 199.5646 231.4301 251.9996 276.8486 279.4306 304.8347 310.0470 318.8521 321.7312 357.3370 378.2092 381.9197 407.2890 411.3833 414.4949 436.6979 482.3210 489.5309 519.7012 525.3391 574.3604 579.7497 605.4443 627.5327 630.4785 643.9162 688.9735 701.9225 723.9466 726.6417 732.7257 758.1528 774.5653 778.9137 788.2471 799.6628 801.3260 834.3680 837.7167 852.2189 893.4232 918.0718 938.6158 955.5128 968.3219 974.2098 977.8164 989.0037 994.8671 1001.1932 1008.4249 1023.0619 1051.7240 1058.3329 1070.2480 1092.6001 1103.7674 1116.3655 1141.3214 1141.9881 1144.2832 1167.7140 1171.3624 1182.1796 1185.7421 1196.8610 1206.7764 1206.9507 1220.2291 1221.5517 1259.9326 1280.0494 1289.3473 1296.3633 1309.4194 1310.5689 1328.7169 1338.2660 1382.2416 1399.3227 1405.0488 1434.4548 1453.5306 1466.3716 1466.4382 1468.5205 1469.6219 1470.4229 1474.7303 1478.1010 1480.0075 1481.3343 1482.6140 1496.4627 1518.4031 1520.5024 1534.4279 1562.6813 1605.1977 1607.0721 1608.7072 1631.5859 1638.3917 1683.8027 3041.6168 3053.7038 3058.8118 3101.5402 3120.9775 3127.9489 3143.0467 3157.5054 3161.7104 3163.8443 3164.8136 3168.8562 3170.1630 3172.2051 3182.5972 3192.1563 3192.9923 3193.5980 3205.4981 3207.1126 3268.2468 5.5201 6.3552 3.7704 3.8156 4.5924 5.5037 4.3833 2.7905 2.0478 2.5992 3.3589 4.1188 2.4616 2.7850 3.8992 4.7533 1.8376 1.6593 2.6615 3.3576 4.9086 7.7251 6.2739 5.1144 3.5624 4.5583 4.1736 4.1638 5.7055 4.6601 3.6700 5.4157 5.1098 2.9709 4.6521 3.5127 8.0781 3.8477 3.5535 4.4102 4.3915 4.8461 6.0093 5.5996 6.6802 5.4980 2.8552 5.4776 3.3405 3.0461 3.6414 7.2318 1.9544 2.0013 3.3826 4.0128 1.2646 4.1294 1.7582 1.5471 5.9630 7.3723 1.5584 1.3393 5.7282 1.4820 1.3626 8.4039 1.9567 1.3197 4.1041 2.0493 4.1517 2.6261 3.1928 1.8618 4.9834 1.4497 1.7153 1.3336 1.2744 1.2597 1.1082 3.5524 1.6315 1.3597 1.3981 2.0044 2.2223 2.3670 1.4298 4.5679 4.3491 2.6101 8.5619 1.3735 1.9716 3.5418 1.4518 1.4803 2.4720 1.6488 1.6302 1.6322 1.2211 1.4019 1.0463 1.4126 1.0538 1.3977 1.0850 1.0674 1.1366 2.3385 2.5257 3.2611 5.2767 6.3518 6.8994 6.3284 5.5869 5.7858 7.6632 1.0307 1.0370 1.0315 1.0592 1.1093 1.1017 1.1042 1.1088 1.1050 1.1036 1.0884 1.1079 1.0931 1.0891 1.0934 1.0891 1.0982 1.0888 1.0950 1.0958 1.0989 0.0003 0.0013 0.0018 0.0026 0.0047 0.0111 0.0093 0.0077 0.0069 0.0106 0.0166 0.0275 0.0205 0.0269 0.0462 0.0629 0.0304 0.0319 0.0517 0.0788 0.1549 0.2890 0.2833 0.2353 0.1950 0.2582 0.2500 0.2539 0.4292 0.3927 0.3154 0.5293 0.5095 0.3007 0.5227 0.4815 1.1406 0.6123 0.5778 0.8572 0.8697 1.0466 1.3943 1.3114 1.6319 1.5377 0.8288 1.6914 1.0392 0.9635 1.2332 2.5563 0.6986 0.7326 1.2744 1.5182 0.5187 1.7074 0.7524 0.7276 2.9612 3.8267 0.8383 0.7399 3.2031 0.8349 0.7852 4.9007 1.1556 0.7907 2.5309 1.3356 2.7398 1.7723 2.2457 1.3364 3.6592 1.1126 1.3180 1.0288 1.0238 1.0184 0.9125 2.9427 1.3770 1.1667 1.1999 1.7584 1.9538 2.2138 1.3804 4.4741 4.3063 2.6367 8.6644 1.4287 2.0805 3.9870 1.6750 1.7218 2.9969 2.0525 2.0653 2.0679 1.5515 1.7839 1.3329 1.8101 1.3565 1.8038 1.4028 1.3824 1.4996 3.1766 3.4404 4.5238 7.5919 9.6428 10.4987 9.6494 8.7628 9.1506 12.8010 5.6179 5.6975 5.6860 6.0032 6.3660 6.3507 6.4268 6.5130 6.5081 6.5086 6.4228 6.5550 6.4726 6.4570 6.5250 6.5383 6.5966 6.5428 6.6294 6.6405 6.9157 0.5355 0.3821 0.5272 1.8158 3.1440 0.4248 4.1762 0.8874 0.5345 1.2586 1.5735 1.6195 0.4916 0.9863 1.8978 9.6781 1.4456 0.6603 8.4773 2.2469 5.2837 2.4023 3.5124 10.6970 32.9230 6.7023 25.0278 2.5137 3.1222 13.1906 1.4298 9.0779 6.4248 0.3759 5.6036 15.7939 51.5074 11.8828 26.3314 10.3286 20.0624 27.6230 7.7759 28.3402 10.4293 18.3061 1.8711 21.1848 29.4047 3.4308 25.6921 59.8589 35.9446 107.0409 28.7196 32.2201 2.2678 10.6130 70.9905 11.7490 3.1579 234.4030 10.3047 0.2403 11.7271 1.4134 0.2314 82.7197 1.0143 0.4663 49.8688 11.0842 30.4824 44.8743 50.7511 27.9811 1452.4833 13.9352 134.1539 20.5848 1.3568 0.6875 3.0339 114.3956 6.1764 76.5026 121.8962 20.2048 32.3200 410.6307 62.3181 27.0747 60.8341 58.7720 9.7126 4.5719 3.0499 138.6161 49.8311 13.2808 41.0199 47.9692 34.6053 28.2808 40.9485 19.7885 20.1245 18.1949 16.2609 39.8718 15.1270 19.8950 20.9471 100.8184 2.3305 295.9300 217.7610 272.5531 7.4490 489.0521 1.2641 13.3317 582.9264 76.5562 64.8369 39.2274 39.2206 29.8642 17.2157 17.5623 12.7418 13.3170 2.2669 4.9730 12.0616 3.2617 4.9789 27.6353 5.1291 20.5054 0.7338 4.5714 0.3811 2.5676 0.02 0.07 -0.10 0.01 -0.04 0.06 -0.08 -0.11 0.06 0.11 0.01 -0.04 0.02 -0.12 0.11 0.04 -0.01 0.04 0.04 0.00 0.02 -0.04 0.01 -0.00 0.01 -0.02 0.01 0.01 -0.01 0.05 -0.05 0.01 0.00 0.02 0.01 0.02 -0.00 0.00 0.04 -0.09 0.05 -0.03 0.01 0.03 -0.00 -0.10 0.04 -0.01 0.00 -0.04 0.03 -0.14 0.09 -0.04 0.06 -0.03 0.04 -0.15 0.08 -0.03 0.05 0.02 -0.07 -0.03 0.05 0.04 0.06 0.04 -0.10 -0.02 0.07 0.01 -0.02 -0.09 0.07 0.08 -0.04 0.01 0.02 0.06 -0.06 -0.10 -0.18 0.08 0.21 -0.01 -0.08 0.03 -0.03 -0.02 0.02 -0.03 0.01 -0.02 0.01 0.04 -0.09 0.06 -0.03 -0.11 0.04 -0.00 -0.18 0.12 -0.06 0.00 0.00 -0.03 0.05 -0.01 0.13 0.14 -0.08 0.01 -0.19 0.11 -0.04 0.09 0.01 -0.11 -0.06 0.06 0.10 0.09 0.03 -0.16 -0.05 0.08 0.05 0.12 -0.07 0.02 -0.09 -0.23 0.08 -0.06 -0.17 0.07 -0.16 -0.17 0.08 0.25 -0.00 -0.11 0.23 -0.08 -0.06 0.22 0.04 -0.11 0.14 -0.10 -0.12 0.08 0.02 -0.02 -0.08 0.03 0.03 -0.11 0.01 0.04 -0.08 0.01 -0.01 0.02 0.07 0.10 0.01 0.08 0.12 -0.01 -0.02 -0.05 0.04 0.01 -0.03 0.06 0.04 0.03 -0.06 -0.02 -0.03 0.05 0.04 0.06 0.07 0.01 0.01 -0.00 -0.04 -0.09 0.06 0.01 0.04 -0.10 -0.04 -0.04 -0.08 0.01 0.01 -0.04 -0.07 -0.11 -0.01 0.12 0.17 -0.09 -0.06 -0.08 0.06 -0.02 -0.01 0.07 0.01 0.05 0.09 -0.05 -0.05 0.10 -0.02 0.01 -0.08 0.02 0.00 -0.10 0.02 0.03 0.10 -0.05 -0.05 -0.08 0.03 0.02 -0.15 0.05 0.10 0.07 -0.00 -0.07 0.04 0.02 0.00 0.11 -0.02 -0.06 0.04 -0.05 -0.11 -0.14 -0.04 -0.02 -0.04 -0.08 -0.14 0.07 0.04 0.33 0.00 0.09 0.02 -0.14 0.27 0.23 -0.12 -0.08 -0.09 0.05 -0.02 -0.02 0.07 0.04 0.09 0.09 -0.08 -0.09 0.11 -0.02 0.01 -0.12 0.05 0.06 -0.09 -0.01 0.00 -0.05 0.06 -0.02 -0.09 0.05 0.06 -0.19 0.03 0.14 -0.14 0.12 0.10 -0.15 0.03 0.09 -0.04 0.05 0.01 -0.01 0.01 -0.06 0.04 -0.07 -0.00 0.06 -0.01 0.02 0.06 -0.08 -0.01 -0.06 0.06 0.06 -0.07 0.07 0.08 0.00 -0.01 -0.03 -0.01 0.01 -0.04 -0.02 0.01 -0.04 0.04 -0.04 -0.02 -0.03 0.02 -0.02 0.01 -0.03 -0.09 -0.01 0.00 -0.04 -0.02 0.01 -0.02 0.06 -0.07 -0.02 0.05 -0.05 -0.01 0.01 -0.02 -0.04 -0.11 0.14 0.20 0.04 -0.06 -0.02 -0.05 0.05 0.05 -0.01 -0.01 -0.09 -0.05 0.05 0.06 -0.01 -0.00 -0.08 0.05 -0.07 -0.01 0.06 -0.04 0.01 -0.03 0.03 -0.00 0.03 -0.07 0.01 0.07 0.01 0.05 -0.02 0.01 -0.03 -0.01 0.01 -0.03 0.04 -0.08 -0.18 -0.04 0.03 -0.05 0.08 -0.10 -0.01 -0.00 -0.01 -0.04 0.02 0.00 0.46 -0.08 0.09 -0.04 -0.30 0.39 0.29 0.06 -0.08 -0.02 -0.06 0.06 0.11 0.01 -0.03 -0.15 -0.07 0.08 0.12 0.00 -0.02 -0.13 0.07 -0.04 0.02 0.04 -0.05 0.02 0.02 -0.08 0.02 0.03 -0.08 -0.01 0.09 -0.00 0.07 0.07 0.02 0.04 0.07 0.03 0.05 0.01 0.03 -0.01 0.01 -0.02 0.03 -0.03 -0.02 0.00 -0.02 0.04 0.05 0.04 -0.09 -0.09 0.04 -0.03 -0.01 0.04 -0.03 -0.02 -0.01 0.00 -0.00 0.01 -0.02 0.01 0.02 -0.02 0.02 -0.02 0.01 -0.00 0.03 -0.01 0.00 0.01 -0.01 0.03 -0.04 0.02 -0.01 0.02 -0.01 0.00 -0.05 0.04 -0.01 -0.01 -0.01 -0.01 -0.07 0.05 -0.01 0.06 -0.07 -0.07 -0.08 0.06 -0.02 -0.02 0.06 0.16 0.07 -0.06 -0.15 -0.03 0.07 0.16 0.07 -0.05 -0.16 0.00 -0.04 -0.04 -0.01 0.01 0.02 0.02 0.01 -0.00 -0.02 -0.04 -0.02 -0.06 0.10 0.15 0.02 -0.02 -0.01 0.02 -0.02 0.01 -0.01 0.01 0.06 -0.03 0.02 -0.00 -0.06 0.05 -0.01 -0.09 0.07 -0.02 -0.03 0.00 -0.21 0.05 -0.03 0.09 0.19 -0.20 -0.11 -0.10 0.09 -0.02 -0.06 0.10 0.29 0.11 -0.11 -0.28 -0.06 0.12 0.28 0.10 -0.09 -0.29 -0.01 0.01 0.02 -0.03 -0.07 -0.03 0.01 -0.04 -0.03 -0.03 -0.04 -0.01 -0.08 0.06 0.22 -0.06 0.19 0.13 -0.06 0.10 0.15 -0.05 0.06 0.10 0.00 -0.07 0.03 0.01 -0.01 -0.06 -0.02 0.03 0.03 0.05 -0.05 -0.12 0.02 -0.04 0.03 0.03 -0.03 0.01 0.00 -0.01 -0.01 0.02 -0.05 -0.00 0.01 -0.06 0.01 0.01 0.01 -0.03 0.03 -0.06 -0.04 0.02 -0.07 -0.05 -0.02 0.02 0.01 0.03 -0.05 -0.06 -0.01 0.07 -0.03 0.02 -0.00 -0.05 -0.04 0.07 0.01 0.01 -0.00 0.12 -0.03 0.10 -0.01 0.08 -0.07 -0.17 -0.03 0.00 0.06 0.06 -0.05 -0.13 -0.05 0.03 0.11 0.03 -0.03 -0.08 -0.00 0.02 -0.02 -0.01 0.01 0.02 0.02 -0.02 -0.06 -0.10 0.13 0.18 0.02 -0.05 -0.01 0.03 -0.06 -0.02 0.03 -0.10 -0.08 -0.02 0.01 0.03 -0.01 0.09 -0.04 -0.05 0.10 0.03 0.01 -0.05 0.19 0.01 -0.01 0.08 -0.01 0.08 0.14 -0.05 0.14 -0.01 0.12 -0.12 -0.28 -0.07 0.02 0.15 0.09 -0.07 -0.21 -0.10 0.07 0.22 -0.01 0.02 -0.02 0.01 -0.09 -0.07 0.05 0.01 -0.10 -0.02 0.00 -0.01 -0.16 0.07 0.30 -0.09 0.29 0.16 -0.10 0.11 0.18 0.04 -0.05 0.14 -0.01 0.06 0.03 -0.04 -0.02 0.03 -0.07 -0.03 0.05 0.03 -0.12 -0.15 0.03 0.09 -0.02 0.04 0.09 -0.07 -0.05 -0.01 0.07 -0.07 0.01 0.06 0.00 0.09 -0.01 -0.05 -0.00 0.06 0.03 0.08 -0.09 0.01 0.08 -0.05 -0.05 -0.01 0.08 0.05 0.05 -0.11 -0.05 0.01 0.06 -0.04 -0.02 0.03 -0.04 0.00 0.08 0.03 0.11 0.03 -0.05 0.02 0.07 0.02 0.01 -0.09 0.10 0.04 -0.10 0.01 -0.02 -0.03 0.10 0.01 -0.04 -0.02 -0.06 -0.04 -0.04 -0.04 0.00 0.05 -0.02 0.01 -0.01 -0.06 -0.05 -0.02 -0.17 -0.15 -0.08 -0.02 0.07 -0.11 0.04 0.05 -0.00 0.08 -0.06 -0.05 -0.01 0.08 -0.05 0.02 0.05 -0.04 0.00 0.09 -0.03 0.10 0.01 0.03 0.13 0.11 0.10 0.10 0.02 -0.05 0.03 0.07 -0.02 0.02 -0.11 0.13 0.06 -0.12 -0.02 -0.04 -0.01 0.14 0.00 -0.01 -0.03 -0.07 -0.06 -0.05 -0.17 -0.11 0.10 -0.01 -0.12 -0.05 -0.02 0.03 0.14 -0.09 -0.34 -0.11 -0.41 -0.20 -0.05 -0.12 -0.05 -0.01 0.03 0.04 0.01 -0.01 0.03 0.01 -0.07 -0.14 -0.03 0.04 0.01 -0.11 0.14 0.22 0.02 -0.03 -0.00 0.03 -0.04 -0.03 0.02 0.01 0.02 0.04 0.01 0.03 0.02 -0.03 -0.00 -0.03 0.04 0.02 0.04 -0.05 -0.05 0.03 -0.05 -0.04 0.03 -0.01 0.02 0.04 -0.05 -0.06 -0.06 0.05 0.01 -0.04 0.06 0.04 0.01 0.00 0.01 0.00 0.01 0.08 -0.04 0.04 0.01 0.03 -0.02 -0.01 0.04 -0.06 -0.10 0.02 -0.00 0.01 0.03 -0.04 -0.08 -0.05 0.06 0.06 -0.04 0.06 0.04 0.02 -0.01 -0.01 0.01 -0.13 -0.17 -0.00 -0.01 -0.06 0.05 0.04 0.02 0.07 -0.00 0.05 0.03 -0.05 -0.05 0.07 -0.03 0.02 -0.09 0.08 0.01 0.02 -0.01 0.01 0.09 -0.07 0.24 0.02 -0.03 -0.08 -0.12 0.17 0.14 -0.06 0.05 0.00 0.03 -0.02 0.02 0.05 -0.08 -0.14 0.01 0.02 0.06 0.03 -0.05 -0.10 -0.04 0.07 0.05 0.02 0.17 -0.14 -0.09 -0.34 0.07 0.12 -0.28 -0.45 0.01 0.02 -0.11 -0.01 -0.07 -0.05 -0.00 -0.01 -0.06 -0.00 -0.00 -0.01 0.00 0.01 -0.02 -0.10 0.01 0.03 0.02 0.09 -0.03 0.01 -0.07 -0.05 0.01 -0.02 -0.05 0.00 -0.01 -0.03 0.03 -0.03 0.03 -0.00 -0.01 0.02 0.00 -0.01 -0.02 -0.04 0.04 0.00 -0.00 0.00 -0.00 -0.01 0.01 0.00 0.12 -0.11 0.07 -0.01 0.00 0.00 -0.05 0.07 0.00 -0.04 0.04 -0.01 0.13 -0.10 0.07 0.01 -0.01 -0.01 0.03 0.00 0.04 -0.01 0.00 0.01 -0.01 0.00 0.00 -0.01 0.00 0.01 -0.00 0.00 -0.00 -0.04 -0.01 -0.01 0.00 0.04 -0.02 -0.01 0.00 0.00 -0.11 -0.04 0.03 0.08 0.11 -0.02 -0.02 -0.01 0.04 -0.02 0.00 0.02 -0.01 0.02 0.02 0.18 -0.19 0.09 -0.11 0.14 -0.02 0.20 -0.17 0.10 0.29 -0.12 0.27 0.04 -0.15 -0.40 -0.30 0.24 0.09 0.03 0.02 0.04 -0.01 0.00 0.01 -0.00 0.00 -0.00 -0.01 0.00 0.01 -0.00 -0.00 -0.01 0.03 0.01 -0.01 -0.11 -0.15 0.02 -0.04 0.01 -0.02 -0.18 -0.00 0.10 0.10 0.09 0.00 0.09 0.10 -0.00 0.09 0.15 -0.04 0.02 -0.03 0.00 -0.00 -0.02 0.00 -0.02 -0.05 -0.09 0.01 0.02 -0.05 -0.02 -0.01 0.01 -0.02 0.05 0.06 -0.02 0.06 0.05 -0.02 -0.02 -0.00 -0.04 -0.04 -0.01 -0.01 0.02 0.01 -0.01 0.00 -0.03 -0.01 0.04 0.02 -0.01 0.02 -0.01 0.02 -0.05 0.04 -0.01 0.03 0.02 0.02 0.01 -0.01 -0.01 -0.00 -0.04 0.06 -0.05 0.05 -0.01 0.03 0.01 0.06 -0.02 0.03 -0.01 0.02 0.01 0.00 0.03 0.03 -0.01 0.00 0.01 0.01 0.02 0.02 -0.02 -0.02 -0.04 0.00 0.00 -0.04 0.00 0.00 0.01 -0.04 -0.07 -0.06 0.02 0.08 0.01 -0.05 -0.08 0.00 -0.07 -0.02 -0.04 -0.00 0.00 -0.03 0.02 -0.07 0.06 0.03 0.03 -0.03 0.10 -0.07 0.08 -0.33 0.16 -0.33 -0.04 0.18 0.47 0.37 -0.28 -0.12 0.10 -0.02 0.04 -0.02 0.02 0.00 0.01 0.04 0.03 -0.01 -0.01 -0.00 0.02 0.02 0.03 0.02 -0.01 -0.03 -0.01 0.03 -0.02 -0.10 -0.15 0.03 -0.01 -0.13 -0.16 -0.01 0.05 0.08 0.06 0.14 0.03 0.04 0.08 -0.02 -0.04 0.05 0.03 0.00 0.01 0.00 -0.04 0.07 0.10 0.00 0.05 0.02 -0.00 0.00 -0.01 -0.02 0.00 0.04 -0.01 -0.03 0.02 0.02 0.02 -0.00 0.05 0.04 0.01 0.01 -0.02 -0.00 -0.02 0.02 0.02 0.02 -0.06 -0.03 0.03 -0.06 -0.05 0.05 -0.02 -0.03 0.02 -0.07 -0.05 -0.03 -0.02 0.01 -0.03 0.04 0.04 0.04 -0.07 -0.04 -0.06 0.02 0.03 -0.00 -0.06 -0.02 0.04 -0.05 -0.05 0.01 -0.07 -0.07 0.02 -0.02 -0.04 -0.01 -0.04 -0.06 -0.02 0.03 0.04 -0.01 0.04 0.04 -0.00 -0.01 -0.04 -0.02 0.06 0.05 0.06 0.02 -0.03 0.06 0.09 -0.01 0.09 0.02 0.04 0.06 -0.08 -0.08 0.09 -0.03 -0.05 -0.07 -0.02 0.03 0.07 -0.10 -0.07 -0.38 0.12 -0.26 -0.08 0.19 0.44 0.28 -0.23 -0.08 -0.01 -0.10 -0.03 0.05 -0.05 -0.04 0.00 -0.09 -0.08 0.03 0.00 -0.02 -0.02 -0.04 -0.07 -0.00 0.03 0.06 -0.05 -0.12 -0.00 0.10 0.16 -0.07 -0.08 0.14 0.20 0.11 0.03 -0.07 0.06 -0.05 -0.02 0.06 0.06 -0.03 -0.01 0.05 -0.06 0.02 0.04 -0.01 0.01 -0.04 -0.08 -0.07 0.09 0.15 0.06 -0.07 -0.10 -0.03 -0.01 0.02 -0.03 -0.03 0.05 0.03 0.03 -0.01 0.04 0.05 -0.00 0.01 0.00 0.02 0.01 0.03 0.00 -0.00 -0.04 0.07 0.03 -0.02 0.05 0.05 0.01 -0.03 -0.01 -0.03 0.08 -0.01 0.02 -0.00 0.01 0.03 0.01 0.04 -0.01 -0.03 -0.06 -0.01 -0.03 0.01 -0.00 -0.02 0.02 -0.02 0.06 -0.04 -0.02 0.09 0.02 0.01 0.03 -0.05 0.00 0.07 0.03 -0.03 -0.06 -0.02 0.05 0.04 -0.01 0.01 0.03 0.01 -0.09 -0.08 -0.03 -0.08 -0.08 0.05 0.08 -0.02 0.07 0.05 0.02 0.05 -0.02 0.05 0.07 0.01 -0.04 -0.02 0.02 0.00 0.05 -0.03 -0.05 -0.09 0.02 -0.08 -0.05 0.03 0.00 -0.04 -0.07 -0.05 0.00 -0.02 -0.03 0.05 -0.02 0.05 -0.06 -0.03 0.12 0.04 0.02 0.00 -0.08 0.01 0.07 -0.02 0.04 -0.01 0.02 0.00 -0.06 -0.02 -0.16 0.00 0.02 -0.14 -0.18 0.34 0.00 -0.35 -0.29 -0.44 -0.24 -0.13 0.08 0.20 -0.00 -0.01 -0.03 0.03 0.01 -0.12 -0.02 -0.02 0.04 -0.00 -0.11 0.02 0.05 -0.02 0.10 -0.02 0.03 -0.04 -0.04 0.03 0.01 0.10 -0.05 0.02 0.05 -0.01 0.00 0.03 -0.01 -0.11 0.04 0.02 -0.00 0.00 -0.01 -0.04 0.05 -0.04 -0.12 0.12 -0.05 0.05 -0.01 0.00 0.00 -0.05 0.15 -0.02 0.06 0.00 -0.00 0.04 0.05 0.04 -0.07 0.06 -0.03 -0.06 0.17 -0.00 -0.02 0.01 0.02 -0.01 0.01 0.01 -0.02 0.01 0.03 -0.02 0.01 0.02 0.04 -0.01 0.05 0.03 -0.01 -0.01 -0.02 0.01 0.01 -0.06 -0.06 0.11 -0.17 -0.12 0.03 0.01 0.03 0.04 0.04 -0.00 0.01 0.08 -0.06 -0.17 0.17 -0.12 0.08 -0.11 0.23 -0.05 0.05 0.05 0.06 -0.23 0.08 -0.14 -0.07 0.16 0.14 0.07 -0.04 -0.08 -0.15 0.27 -0.02 -0.02 0.01 0.02 -0.01 0.01 0.01 -0.02 0.01 0.03 -0.02 0.01 0.02 -0.01 0.03 -0.04 -0.02 -0.14 0.14 -0.04 -0.04 0.08 -0.13 -0.04 0.14 -0.32 -0.09 0.04 -0.14 -0.00 0.04 -0.16 -0.28 0.01 0.01 -0.05 0.00 -0.00 -0.07 -0.04 0.05 0.00 -0.00 -0.01 0.08 0.09 -0.04 0.05 0.03 0.02 -0.01 -0.01 0.01 0.04 0.00 0.02 -0.07 -0.00 -0.01 -0.08 -0.01 0.00 -0.05 -0.05 0.00 -0.04 -0.02 -0.01 0.03 -0.04 -0.01 -0.03 -0.08 0.01 -0.06 0.01 -0.02 0.05 -0.02 -0.04 0.02 -0.03 0.01 -0.04 -0.01 -0.03 0.00 0.01 0.05 -0.02 0.03 -0.06 0.05 -0.02 -0.04 0.03 -0.01 -0.01 0.05 -0.00 -0.04 0.01 0.01 -0.00 0.03 0.01 0.00 0.00 0.00 0.00 -0.00 0.03 -0.02 0.01 0.01 0.05 0.10 0.03 0.08 0.04 0.02 -0.02 -0.09 0.01 -0.02 -0.07 -0.02 -0.02 -0.05 -0.11 0.02 -0.09 0.03 -0.06 0.05 -0.04 -0.05 0.02 0.01 0.02 -0.01 0.00 0.04 -0.03 0.09 0.12 -0.03 0.01 -0.10 0.10 -0.02 -0.06 0.04 -0.01 0.00 0.06 -0.01 -0.05 0.00 0.01 0.02 0.02 0.02 0.02 -0.02 0.05 0.06 0.11 0.04 -0.01 0.14 -0.00 0.09 0.12 0.07 0.55 0.02 -0.13 -0.21 -0.26 -0.18 -0.03 0.34 0.35 0.00 0.01 -0.03 0.02 0.03 -0.04 0.06 0.02 0.02 0.03 -0.02 -0.03 -0.01 -0.01 -0.10 -0.02 0.01 -0.02 -0.02 0.00 0.01 0.02 -0.05 0.05 0.01 0.00 0.04 0.01 0.01 -0.03 -0.04 -0.02 0.06 0.00 -0.01 0.00 0.03 -0.00 -0.02 0.03 -0.07 0.02 -0.00 -0.01 0.03 -0.11 0.01 0.03 -0.04 -0.02 0.06 -0.05 -0.03 0.00 -0.05 0.03 -0.03 -0.13 0.02 0.00 0.00 -0.00 0.03 -0.02 0.00 0.05 -0.00 0.01 0.03 -0.02 0.01 0.05 -0.00 -0.01 -0.00 -0.01 -0.03 0.04 -0.01 0.01 0.03 0.15 0.05 -0.12 0.11 0.01 0.00 0.00 0.03 0.05 0.00 0.02 0.08 0.05 -0.01 -0.03 0.08 -0.10 0.02 -0.17 0.05 0.04 -0.05 -0.04 -0.02 -0.09 0.04 -0.05 -0.04 0.07 -0.01 -0.04 0.01 -0.04 -0.20 0.06 -0.01 0.01 -0.01 0.02 -0.02 0.00 0.06 0.01 0.01 0.02 -0.03 0.02 0.06 0.01 -0.05 0.05 0.08 0.23 -0.19 0.14 -0.05 -0.02 0.30 -0.03 -0.26 -0.20 0.01 0.12 0.38 0.17 0.21 0.22 -0.12 -0.31 0.02 0.09 -0.00 0.05 0.08 -0.07 0.02 -0.04 -0.05 0.00 -0.01 -0.04 -0.07 0.03 0.04 -0.04 0.04 -0.03 -0.04 -0.04 -0.00 -0.05 -0.07 0.02 -0.10 -0.04 0.00 0.03 0.08 -0.01 -0.01 -0.06 -0.01 0.04 -0.05 0.03 0.07 0.02 0.03 -0.08 -0.03 0.07 0.06 -0.09 0.04 0.02 -0.01 0.01 -0.01 -0.07 -0.06 -0.06 0.03 0.09 -0.13 0.08 -0.10 -0.00 0.04 0.06 0.09 -0.06 0.02 0.04 -0.09 0.01 0.09 -0.03 -0.00 0.03 -0.06 -0.02 -0.03 -0.03 -0.02 -0.00 -0.07 -0.05 0.06 -0.02 -0.01 -0.03 0.07 0.05 0.04 0.05 0.03 -0.11 -0.14 0.03 -0.22 0.04 -0.02 0.12 0.03 0.05 -0.12 -0.03 0.10 0.06 0.00 -0.02 -0.08 0.07 0.13 -0.12 0.07 -0.07 -0.10 0.14 -0.20 -0.24 0.07 -0.08 0.01 0.08 0.07 0.12 -0.07 0.04 0.03 -0.10 0.01 0.11 -0.01 -0.00 -0.00 -0.06 -0.03 0.02 -0.08 -0.05 0.02 0.01 0.09 -0.09 0.16 -0.04 -0.04 0.13 0.16 0.33 -0.02 0.03 -0.15 -0.05 -0.12 -0.03 0.26 0.25 -0.05 0.02 0.08 0.02 0.01 -0.03 0.03 -0.00 0.02 0.02 -0.03 0.01 0.02 -0.00 0.02 -0.07 0.08 0.16 -0.08 0.10 0.20 0.04 -0.02 -0.02 0.00 -0.01 -0.02 -0.03 0.03 0.07 0.01 0.00 -0.02 -0.06 0.07 0.14 -0.04 0.04 0.09 0.07 -0.06 -0.02 -0.03 0.02 0.02 -0.05 0.05 -0.04 0.03 -0.01 -0.00 0.03 -0.03 -0.03 0.05 -0.09 -0.15 -0.06 0.05 -0.04 -0.00 -0.02 -0.08 0.01 -0.01 -0.08 0.02 -0.05 -0.15 0.04 -0.04 -0.15 0.03 -0.01 0.01 0.03 -0.01 0.00 0.02 -0.04 -0.13 0.06 -0.01 -0.02 -0.01 -0.03 0.02 -0.01 -0.02 -0.01 -0.02 0.00 -0.04 -0.02 0.01 0.03 0.12 -0.10 -0.01 -0.10 0.09 -0.04 0.05 -0.05 -0.03 0.36 0.03 -0.18 0.05 -0.27 -0.37 -0.16 -0.19 -0.13 -0.11 0.09 -0.06 -0.01 -0.01 -0.07 0.01 -0.00 -0.06 0.03 -0.06 -0.17 0.05 -0.05 -0.17 0.02 -0.00 -0.00 0.04 0.13 -0.02 0.02 -0.09 0.08 0.13 -0.07 -0.14 0.03 -0.03 0.01 -0.06 -0.03 -0.02 -0.04 -0.01 0.08 -0.00 -0.00 -0.00 -0.01 0.01 0.02 -0.03 0.06 0.10 0.04 -0.08 -0.10 0.01 -0.01 -0.02 0.01 -0.01 -0.03 0.01 -0.02 -0.04 0.01 0.02 0.00 0.01 0.02 0.01 -0.01 0.01 0.01 -0.01 0.02 0.01 -0.00 0.00 -0.00 -0.01 0.02 0.04 0.02 -0.00 -0.01 -0.00 0.00 -0.00 -0.02 0.01 0.01 0.00 0.01 0.01 0.02 -0.02 -0.02 -0.02 0.02 0.03 -0.01 -0.01 -0.01 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.01 -0.01 0.02 0.04 0.03 -0.04 -0.06 -0.00 0.00 0.00 0.03 -0.04 -0.04 -0.04 0.02 0.05 0.01 0.04 0.00 0.02 0.01 0.00 -0.03 0.04 0.07 0.04 -0.01 -0.02 -0.04 0.01 0.01 0.03 -0.04 -0.02 -0.09 -0.00 0.04 -0.02 0.07 0.08 0.02 0.04 0.03 -0.02 -0.02 -0.01 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.01 0.00 0.01 0.03 -0.04 -0.07 -0.02 0.23 -0.09 0.02 -0.24 0.18 0.16 -0.17 -0.31 0.35 -0.07 0.05 -0.36 -0.04 -0.21 -0.17 0.26 0.42 0.01 0.01 0.00 0.01 -0.02 -0.03 -0.05 0.05 0.07 -0.02 0.04 0.03 0.01 -0.01 -0.04 -0.00 0.01 0.01 -0.01 0.01 0.02 -0.01 -0.02 -0.00 -0.01 -0.03 -0.01 0.01 -0.02 -0.04 0.02 -0.02 -0.01 0.01 -0.01 -0.02 0.03 -0.04 -0.07 -0.04 0.02 0.02 0.01 -0.01 -0.00 0.05 -0.02 0.00 -0.00 -0.00 -0.01 -0.02 0.04 0.03 0.01 -0.01 -0.03 0.04 -0.00 0.02 0.01 -0.01 -0.01 0.01 -0.01 0.00 0.01 -0.00 -0.01 0.01 -0.00 0.00 -0.01 0.01 0.00 -0.02 0.02 0.03 0.01 -0.00 -0.00 -0.06 0.00 0.07 0.02 0.00 -0.02 -0.02 -0.04 -0.00 -0.03 -0.02 -0.01 0.05 -0.07 -0.12 -0.08 0.04 0.02 0.09 -0.04 -0.01 -0.05 0.07 0.03 0.06 0.00 -0.03 0.01 -0.04 -0.07 -0.02 -0.03 -0.03 0.06 -0.00 0.03 0.02 -0.01 -0.01 0.01 -0.01 0.00 0.02 -0.01 -0.01 0.00 -0.00 0.01 -0.03 0.04 0.05 -0.02 0.50 0.13 -0.28 -0.31 0.43 0.13 -0.22 -0.38 -0.07 0.03 -0.03 0.10 -0.00 0.05 0.05 -0.04 -0.12 -0.01 0.00 0.02 0.00 0.00 0.01 0.05 -0.04 -0.05 -0.00 0.03 0.07 0.01 -0.01 -0.01 0.03 -0.06 -0.09 0.03 -0.06 -0.09 0.01 -0.01 -0.02 -0.01 -0.01 -0.02 -0.01 0.02 0.04 -0.00 -0.00 -0.03 -0.02 0.02 0.04 -0.06 0.09 0.15 0.04 -0.05 -0.02 -0.01 0.01 0.02 -0.04 0.03 -0.04 0.02 -0.02 -0.02 0.03 -0.03 -0.02 -0.05 0.06 0.09 -0.03 0.03 -0.04 -0.01 0.00 -0.02 0.00 0.00 -0.02 0.01 -0.02 -0.05 0.01 -0.01 -0.05 0.03 -0.03 -0.03 0.02 -0.00 0.01 0.01 -0.02 -0.05 -0.02 0.08 0.11 0.01 -0.03 -0.00 -0.02 -0.04 -0.01 -0.04 0.00 -0.04 -0.10 0.15 0.26 0.08 -0.08 -0.01 -0.07 0.06 -0.04 0.06 -0.06 -0.01 -0.25 -0.02 0.12 -0.05 0.18 0.24 0.08 0.11 0.08 -0.06 0.05 -0.04 -0.01 0.00 -0.01 0.00 0.00 -0.02 0.01 -0.02 -0.06 0.02 -0.02 -0.07 0.02 -0.01 -0.01 0.08 0.40 0.24 -0.31 -0.06 0.29 0.11 -0.03 -0.10 -0.15 0.02 -0.02 0.12 -0.00 0.09 0.05 -0.14 -0.14 0.00 0.01 0.01 0.03 -0.05 -0.06 -0.07 0.09 0.16 -0.02 0.05 0.07 0.00 0.02 0.04 0.01 -0.03 -0.05 0.00 -0.02 -0.02 -0.01 -0.07 -0.05 -0.08 -0.11 -0.08 -0.00 0.00 0.00 0.04 -0.05 -0.09 -0.02 0.02 0.05 -0.03 0.05 0.09 -0.03 -0.03 0.01 -0.00 0.00 0.03 0.07 0.00 -0.08 0.02 -0.01 -0.04 -0.00 0.04 0.03 -0.04 0.03 0.03 0.05 0.05 -0.01 0.00 -0.00 0.01 0.00 -0.00 0.01 0.01 -0.01 -0.01 0.01 -0.01 -0.01 -0.01 0.03 0.06 -0.01 0.05 0.06 0.01 -0.01 -0.01 0.08 -0.10 -0.14 0.00 -0.01 -0.02 -0.10 -0.24 -0.03 -0.18 -0.06 -0.15 -0.05 0.08 0.14 -0.07 -0.04 0.05 0.10 0.02 -0.11 -0.03 0.08 0.07 -0.14 -0.01 0.04 -0.04 0.10 0.08 0.00 0.06 0.02 0.07 0.11 -0.00 0.00 0.00 0.02 0.00 0.00 0.02 0.01 -0.01 -0.01 0.01 -0.01 -0.02 -0.05 0.11 0.14 -0.09 -0.30 -0.35 0.43 -0.07 -0.21 0.01 -0.06 -0.07 -0.11 0.04 -0.06 0.09 -0.03 0.06 0.04 -0.09 -0.13 -0.03 -0.03 0.05 0.07 -0.01 -0.09 -0.03 0.04 -0.08 -0.04 -0.03 -0.08 0.01 0.05 -0.07 0.04 -0.07 -0.10 -0.00 -0.00 0.04 0.14 -0.08 0.08 0.15 -0.00 0.07 0.06 -0.06 -0.07 0.09 -0.08 0.09 -0.03 0.04 0.11 0.00 0.01 0.05 0.03 0.01 0.03 -0.05 0.07 0.09 0.10 -0.11 0.10 -0.04 0.03 0.05 -0.10 0.10 -0.01 -0.05 0.02 0.01 -0.03 -0.01 0.04 -0.03 0.04 0.02 -0.03 0.05 0.01 -0.00 0.01 -0.10 0.01 0.01 -0.10 -0.00 0.07 -0.04 -0.09 0.00 0.03 0.00 -0.00 -0.12 -0.10 -0.08 -0.01 0.06 0.05 -0.01 0.13 0.15 0.08 0.21 -0.02 0.17 -0.00 0.03 0.09 0.01 0.05 0.01 0.13 -0.16 0.12 -0.25 0.23 -0.06 -0.20 -0.04 0.03 -0.04 0.13 0.10 0.02 0.06 0.01 -0.09 0.02 0.02 -0.05 0.05 0.04 -0.04 0.05 0.03 0.01 -0.00 -0.13 0.02 -0.00 -0.14 -0.10 0.03 0.07 -0.05 -0.24 0.04 -0.04 -0.05 -0.05 -0.26 -0.04 0.05 0.18 -0.02 0.05 0.02 0.02 -0.03 0.05 0.19 0.02 0.24 0.01 0.10 -0.14 -0.11 0.03 0.02 -0.02 0.00 0.02 0.01 0.01 0.01 -0.02 0.01 -0.11 -0.13 -0.04 -0.11 -0.09 0.03 -0.03 0.05 -0.00 -0.01 -0.00 -0.00 -0.09 -0.14 -0.05 -0.04 0.05 0.00 -0.08 -0.06 0.03 -0.09 -0.14 -0.05 -0.02 0.03 -0.01 -0.04 0.06 0.03 -0.04 0.03 0.00 -0.00 0.02 0.02 0.03 -0.03 -0.00 -0.26 -0.05 -0.07 0.01 -0.03 0.00 0.05 0.14 -0.01 0.03 0.07 0.01 0.08 0.15 -0.08 0.07 0.10 -0.06 -0.00 -0.01 0.01 0.03 0.01 -0.00 0.14 0.14 -0.07 0.03 0.02 -0.01 -0.02 -0.01 -0.00 -0.01 0.09 -0.01 0.09 -0.07 0.00 -0.08 -0.14 -0.06 -0.01 0.04 -0.02 -0.06 0.03 0.01 0.07 -0.08 -0.01 -0.32 -0.09 -0.04 -0.22 0.08 -0.17 -0.39 -0.06 -0.05 0.04 -0.08 0.01 0.12 0.13 0.04 0.04 0.09 0.02 0.07 0.12 -0.10 0.01 0.10 -0.10 0.04 -0.00 -0.03 0.02 0.02 -0.02 0.03 0.05 -0.04 0.06 0.03 0.02 -0.04 0.01 -0.01 -0.04 0.00 -0.02 -0.03 -0.04 0.02 0.03 0.17 -0.01 -0.12 -0.04 -0.08 0.02 -0.02 -0.02 0.02 -0.01 -0.02 0.02 -0.01 -0.01 -0.01 -0.03 -0.13 -0.08 0.10 -0.02 -0.01 0.04 0.01 -0.03 0.02 -0.01 -0.07 -0.06 -0.15 -0.03 0.04 0.02 -0.09 0.11 0.01 -0.10 0.01 -0.10 -0.01 0.04 0.00 -0.05 0.02 0.12 -0.03 0.01 0.02 -0.01 0.04 0.05 0.00 -0.01 0.00 0.14 -0.07 0.10 -0.00 -0.03 0.02 -0.05 -0.05 0.08 0.07 -0.02 0.12 0.05 -0.19 -0.01 0.14 -0.17 0.03 0.00 0.00 0.01 0.01 0.03 0.02 0.14 -0.19 -0.01 0.02 0.00 -0.01 -0.02 -0.00 -0.01 -0.06 0.10 0.02 0.03 -0.02 -0.00 -0.13 0.02 -0.10 -0.02 0.05 -0.01 -0.05 0.01 0.03 0.02 -0.04 -0.01 0.11 -0.10 0.13 0.09 -0.19 0.29 0.38 0.06 0.09 0.02 -0.06 0.02 -0.11 -0.03 0.09 0.12 0.05 0.14 0.00 -0.27 -0.04 0.20 -0.18 0.02 0.00 0.03 0.03 0.02 -0.03 -0.01 0.02 0.03 -0.04 0.01 0.02 0.03 -0.00 -0.00 -0.01 -0.05 0.01 -0.04 -0.03 -0.00 0.04 0.07 0.05 -0.03 -0.08 -0.03 0.05 0.05 0.13 -0.07 -0.01 -0.02 -0.00 0.08 0.16 -0.07 -0.07 0.05 0.07 -0.03 0.00 -0.05 0.05 -0.05 0.03 -0.08 -0.04 0.01 -0.10 0.04 0.08 0.09 -0.07 0.03 -0.03 -0.00 -0.07 -0.09 0.04 0.03 0.08 -0.09 -0.01 0.02 -0.04 -0.10 0.01 -0.08 0.00 0.05 0.02 0.01 -0.06 -0.04 -0.06 -0.03 -0.01 -0.01 -0.11 0.01 -0.06 0.02 -0.03 -0.06 0.05 -0.03 -0.04 -0.00 -0.01 0.07 0.03 -0.02 0.08 0.10 0.13 -0.04 -0.02 0.00 0.02 0.02 0.01 0.12 -0.09 -0.15 0.09 0.05 -0.00 0.02 -0.14 -0.10 0.08 -0.14 -0.03 -0.08 -0.12 0.05 0.04 0.15 -0.10 -0.04 -0.02 -0.11 0.04 -0.11 0.00 -0.09 0.05 0.03 -0.03 -0.04 -0.06 -0.06 -0.08 -0.05 -0.01 -0.23 0.10 -0.09 0.03 -0.04 -0.08 0.09 -0.02 -0.08 -0.04 -0.03 0.10 0.02 -0.01 0.11 -0.05 0.04 0.04 0.02 -0.29 0.20 -0.03 -0.23 0.16 -0.35 -0.18 0.02 0.08 -0.02 0.04 0.06 -0.02 0.03 0.05 0.05 -0.00 0.01 -0.00 -0.01 0.01 -0.03 -0.01 0.03 -0.08 -0.05 0.07 -0.07 -0.16 0.06 -0.10 -0.01 -0.01 0.01 0.02 0.00 -0.00 -0.00 0.00 -0.03 -0.02 -0.03 -0.05 -0.03 -0.01 0.01 0.02 0.01 -0.01 -0.04 0.00 -0.00 -0.01 -0.01 0.02 0.03 -0.00 -0.02 0.01 0.01 -0.01 -0.03 0.02 -0.01 -0.03 -0.04 0.09 0.09 -0.01 0.02 0.01 -0.01 0.01 -0.01 0.01 0.02 -0.00 0.01 -0.01 -0.03 0.01 -0.01 -0.03 -0.01 0.01 0.02 -0.01 0.01 0.02 -0.01 -0.02 0.04 -0.09 0.20 0.25 -0.01 0.01 0.04 0.02 0.06 0.02 -0.04 0.01 -0.05 -0.04 -0.10 -0.01 -0.07 -0.02 -0.05 -0.02 0.02 0.03 -0.02 -0.02 0.02 0.03 0.00 -0.05 -0.03 0.04 0.02 -0.00 0.01 -0.01 -0.01 0.01 -0.03 -0.04 -0.01 -0.01 0.02 0.05 0.00 0.01 -0.01 -0.04 0.02 -0.01 -0.04 -0.01 0.01 0.02 -0.01 0.01 0.03 -0.22 0.43 0.61 0.05 0.12 0.06 -0.10 0.11 -0.01 0.09 0.08 0.06 0.06 -0.03 -0.03 -0.17 0.04 -0.16 -0.10 0.05 0.11 0.07 0.01 -0.00 -0.03 0.10 -0.09 -0.08 -0.05 0.02 -0.10 -0.10 0.01 -0.10 -0.05 0.00 -0.08 -0.01 0.03 -0.05 -0.02 -0.02 0.05 0.00 -0.04 0.07 0.14 -0.03 -0.08 0.00 0.03 0.05 -0.05 -0.03 -0.04 -0.02 -0.01 -0.08 0.01 0.07 0.09 -0.01 -0.01 -0.00 -0.03 -0.07 0.11 0.03 -0.01 -0.02 -0.07 -0.04 0.07 0.10 -0.00 0.06 -0.10 0.09 0.05 0.12 -0.00 0.02 -0.01 -0.06 0.02 -0.03 -0.05 -0.00 0.03 0.03 -0.00 0.01 0.04 -0.08 -0.06 -0.01 -0.10 -0.07 0.03 0.01 0.04 0.08 -0.03 0.06 -0.05 0.12 -0.04 0.07 0.09 0.31 -0.06 0.17 0.11 0.10 -0.10 0.02 0.08 0.08 -0.05 0.03 0.16 0.05 -0.06 0.04 0.13 0.02 0.11 -0.06 0.06 0.02 -0.22 0.18 0.19 -0.08 0.07 -0.01 0.18 -0.02 0.05 -0.02 -0.07 0.04 -0.03 -0.08 -0.02 0.02 0.04 -0.03 0.02 0.04 -0.14 -0.02 0.07 -0.08 0.14 -0.10 -0.05 0.08 -0.07 0.09 0.07 -0.04 0.20 -0.10 0.14 0.19 -0.09 0.13 0.16 0.15 -0.04 0.01 0.04 -0.03 -0.02 -0.07 0.05 -0.06 -0.07 0.04 0.02 0.14 -0.01 0.01 -0.11 0.10 -0.00 0.01 0.02 -0.00 0.03 0.01 0.10 -0.06 0.05 0.09 -0.03 0.06 -0.02 -0.01 0.03 0.05 -0.03 0.04 -0.03 0.04 -0.01 -0.06 0.04 0.03 0.09 -0.06 0.01 0.00 0.01 -0.07 0.09 -0.11 0.05 -0.01 0.01 -0.04 -0.08 0.06 -0.04 -0.08 0.04 -0.05 -0.03 -0.00 -0.01 -0.02 -0.02 -0.06 0.05 0.01 -0.04 -0.03 -0.05 0.04 0.04 -0.03 0.06 -0.04 -0.06 0.01 0.05 0.00 -0.11 0.00 -0.03 0.09 0.02 0.11 -0.06 -0.12 0.08 -0.09 0.08 0.09 0.06 0.16 -0.07 0.09 -0.09 0.05 0.05 0.15 -0.08 -0.01 0.14 -0.18 0.09 -0.20 0.17 -0.09 -0.08 0.04 -0.06 -0.05 0.10 -0.13 -0.17 0.00 -0.04 -0.10 0.03 -0.03 -0.05 -0.02 -0.10 0.09 0.03 -0.08 -0.06 -0.08 0.05 0.07 -0.03 0.08 0.13 -0.10 -0.21 -0.05 0.22 -0.13 -0.03 0.13 -0.08 0.20 0.11 -0.05 -0.21 0.14 -0.16 -0.13 0.11 -0.11 -0.13 -0.07 -0.06 -0.04 0.04 -0.03 -0.02 -0.16 0.17 -0.02 -0.00 -0.01 -0.07 -0.11 0.03 -0.05 0.01 -0.03 0.06 0.02 0.00 0.05 0.04 0.01 0.00 0.04 -0.04 0.10 -0.05 -0.01 0.04 -0.02 0.01 -0.00 0.01 -0.03 0.01 0.05 -0.01 -0.00 0.03 -0.03 0.01 0.06 -0.03 -0.00 0.05 -0.01 0.00 0.08 -0.03 -0.01 -0.03 0.01 0.09 0.02 -0.01 -0.13 0.11 -0.12 0.06 0.04 -0.01 -0.05 -0.00 -0.01 0.04 0.04 0.01 -0.02 -0.08 0.02 0.06 -0.04 0.03 -0.03 -0.01 -0.01 -0.07 -0.04 0.06 0.01 -0.09 0.03 -0.02 0.00 -0.01 0.12 -0.06 0.08 0.15 0.03 -0.08 0.23 -0.13 -0.00 -0.02 0.03 -0.03 -0.01 0.05 -0.02 -0.00 0.12 -0.06 0.14 -0.02 0.01 -0.17 0.09 -0.11 -0.07 0.27 -0.29 -0.34 0.06 -0.10 0.09 0.01 -0.00 -0.11 0.01 -0.03 0.07 0.08 0.01 -0.06 -0.12 0.02 0.12 -0.05 0.05 -0.13 0.03 0.09 -0.03 -0.01 -0.02 -0.02 0.01 -0.02 -0.02 0.00 -0.00 0.20 -0.12 0.15 0.17 -0.11 0.13 0.15 0.11 0.00 0.01 0.00 -0.04 0.09 -0.05 -0.20 0.02 0.01 -0.03 0.04 -0.00 0.03 -0.01 0.04 -0.03 0.03 -0.07 -0.06 -0.03 0.05 0.13 0.02 0.00 0.01 0.06 -0.08 -0.02 0.04 -0.07 -0.07 -0.07 0.07 0.04 -0.05 0.06 0.13 -0.05 0.04 0.13 -0.11 0.13 0.01 0.02 -0.01 -0.11 -0.12 0.08 0.03 -0.02 0.04 0.07 0.01 -0.01 0.04 -0.03 -0.03 0.00 0.06 -0.10 0.07 0.03 -0.05 -0.18 0.07 -0.03 -0.16 -0.04 0.00 0.07 0.01 0.01 0.06 0.00 0.02 0.01 0.05 -0.02 -0.03 -0.07 0.05 0.23 -0.01 -0.02 0.03 0.00 -0.02 0.03 0.04 -0.06 0.00 0.04 -0.07 -0.02 -0.07 0.05 0.15 -0.21 0.21 -0.01 -0.19 0.14 0.02 0.04 -0.06 0.02 -0.11 -0.07 0.02 -0.02 0.04 0.04 0.00 0.00 0.00 0.18 -0.23 0.10 0.05 -0.09 -0.33 0.13 -0.05 -0.29 -0.06 -0.03 0.07 0.05 -0.01 0.04 0.10 -0.10 -0.14 0.02 -0.03 0.07 -0.04 -0.03 0.04 -0.05 -0.02 0.01 -0.01 -0.01 0.01 -0.01 -0.01 0.02 -0.00 -0.05 0.04 0.00 0.01 -0.01 0.00 0.03 0.01 0.18 -0.03 0.10 -0.17 0.08 -0.11 -0.01 0.00 0.01 0.00 -0.02 0.00 0.00 -0.00 0.01 -0.05 -0.03 -0.02 0.08 0.07 0.03 0.00 -0.02 0.00 -0.02 -0.04 -0.04 -0.01 0.00 0.01 -0.00 -0.01 0.01 -0.06 -0.02 0.00 -0.01 0.02 -0.02 -0.02 0.04 -0.03 -0.02 -0.05 -0.07 0.02 -0.02 0.04 -0.02 -0.01 -0.00 0.02 0.02 0.01 -0.02 0.01 -0.03 0.01 0.02 -0.01 -0.02 -0.02 0.01 0.02 -0.01 0.01 0.06 -0.06 0.03 -0.17 -0.02 -0.04 0.00 -0.02 0.02 0.18 -0.15 0.18 -0.05 0.14 -0.12 0.16 0.25 -0.09 0.21 0.03 0.21 -0.01 -0.01 0.01 -0.10 -0.02 0.02 -0.03 0.09 -0.07 0.06 -0.04 0.09 -0.03 -0.01 -0.00 -0.01 0.01 -0.01 -0.03 -0.02 -0.00 0.04 0.04 0.02 -0.04 0.01 -0.05 0.03 0.04 -0.02 -0.04 -0.03 0.01 0.05 -0.01 0.00 -0.19 0.02 0.01 0.22 -0.22 0.22 0.21 -0.18 0.21 0.04 -0.16 0.15 -0.02 0.11 -0.09 -0.01 0.10 -0.08 -0.03 0.21 -0.18 0.00 0.02 -0.01 0.00 0.06 0.03 -0.01 0.03 -0.00 0.19 0.03 0.03 -0.13 0.09 -0.09 -0.00 -0.02 0.01 0.01 -0.01 0.00 -0.08 -0.07 -0.01 0.10 0.10 0.07 0.00 -0.02 0.02 -0.02 -0.06 -0.07 -0.00 -0.00 -0.00 -0.00 -0.02 0.01 -0.08 -0.09 0.02 -0.02 0.04 -0.02 0.02 -0.01 -0.06 0.02 -0.09 -0.07 -0.03 -0.03 0.06 -0.02 -0.02 0.00 0.01 0.02 -0.00 -0.03 0.02 -0.02 0.01 0.04 -0.01 -0.02 -0.03 0.01 0.03 -0.01 0.01 -0.03 -0.01 -0.04 0.13 0.06 0.09 0.01 -0.03 0.02 -0.03 -0.04 0.00 -0.05 -0.05 0.00 0.23 0.38 -0.11 0.29 0.05 0.37 -0.01 -0.02 0.00 -0.09 -0.12 0.05 0.05 0.00 -0.09 -0.02 -0.02 0.13 -0.03 -0.02 -0.01 -0.02 0.01 -0.01 -0.04 -0.03 0.00 0.04 0.07 0.01 -0.07 0.02 -0.04 0.04 0.07 -0.00 -0.05 -0.06 0.01 0.07 -0.02 0.02 0.12 0.11 0.28 -0.03 -0.08 0.00 0.01 -0.05 0.01 -0.09 -0.04 -0.01 -0.14 0.03 -0.08 -0.14 0.02 -0.08 -0.10 -0.24 0.13 -0.01 0.05 -0.01 0.12 0.14 -0.11 -0.04 0.03 -0.03 -0.04 -0.03 -0.00 0.13 -0.03 0.08 -0.02 -0.06 0.12 0.07 -0.13 -0.03 -0.00 -0.02 0.02 -0.05 0.01 0.00 0.01 -0.03 0.12 0.02 -0.01 0.01 0.04 -0.09 -0.05 0.03 -0.11 0.03 -0.05 0.02 0.01 -0.05 0.16 -0.08 -0.05 0.02 -0.01 0.03 0.02 -0.01 -0.01 -0.04 0.02 -0.08 -0.09 0.03 -0.01 -0.03 0.01 -0.14 0.10 -0.06 0.02 0.19 0.03 -0.09 -0.09 0.03 0.12 -0.03 0.01 0.04 0.04 -0.01 -0.03 -0.00 -0.02 0.06 -0.13 -0.02 -0.04 0.05 -0.05 0.03 -0.01 0.01 -0.07 -0.13 0.04 -0.19 0.10 -0.03 0.04 -0.14 -0.02 -0.10 0.07 -0.01 -0.10 0.05 -0.00 0.00 -0.05 0.02 -0.09 -0.05 -0.02 -0.06 -0.02 -0.02 -0.16 -0.17 0.03 0.01 -0.04 0.01 -0.29 0.13 -0.08 0.09 0.32 0.11 -0.21 -0.18 0.09 0.26 -0.05 0.07 -0.04 0.01 -0.05 -0.05 0.08 -0.07 -0.04 0.06 -0.05 0.01 0.05 -0.05 0.05 -0.03 0.04 0.05 -0.02 0.04 0.04 0.06 -0.02 0.00 -0.02 -0.00 -0.05 0.01 0.07 -0.08 0.07 -0.04 -0.06 -0.03 -0.01 0.25 -0.04 0.16 0.02 -0.01 -0.07 -0.03 0.05 0.04 -0.07 -0.07 0.04 0.06 0.06 0.12 0.01 -0.00 -0.06 0.05 -0.07 -0.04 -0.02 0.04 0.05 -0.00 0.03 -0.01 -0.15 -0.04 0.01 0.01 -0.04 0.03 -0.07 0.03 -0.07 0.10 -0.04 -0.13 -0.03 -0.12 0.05 0.03 0.02 -0.01 -0.01 -0.03 -0.03 0.04 -0.03 0.01 0.01 -0.06 -0.04 0.03 0.02 -0.02 -0.04 0.01 0.01 0.10 0.06 -0.06 -0.05 0.02 0.01 -0.03 0.05 0.04 -0.07 0.10 -0.10 0.04 -0.00 0.01 0.15 0.32 -0.03 0.24 0.01 0.36 -0.00 0.04 0.01 -0.21 0.04 -0.01 -0.16 0.10 -0.08 0.03 -0.16 0.12 0.00 -0.01 0.02 0.02 0.01 0.03 0.07 0.06 -0.01 0.02 0.02 -0.01 0.08 -0.04 0.00 0.01 -0.11 -0.11 0.07 0.03 -0.07 -0.07 0.02 -0.00 -0.13 0.14 0.11 -0.10 0.15 -0.14 -0.05 0.09 -0.09 -0.00 0.09 -0.12 0.07 -0.03 0.04 0.07 -0.04 0.04 0.06 0.08 -0.04 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 0.00 -0.01 -0.01 0.01 0.03 0.01 -0.01 -0.02 0.01 -0.01 -0.00 0.01 -0.01 -0.00 -0.00 -0.00 0.01 -0.00 0.00 0.00 0.00 -0.01 -0.02 -0.01 -0.00 0.01 -0.01 0.01 -0.00 -0.00 0.01 -0.01 -0.01 0.01 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 -0.08 0.08 0.19 0.06 -0.05 -0.18 0.06 -0.07 -0.18 -0.06 0.06 0.19 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.01 -0.01 -0.01 0.00 -0.01 0.01 -0.00 0.00 -0.00 0.01 -0.01 0.00 0.01 -0.01 -0.00 -0.03 0.01 0.02 -0.02 0.02 -0.00 -0.02 0.02 -0.00 -0.00 0.01 -0.00 0.00 0.01 -0.01 -0.01 -0.00 -0.01 -0.03 -0.02 0.00 0.02 -0.02 0.01 -0.17 0.16 0.42 0.14 -0.12 -0.40 0.12 -0.15 -0.38 -0.13 0.14 0.41 0.01 -0.01 -0.01 0.01 -0.01 0.01 0.00 -0.00 0.00 -0.01 -0.00 0.01 -0.01 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.05 -0.01 -0.03 -0.03 0.09 0.11 0.00 0.00 0.00 -0.01 -0.02 -0.00 0.00 -0.00 0.00 0.08 -0.13 -0.13 -0.00 0.01 0.15 -0.13 0.12 -0.03 -0.15 0.09 -0.03 0.05 -0.05 -0.06 -0.02 0.03 -0.02 0.01 0.01 0.13 0.08 -0.10 -0.04 0.09 -0.09 0.02 0.01 0.08 0.04 0.10 -0.09 0.01 0.00 0.01 -0.00 0.00 -0.01 -0.01 -0.02 -0.04 -0.01 -0.08 0.09 -0.04 0.01 0.02 -0.05 0.07 0.04 -0.10 0.02 -0.03 -0.02 0.05 0.02 0.03 0.00 0.00 0.00 -0.01 0.01 0.00 -0.03 0.01 0.13 0.01 -0.00 0.00 0.01 -0.01 0.01 -0.14 -0.13 -0.02 -0.26 0.13 -0.15 0.12 -0.10 -0.06 0.26 -0.24 0.05 0.25 -0.24 0.05 0.04 -0.04 0.00 -0.14 -0.12 0.05 -0.00 0.06 0.03 0.01 0.03 0.00 -0.17 0.17 -0.05 -0.01 -0.00 -0.16 0.14 0.01 -0.25 0.05 -0.09 -0.14 0.13 -0.01 -0.00 -0.02 0.02 0.00 0.01 -0.01 0.00 0.01 -0.00 0.00 0.00 -0.00 0.00 0.02 -0.02 0.02 0.02 -0.01 0.02 0.02 0.02 -0.00 -0.01 -0.00 -0.01 -0.03 0.05 0.06 -0.03 -0.03 0.03 0.03 0.04 -0.03 -0.10 0.02 -0.03 0.00 -0.03 -0.04 -0.01 -0.00 0.02 0.14 -0.03 0.09 -0.09 -0.00 0.08 -0.00 0.01 -0.00 0.18 -0.12 0.09 0.00 -0.00 0.02 0.02 -0.03 -0.02 -0.02 0.13 -0.07 -0.00 0.02 0.03 -0.05 0.09 0.04 0.05 -0.11 -0.08 0.10 -0.05 -0.07 -0.00 -0.02 0.00 0.01 -0.00 -0.05 0.01 0.01 -0.01 0.02 0.01 -0.02 0.01 -0.00 -0.01 0.02 0.00 -0.00 -0.02 -0.05 -0.03 -0.02 -0.01 0.06 -0.01 0.01 0.04 -0.02 -0.00 -0.01 -0.04 0.04 -0.05 -0.22 -0.21 0.26 -0.27 0.05 -0.15 0.04 -0.03 -0.03 -0.20 0.38 -0.17 -0.28 0.26 0.03 0.10 -0.05 -0.10 -0.02 -0.03 0.02 -0.00 -0.02 0.02 0.02 0.01 0.00 -0.12 0.02 -0.09 0.01 -0.01 -0.06 0.04 0.00 -0.06 0.02 -0.02 -0.05 0.05 -0.01 -0.04 -0.04 0.06 0.23 -0.04 0.01 -0.04 0.00 0.01 -0.02 0.03 0.00 0.00 -0.06 0.06 -0.07 -0.06 0.05 -0.07 -0.05 -0.03 -0.01 0.25 0.10 0.05 0.13 0.06 0.12 0.00 -0.00 0.01 -0.00 -0.01 -0.00 -0.01 -0.00 -0.00 0.08 0.01 -0.05 0.01 -0.01 0.05 -0.01 0.02 0.01 0.00 -0.03 0.02 0.11 0.06 0.01 -0.01 0.02 -0.01 -0.05 -0.03 0.04 0.10 0.02 -0.04 0.01 -0.01 -0.01 -0.21 -0.04 0.01 0.01 -0.00 -0.01 0.00 0.00 -0.01 -0.00 0.00 -0.01 0.08 0.07 -0.02 0.00 0.00 -0.02 -0.25 -0.06 -0.07 -0.22 -0.10 -0.07 -0.23 -0.06 -0.08 -0.20 -0.12 -0.04 -0.00 -0.00 -0.00 -0.00 0.01 0.00 -0.10 -0.02 0.04 0.01 -0.00 0.00 0.01 -0.01 0.00 0.01 -0.24 0.03 -0.14 0.04 -0.07 0.17 0.01 -0.04 0.04 -0.03 -0.01 0.03 -0.03 0.01 0.00 -0.00 -0.01 0.05 0.04 0.00 0.08 0.08 0.00 0.11 0.10 -0.02 0.01 0.00 -0.02 -0.24 -0.08 -0.14 -0.18 -0.10 -0.13 -0.27 -0.18 -0.15 -0.26 -0.13 -0.14 -0.01 0.02 0.01 0.00 -0.01 -0.00 0.01 -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 -0.02 -0.01 -0.01 -0.02 0.04 0.04 0.02 -0.02 0.01 -0.03 -0.04 0.01 -0.03 -0.01 -0.01 -0.05 0.03 0.02 -0.02 -0.04 -0.07 0.07 -0.12 0.08 -0.02 -0.03 0.12 -0.02 0.03 0.02 -0.06 0.12 -0.06 0.00 -0.02 -0.01 0.02 -0.02 -0.04 0.02 -0.09 -0.02 -0.04 0.07 0.15 -0.01 0.08 -0.07 -0.00 0.07 -0.03 -0.12 0.07 -0.07 0.00 -0.01 0.02 0.15 -0.09 -0.09 0.02 0.01 -0.01 0.02 0.01 -0.01 0.03 -0.01 -0.05 0.04 -0.01 -0.05 -0.01 -0.01 0.01 0.01 0.06 -0.04 -0.04 0.05 0.14 0.04 -0.02 0.02 0.04 -0.04 0.04 -0.06 -0.02 0.17 -0.08 0.01 0.13 0.04 -0.01 -0.03 0.05 -0.06 -0.06 -0.04 0.07 -0.05 -0.28 0.24 -0.03 0.05 0.01 0.01 -0.01 -0.07 0.03 0.03 -0.01 0.01 0.31 -0.20 -0.05 0.09 -0.06 -0.22 0.10 -0.05 -0.22 0.11 -0.10 -0.28 0.14 -0.09 -0.28 -0.03 0.08 -0.10 0.04 -0.03 0.02 0.04 -0.01 0.02 0.03 -0.01 0.03 0.07 -0.06 0.07 0.06 -0.05 0.06 0.05 0.04 0.00 0.00 -0.00 -0.01 0.01 -0.05 -0.04 -0.01 0.02 -0.02 0.02 0.03 -0.00 0.03 0.00 0.01 -0.03 0.06 0.09 0.03 -0.06 -0.12 -0.03 0.05 -0.07 0.05 0.01 -0.11 -0.01 0.01 0.02 0.03 -0.09 0.03 0.01 -0.01 -0.03 0.01 -0.01 -0.03 -0.02 0.06 0.02 -0.07 0.07 0.20 -0.01 -0.05 0.04 -0.02 -0.03 0.05 0.07 -0.03 0.06 0.01 0.02 0.01 -0.09 0.04 0.08 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.03 -0.02 -0.07 0.03 -0.03 -0.07 0.01 0.02 0.01 -0.00 -0.05 0.01 -0.06 0.07 0.18 -0.02 0.01 -0.02 -0.02 0.02 -0.03 0.09 0.07 -0.17 0.14 -0.04 -0.07 -0.00 0.00 -0.01 -0.06 0.03 0.06 0.01 -0.02 0.00 0.15 -0.13 0.03 0.07 0.07 -0.03 0.00 -0.02 -0.02 -0.02 -0.03 0.00 -0.17 0.12 0.06 0.10 -0.10 -0.28 0.10 -0.10 -0.28 0.14 -0.14 -0.38 0.14 -0.14 -0.40 0.04 -0.09 0.02 -0.02 0.00 -0.02 -0.01 0.01 -0.03 -0.02 0.01 -0.02 -0.05 0.04 -0.04 -0.04 0.03 -0.04 -0.04 -0.03 0.00 -0.01 -0.00 -0.00 -0.04 -0.03 0.12 0.01 -0.01 -0.04 0.01 0.02 0.02 0.03 -0.02 -0.03 -0.11 0.06 -0.10 -0.15 -0.09 0.03 0.03 -0.10 -0.05 0.03 -0.02 -0.04 0.02 0.11 -0.05 0.07 -0.11 -0.04 0.01 -0.11 0.08 0.14 0.01 0.03 -0.06 -0.02 -0.02 -0.00 0.03 -0.05 0.01 0.00 -0.09 -0.09 0.10 0.20 0.04 -0.01 0.03 0.05 0.00 0.01 0.04 0.04 -0.02 -0.01 0.07 -0.04 0.02 0.06 -0.04 -0.01 0.00 0.02 0.03 0.01 0.03 -0.04 0.07 0.10 0.02 -0.06 -0.05 0.03 -0.03 -0.01 -0.01 0.01 -0.00 -0.01 0.01 -0.00 0.06 0.06 -0.09 0.10 -0.04 0.04 0.35 0.06 0.12 -0.23 0.08 -0.00 -0.10 0.17 -0.17 -0.01 0.06 0.08 0.16 0.01 0.06 -0.02 -0.23 0.14 0.25 0.13 0.01 -0.03 0.18 -0.03 -0.07 0.09 -0.00 0.05 0.14 0.01 -0.07 -0.02 0.08 0.06 0.03 0.12 0.12 -0.22 -0.23 0.02 0.00 0.03 -0.05 0.02 -0.01 -0.02 0.01 0.01 -0.03 0.02 -0.01 -0.02 0.02 -0.01 -0.01 -0.02 0.01 0.01 0.00 0.00 0.01 0.09 -0.01 0.01 -0.02 -0.03 -0.00 0.01 0.02 0.01 -0.03 -0.04 0.11 -0.09 0.04 0.12 0.11 0.02 0.00 -0.10 -0.01 -0.06 0.06 0.03 -0.03 -0.08 0.09 0.08 -0.09 -0.04 -0.01 0.11 -0.06 -0.11 -0.03 -0.07 -0.09 -0.04 -0.04 0.01 -0.03 0.04 0.06 0.02 -0.09 -0.08 0.12 0.20 0.05 -0.04 0.01 -0.05 -0.03 -0.01 0.05 0.07 -0.08 0.01 -0.06 0.04 -0.01 -0.06 0.03 0.00 -0.00 -0.01 -0.03 -0.01 -0.02 -0.05 0.06 0.11 0.02 -0.05 -0.06 -0.02 0.02 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.01 -0.04 0.04 0.01 -0.10 0.11 0.10 -0.30 -0.09 -0.18 -0.25 0.10 -0.06 -0.07 0.17 -0.15 0.00 0.04 0.11 -0.19 -0.06 -0.03 0.01 0.20 -0.11 -0.22 -0.11 -0.00 -0.05 0.23 -0.10 0.06 -0.08 0.02 -0.05 -0.12 0.00 0.05 0.02 -0.05 -0.06 -0.01 -0.08 0.12 -0.20 -0.28 0.02 0.00 0.03 -0.04 0.02 -0.01 -0.00 0.01 0.02 -0.01 0.00 0.01 -0.00 0.01 0.01 -0.00 -0.01 0.01 0.00 0.00 0.00 -0.01 -0.09 -0.13 -0.01 -0.05 0.02 -0.03 -0.02 0.01 -0.05 -0.00 -0.03 -0.02 0.08 0.08 0.02 -0.07 -0.03 -0.12 0.06 0.12 -0.03 -0.07 0.19 0.02 -0.05 -0.12 0.05 0.09 0.04 0.02 -0.04 0.03 0.01 0.00 0.08 -0.13 0.02 -0.05 -0.00 0.01 -0.01 0.17 -0.02 0.03 0.02 0.09 -0.00 0.07 -0.15 -0.03 0.04 0.07 -0.01 -0.06 0.14 -0.19 -0.00 0.02 -0.01 -0.02 0.02 -0.01 0.00 -0.01 0.00 -0.01 -0.01 0.00 -0.02 -0.01 0.03 0.02 0.07 -0.04 -0.00 -0.01 0.00 0.02 -0.01 0.01 0.02 -0.02 0.02 -0.01 0.07 0.16 0.07 -0.12 0.27 0.05 0.07 0.21 -0.01 0.04 -0.13 0.21 -0.19 0.15 0.26 -0.30 0.14 0.10 0.12 -0.04 0.03 0.02 -0.02 0.03 0.02 -0.01 -0.16 0.22 -0.22 -0.02 0.03 -0.01 -0.00 0.03 -0.01 -0.01 -0.02 0.01 0.01 -0.01 0.00 -0.02 0.08 -0.13 0.01 0.01 0.00 0.00 0.01 -0.00 0.05 -0.00 0.03 0.05 -0.04 0.04 0.04 -0.03 0.04 0.03 0.04 -0.01 -0.01 -0.00 -0.00 0.09 0.03 0.06 -0.02 -0.08 0.04 -0.05 -0.04 0.01 -0.10 0.01 -0.04 -0.05 -0.03 -0.04 -0.06 0.04 -0.02 0.10 0.06 0.00 0.09 -0.03 -0.02 0.02 0.04 0.05 0.15 0.06 -0.10 -0.03 0.03 -0.04 0.00 0.05 -0.05 0.02 0.16 0.19 -0.00 -0.02 0.01 -0.04 -0.17 -0.17 0.08 0.16 -0.07 -0.08 -0.18 0.14 -0.06 -0.10 0.03 -0.14 -0.04 0.03 -0.02 -0.04 0.01 0.06 -0.02 0.03 -0.03 0.02 -0.02 0.04 0.04 -0.00 -0.02 -0.05 0.00 0.04 0.15 -0.09 0.01 0.03 -0.00 0.04 -0.02 0.03 0.04 -0.04 0.04 0.09 -0.09 -0.02 0.04 -0.01 -0.06 -0.02 0.01 -0.12 -0.02 0.28 0.12 -0.12 -0.16 -0.13 -0.07 -0.25 -0.02 -0.03 -0.10 0.05 -0.07 -0.14 0.06 0.01 -0.04 0.03 -0.09 0.25 0.08 0.01 -0.05 0.02 0.05 -0.04 0.03 -0.02 0.04 -0.03 0.02 0.04 -0.02 -0.07 0.24 -0.20 0.00 0.01 -0.01 0.02 0.02 -0.00 0.12 -0.00 0.06 0.09 -0.08 0.08 0.09 -0.07 0.09 0.07 0.08 -0.03 -0.02 0.00 -0.01 0.20 0.03 0.07 0.01 0.03 -0.01 0.02 0.01 -0.00 0.04 -0.00 0.02 -0.11 -0.04 -0.05 -0.12 0.07 -0.06 -0.10 0.01 0.02 0.10 -0.16 0.07 0.06 0.07 0.05 -0.09 0.02 0.06 -0.05 0.06 -0.07 0.01 0.10 -0.08 -0.07 -0.04 -0.11 0.00 -0.05 0.02 0.08 0.05 0.11 -0.03 -0.06 0.02 0.08 0.02 -0.07 -0.11 -0.18 0.06 0.01 0.09 -0.06 -0.06 -0.10 0.02 0.14 -0.05 0.07 -0.09 0.05 -0.05 0.10 0.11 -0.01 0.01 0.01 -0.00 -0.01 -0.05 0.04 0.01 0.06 -0.01 -0.01 0.01 -0.01 -0.01 0.01 -0.01 0.14 -0.30 0.03 -0.04 -0.07 0.04 -0.05 0.06 -0.17 0.05 -0.16 -0.07 0.23 -0.09 0.14 0.24 -0.09 0.07 -0.05 -0.18 0.09 -0.14 -0.29 0.12 0.01 -0.09 0.05 -0.02 -0.06 -0.09 0.01 -0.11 0.04 0.12 -0.08 0.06 -0.06 0.09 -0.07 0.04 0.11 -0.04 0.02 -0.07 0.08 -0.00 -0.01 0.00 -0.00 -0.01 0.00 -0.04 0.00 -0.02 -0.03 0.03 -0.03 -0.03 0.02 -0.03 -0.02 -0.03 0.01 -0.00 -0.03 0.01 0.12 0.03 0.04 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.05 -0.04 -0.05 -0.07 0.09 -0.02 -0.02 0.01 0.01 0.07 -0.08 0.02 0.02 0.05 0.07 -0.02 0.02 0.01 -0.03 0.04 -0.07 -0.04 0.07 -0.06 -0.03 0.01 -0.02 -0.04 0.08 -0.04 0.03 -0.01 0.02 -0.00 -0.00 -0.00 0.02 -0.02 -0.00 -0.06 -0.10 0.02 -0.02 0.03 -0.02 0.19 0.26 -0.02 -0.26 0.06 -0.10 0.30 -0.05 0.12 -0.17 -0.26 0.02 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.04 -0.08 0.05 0.00 0.00 0.00 0.00 -0.00 0.00 0.09 -0.17 0.01 -0.01 -0.03 0.00 -0.12 0.01 -0.18 0.02 -0.03 -0.01 0.09 -0.07 0.04 0.10 -0.09 0.03 -0.05 -0.11 0.05 -0.08 -0.13 0.06 -0.00 -0.04 0.03 -0.02 0.00 -0.02 0.13 0.26 -0.07 -0.18 0.14 -0.12 0.23 -0.14 0.10 -0.08 -0.28 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 -0.01 -0.00 -0.00 -0.04 -0.06 -0.11 -0.00 -0.00 0.01 -0.00 -0.01 -0.00 -0.01 0.00 0.01 0.08 -0.07 -0.20 -0.07 0.05 0.18 0.00 -0.02 0.02 0.02 -0.05 -0.01 -0.16 0.16 0.31 -0.02 0.03 0.03 0.07 -0.14 -0.15 -0.01 -0.05 0.05 -0.04 0.01 -0.03 0.01 -0.03 -0.06 0.03 0.00 0.06 0.01 0.02 -0.02 0.03 -0.02 -0.01 0.08 0.09 -0.06 -0.02 0.03 -0.01 -0.05 0.03 0.07 0.00 0.03 0.08 -0.00 -0.01 -0.07 0.05 -0.01 -0.06 0.00 -0.01 -0.02 0.01 0.04 -0.01 -0.02 0.04 0.09 0.01 -0.00 0.01 0.01 -0.01 0.01 0.03 0.17 -0.04 0.16 -0.11 0.11 0.22 -0.30 -0.38 -0.03 0.01 -0.03 0.07 -0.06 0.09 0.07 -0.06 0.02 -0.02 -0.00 0.03 0.08 0.13 -0.01 0.14 0.20 -0.05 -0.05 -0.01 -0.02 -0.03 0.02 0.05 0.01 0.04 0.08 0.05 -0.08 -0.24 0.09 -0.05 -0.19 -0.01 0.05 -0.02 0.00 0.00 0.00 0.01 -0.00 0.01 0.01 -0.00 0.00 0.01 -0.02 0.01 0.01 -0.01 0.01 0.01 0.01 -0.00 0.00 0.00 0.00 0.00 0.01 0.03 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.01 -0.00 0.02 -0.03 0.07 0.11 -0.01 0.02 -0.01 -0.01 0.02 0.01 0.07 -0.07 -0.14 0.01 -0.01 -0.01 0.08 -0.10 -0.19 -0.01 0.06 0.07 0.02 -0.00 0.01 0.04 -0.03 -0.08 -0.01 0.00 -0.03 0.00 -0.01 0.01 -0.01 0.01 0.00 -0.03 -0.04 0.01 0.01 -0.01 0.00 -0.03 0.02 0.08 -0.03 0.04 0.08 0.02 -0.03 -0.07 0.02 -0.02 -0.07 0.00 0.01 0.01 -0.00 -0.02 0.01 -0.04 0.03 0.09 -0.01 0.00 -0.00 -0.00 0.01 -0.01 -0.02 -0.05 0.02 -0.06 0.04 -0.04 -0.23 0.41 0.67 0.03 -0.01 0.01 -0.02 0.02 -0.04 -0.02 0.01 -0.01 -0.02 -0.05 0.02 -0.03 -0.05 0.01 -0.02 -0.03 0.01 0.03 0.00 0.01 -0.05 0.03 0.07 -0.03 0.03 0.07 0.07 -0.08 -0.21 0.09 -0.08 -0.23 0.00 -0.02 0.02 -0.01 0.01 -0.00 -0.01 0.00 -0.00 -0.00 0.00 -0.00 -0.01 0.01 -0.01 -0.01 0.01 -0.01 -0.01 -0.00 -0.00 -0.07 -0.03 -0.01 0.08 0.05 0.02 -0.01 -0.03 -0.00 -0.00 0.01 -0.00 0.01 0.03 -0.03 0.04 0.01 0.01 -0.02 -0.05 0.03 -0.02 0.06 0.01 0.03 -0.02 0.05 0.00 -0.06 -0.00 0.04 0.00 -0.03 -0.12 -0.05 -0.02 -0.09 -0.05 -0.02 0.03 0.04 0.05 -0.18 -0.07 -0.03 -0.03 0.01 -0.10 0.04 -0.06 0.06 -0.07 0.01 0.01 0.10 0.14 -0.04 0.01 0.00 -0.04 -0.03 0.17 -0.07 0.08 -0.16 0.09 -0.03 0.18 -0.07 0.08 -0.15 0.09 0.02 0.02 0.06 -0.03 -0.10 0.04 0.21 0.08 0.04 -0.04 0.01 -0.02 -0.02 0.05 -0.04 0.03 -0.14 0.07 -0.08 0.03 -0.01 -0.15 0.01 0.09 0.26 -0.13 0.06 0.09 -0.11 -0.06 0.12 -0.17 0.03 0.07 0.13 -0.04 0.11 0.16 -0.05 0.07 0.12 -0.04 0.27 -0.11 0.03 0.19 0.14 -0.01 0.22 -0.02 0.06 -0.17 0.02 -0.07 -0.11 -0.13 0.01 -0.00 -0.11 0.08 -0.05 0.03 -0.04 -0.05 0.03 -0.05 0.02 0.02 0.01 -0.04 0.05 -0.05 -0.03 0.04 -0.05 -0.03 -0.00 -0.01 -0.02 -0.01 -0.00 0.02 0.03 0.04 0.03 0.06 -0.01 0.01 -0.01 0.00 -0.01 -0.06 0.05 0.01 0.00 0.02 -0.00 -0.01 0.03 0.04 -0.10 -0.03 0.01 0.03 -0.06 0.02 -0.04 -0.03 -0.08 -0.01 0.02 -0.03 -0.03 -0.03 -0.03 -0.02 -0.02 -0.04 -0.04 -0.07 -0.07 -0.01 0.02 0.04 -0.04 0.12 -0.08 0.08 -0.10 0.11 -0.02 -0.01 0.03 0.04 -0.01 -0.03 0.01 0.08 -0.01 0.06 -0.04 0.03 -0.07 0.02 -0.02 0.07 -0.01 0.02 -0.05 0.05 -0.05 -0.02 -0.09 0.04 0.14 -0.06 0.09 0.02 -0.01 0.06 -0.01 0.04 0.03 -0.07 0.06 0.00 -0.06 -0.05 -0.05 0.06 -0.08 -0.14 0.14 0.26 -0.39 0.20 -0.08 -0.10 0.14 0.05 -0.16 0.24 -0.06 0.02 0.04 -0.01 0.03 0.05 -0.02 0.01 0.03 -0.01 -0.40 0.18 -0.02 0.09 0.03 -0.07 0.11 -0.03 -0.05 -0.07 0.01 -0.01 -0.05 -0.05 0.01 0.01 0.16 -0.11 0.09 -0.06 0.07 0.09 -0.06 0.08 -0.07 -0.03 -0.02 0.05 -0.08 0.07 0.04 -0.07 0.07 0.04 -0.01 0.03 0.01 0.00 0.01 -0.01 -0.00 -0.02 -0.01 -0.01 0.00 -0.00 0.00 -0.00 0.00 0.01 -0.01 0.01 -0.01 -0.03 -0.03 0.05 0.08 -0.00 0.01 0.01 0.01 -0.02 0.01 -0.02 0.02 0.05 0.01 0.01 -0.00 0.07 -0.09 -0.15 0.00 -0.01 -0.01 0.00 0.01 0.01 -0.05 0.08 0.20 -0.00 0.01 -0.01 0.01 -0.01 0.01 -0.01 0.00 0.00 0.00 0.00 -0.01 -0.00 0.00 -0.01 0.02 -0.05 -0.06 0.02 -0.00 -0.07 -0.04 0.02 0.12 -0.04 0.06 0.10 0.01 0.00 0.02 -0.01 -0.02 0.01 0.04 -0.07 -0.18 -0.01 0.00 -0.01 -0.00 0.01 -0.01 0.00 0.02 0.01 0.02 -0.02 0.02 -0.18 0.23 0.42 0.07 -0.04 0.01 0.04 -0.05 0.00 0.05 -0.07 0.01 -0.01 -0.02 0.02 0.00 0.01 0.00 0.02 0.03 -0.00 0.08 -0.05 0.01 0.13 -0.18 -0.45 0.14 -0.16 -0.47 -0.01 0.02 0.07 -0.00 0.04 0.06 -0.00 -0.02 0.02 -0.01 0.01 -0.01 -0.01 0.01 -0.02 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 0.00 0.00 -0.03 0.05 0.01 0.07 0.13 -0.06 0.03 0.02 0.00 0.02 -0.10 0.05 -0.00 0.01 -0.00 -0.01 -0.01 -0.00 0.15 -0.08 0.02 0.02 -0.04 0.10 -0.03 -0.02 0.00 -0.12 0.05 -0.09 -0.00 0.00 0.02 -0.02 -0.05 -0.01 0.01 0.16 0.02 0.03 0.00 -0.01 -0.01 -0.09 -0.11 -0.10 -0.07 -0.04 0.07 0.01 0.00 0.03 0.04 -0.01 -0.09 0.07 0.00 0.01 -0.03 0.01 -0.01 0.03 -0.01 0.02 -0.03 0.01 0.00 0.03 -0.02 -0.10 0.03 0.02 -0.02 -0.06 0.02 -0.03 -0.01 0.00 0.02 0.01 0.01 0.00 -0.02 0.02 -0.09 -0.07 0.24 -0.09 0.02 0.03 -0.09 -0.00 0.08 0.07 0.11 0.03 0.35 -0.34 -0.11 0.33 -0.28 -0.06 0.02 0.04 -0.01 0.03 0.04 -0.01 0.02 0.04 -0.01 0.22 -0.12 0.09 -0.03 -0.01 0.04 -0.04 0.02 0.02 0.04 0.00 0.02 0.03 0.03 0.01 0.03 -0.08 0.14 0.11 -0.09 0.10 0.05 -0.08 0.09 -0.21 -0.03 -0.08 -0.02 0.00 -0.01 -0.02 -0.00 -0.01 -0.01 -0.07 0.04 -0.00 -0.00 -0.00 0.01 -0.03 -0.02 0.07 -0.02 -0.12 -0.01 0.02 0.03 0.04 -0.14 -0.10 0.00 -0.00 -0.00 0.00 0.01 0.00 -0.06 0.07 0.01 -0.00 0.01 -0.01 0.01 0.02 0.01 0.07 -0.04 0.03 0.00 0.00 -0.01 0.01 0.02 0.00 0.03 -0.02 0.01 -0.01 -0.00 0.00 -0.01 0.04 0.09 0.06 -0.10 -0.26 -0.04 0.00 -0.02 -0.01 -0.02 0.01 0.01 -0.05 0.03 -0.00 0.01 -0.00 0.00 -0.01 0.00 -0.01 0.01 -0.00 -0.00 -0.01 0.01 -0.26 0.29 0.45 0.04 0.02 -0.12 0.01 0.00 -0.00 0.03 -0.01 0.00 0.01 -0.03 0.03 0.02 0.03 -0.04 0.05 -0.03 -0.02 0.06 -0.02 -0.06 0.10 -0.06 -0.00 -0.18 0.15 0.09 -0.09 0.05 -0.05 -0.01 -0.02 0.01 -0.01 -0.02 0.01 -0.01 -0.02 0.01 -0.12 -0.03 -0.01 0.01 0.00 -0.01 0.01 -0.00 -0.00 -0.01 -0.00 -0.01 -0.01 -0.01 -0.00 -0.16 0.36 0.35 0.13 -0.05 0.12 -0.06 -0.00 0.01 -0.08 0.01 0.03 0.02 -0.03 0.02 0.03 -0.05 0.05 0.02 -0.00 -0.01 -0.00 -0.00 0.00 0.01 -0.03 -0.02 0.03 0.07 -0.02 0.02 0.01 -0.00 0.00 -0.04 0.03 0.00 -0.00 0.00 0.00 0.01 0.01 -0.04 0.08 0.02 -0.02 -0.00 0.06 0.02 0.00 -0.03 -0.03 0.05 -0.02 0.02 -0.02 -0.05 -0.01 0.07 0.07 0.07 0.02 0.06 -0.01 0.00 0.02 0.03 -0.04 -0.06 -0.04 -0.05 0.02 0.02 -0.05 0.01 -0.02 -0.03 0.01 0.05 -0.04 -0.04 -0.01 0.02 -0.00 0.00 -0.01 0.01 -0.02 0.02 0.01 -0.00 -0.01 0.02 -0.02 -0.02 -0.03 -0.03 -0.07 0.04 0.02 -0.00 -0.02 -0.01 0.01 -0.01 -0.01 0.01 -0.01 -0.01 0.02 0.05 0.02 -0.03 0.06 0.19 -0.19 -0.37 -0.10 0.25 -0.03 -0.20 0.17 -0.11 -0.37 0.31 -0.10 -0.01 -0.02 0.00 -0.02 -0.03 0.01 -0.02 -0.03 0.01 -0.27 0.38 -0.11 0.04 -0.02 -0.10 0.04 -0.03 -0.08 -0.01 -0.02 -0.06 -0.00 -0.03 -0.04 0.02 -0.11 0.09 0.03 -0.04 0.03 0.02 -0.03 0.03 -0.11 -0.01 -0.05 -0.03 0.02 -0.02 -0.02 0.02 -0.02 -0.02 -0.04 0.02 0.01 0.00 -0.00 0.04 0.02 -0.01 -0.00 -0.01 0.00 -0.00 -0.00 0.00 0.01 0.02 -0.01 -0.01 0.00 -0.02 -0.04 -0.02 -0.02 -0.03 0.04 0.00 0.04 -0.05 0.01 -0.05 0.01 0.09 -0.04 0.06 -0.01 -0.04 0.02 0.06 -0.00 -0.11 -0.12 0.03 -0.01 0.02 0.02 -0.00 -0.01 0.03 -0.02 -0.01 0.02 -0.04 0.00 0.02 -0.05 0.01 0.04 0.06 -0.02 0.03 -0.02 -0.02 0.02 -0.03 0.00 -0.00 0.03 -0.02 0.03 -0.04 -0.00 0.01 0.03 -0.03 0.02 0.01 0.03 -0.01 -0.04 0.02 -0.04 -0.00 0.02 -0.02 0.00 -0.01 -0.01 0.02 -0.02 0.05 -0.06 -0.01 0.02 -0.03 0.01 -0.33 0.26 0.53 -0.12 0.17 -0.03 -0.12 0.10 -0.03 -0.29 0.25 -0.05 0.04 0.05 -0.01 0.03 0.04 -0.00 0.06 0.08 -0.02 -0.24 0.27 -0.08 -0.06 0.02 0.14 -0.06 0.05 0.10 0.02 0.04 0.10 0.02 0.06 0.06 -0.01 -0.03 0.07 -0.03 0.02 -0.02 -0.02 0.02 -0.02 0.02 0.01 0.01 -0.01 0.02 -0.02 -0.01 0.02 -0.02 -0.01 0.00 -0.01 -0.01 -0.00 -0.00 -0.04 -0.07 -0.08 0.04 0.11 -0.03 0.03 0.01 -0.00 -0.04 -0.09 0.06 0.02 -0.01 -0.00 0.06 0.02 -0.00 -0.05 0.08 0.02 -0.04 0.00 0.01 -0.01 0.10 0.09 0.12 -0.07 0.03 0.01 0.05 0.05 0.13 -0.00 -0.12 0.03 0.02 0.04 -0.01 -0.01 -0.00 -0.01 0.03 -0.02 -0.07 0.03 0.01 -0.07 0.02 -0.01 -0.06 -0.09 0.03 0.03 -0.02 -0.05 -0.01 0.03 -0.03 0.01 -0.05 0.00 -0.03 0.03 -0.04 -0.01 -0.06 0.00 -0.07 -0.05 -0.10 -0.01 0.02 -0.00 0.03 0.02 0.03 0.03 0.00 0.01 0.01 -0.03 0.02 -0.02 0.18 -0.03 0.11 -0.08 0.10 0.03 0.35 0.50 0.27 -0.14 0.04 -0.14 0.11 -0.02 0.10 -0.14 0.03 -0.08 -0.09 0.03 -0.04 -0.05 0.01 -0.07 -0.08 0.03 0.13 -0.05 -0.02 -0.02 0.07 0.09 -0.00 0.02 0.13 -0.10 0.02 0.05 -0.10 -0.02 0.08 0.05 -0.05 -0.04 0.09 -0.08 0.08 0.08 -0.08 0.09 -0.18 -0.03 -0.08 -0.00 -0.02 0.01 -0.00 -0.02 0.01 0.00 -0.04 0.03 0.01 0.00 0.00 0.11 0.05 0.04 0.03 0.08 -0.02 0.02 0.01 -0.00 -0.04 -0.08 0.05 -0.04 0.01 -0.02 -0.10 -0.03 -0.01 -0.11 0.11 -0.01 0.06 -0.04 0.01 -0.01 -0.10 -0.02 0.15 -0.13 0.04 -0.04 -0.04 -0.03 -0.14 -0.06 0.06 0.01 -0.02 0.01 0.02 0.01 0.00 -0.02 0.04 0.01 -0.06 0.06 0.00 -0.08 0.04 -0.01 0.08 0.13 -0.04 0.05 -0.04 -0.01 0.03 -0.05 0.03 -0.01 0.07 -0.02 0.05 -0.06 0.04 0.01 0.09 -0.02 -0.06 -0.04 -0.09 0.00 0.05 -0.03 -0.05 -0.02 -0.02 0.03 0.00 0.02 0.01 -0.04 0.03 0.10 -0.23 -0.03 -0.06 0.02 -0.06 -0.25 -0.23 -0.23 0.30 -0.27 0.06 -0.25 0.24 -0.03 0.08 -0.10 0.05 0.11 0.13 -0.03 0.06 0.06 -0.01 0.13 0.15 -0.05 0.04 -0.03 -0.01 -0.01 -0.06 -0.01 -0.03 0.00 -0.09 0.12 0.00 0.02 0.13 0.06 -0.04 0.04 -0.00 -0.08 0.08 -0.07 0.07 0.07 -0.07 0.08 -0.13 -0.03 -0.05 0.01 -0.03 0.02 0.01 -0.03 0.02 0.01 -0.03 0.03 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.01 -0.01 -0.01 0.00 0.00 0.00 0.00 -0.00 -0.01 0.01 0.02 -0.00 -0.00 -0.00 -0.00 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 0.05 0.03 -0.02 -0.08 -0.02 0.02 0.06 0.03 -0.02 -0.08 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.01 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.01 0.00 -0.00 0.00 0.00 -0.01 0.01 0.01 0.00 -0.01 0.00 -0.00 0.01 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.01 0.00 0.00 0.13 -0.13 -0.37 -0.15 0.16 0.46 0.15 -0.15 -0.41 -0.18 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 -0.00 -0.00 0.01 -0.04 -0.04 -0.07 0.02 -0.01 0.00 -0.00 0.03 0.06 -0.02 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.11 0.04 -0.05 -0.07 -0.10 0.24 -0.00 0.01 0.01 -0.01 -0.12 -0.08 0.01 0.01 0.00 0.01 0.00 -0.01 0.07 0.06 -0.08 -0.00 0.00 0.00 -0.07 -0.12 -0.08 -0.01 0.04 -0.01 0.16 0.19 -0.08 -0.01 -0.01 0.00 -0.02 -0.06 0.18 -0.00 0.00 -0.01 -0.00 -0.00 0.00 -0.00 0.00 -0.01 -0.00 -0.01 0.00 0.04 0.03 -0.00 0.02 0.06 -0.04 0.00 0.00 0.00 0.02 -0.01 0.02 0.01 -0.02 0.02 -0.01 0.07 0.16 -0.01 -0.10 0.44 0.02 0.02 0.03 0.18 -0.18 0.06 -0.18 0.19 -0.29 0.17 0.12 -0.30 -0.01 -0.01 0.00 -0.00 -0.00 -0.00 -0.01 -0.01 0.00 -0.27 0.03 0.11 -0.01 0.02 0.03 0.01 -0.01 -0.01 -0.02 0.01 0.04 -0.01 -0.01 -0.01 -0.00 0.07 -0.09 -0.03 0.05 -0.04 -0.01 0.04 -0.04 0.14 0.01 0.07 0.02 -0.03 0.02 0.02 -0.02 0.03 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 -0.01 0.01 0.02 0.00 -0.00 0.00 -0.00 0.01 -0.00 0.01 -0.01 -0.01 -0.00 0.00 0.00 0.03 -0.05 -0.08 -0.02 0.02 0.04 -0.00 -0.00 -0.00 -0.05 0.05 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 -0.00 0.00 -0.00 0.03 -0.03 -0.08 0.02 -0.02 -0.06 0.03 -0.03 -0.08 0.02 -0.02 -0.06 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.02 0.03 0.07 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.01 0.00 -0.01 0.01 -0.01 0.01 -0.04 -0.08 -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 0.01 -0.00 -0.00 0.00 0.00 0.01 -0.00 0.00 -0.14 0.15 0.41 -0.09 0.10 0.28 -0.20 0.21 0.57 -0.14 0.14 0.41 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -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 0.00 0.01 -0.00 -0.00 -0.00 0.00 -0.01 -0.01 0.00 -0.00 -0.00 -0.00 -0.02 -0.00 -0.00 -0.05 0.04 -0.01 -0.04 0.01 0.04 0.01 -0.00 0.01 0.06 -0.05 0.01 -0.01 -0.00 -0.00 -0.00 0.00 -0.01 0.09 -0.07 0.01 -0.00 -0.00 -0.00 -0.09 0.06 -0.03 0.01 0.02 0.01 0.05 -0.01 -0.00 0.00 0.01 -0.00 -0.04 0.03 0.01 0.00 -0.00 0.00 0.00 0.00 -0.00 0.01 -0.00 0.00 0.00 0.01 -0.00 -0.01 -0.00 -0.01 0.00 0.02 -0.01 -0.00 -0.00 -0.00 0.01 0.00 0.00 0.00 -0.00 0.00 0.02 0.03 -0.04 0.02 -0.01 0.10 -0.03 0.01 0.00 -0.41 0.40 -0.09 0.42 -0.41 0.08 -0.21 0.23 -0.09 0.01 0.01 0.00 0.00 -0.00 0.00 0.01 0.02 -0.00 0.25 -0.27 0.07 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.01 -0.00 -0.00 0.01 0.01 0.00 0.01 0.01 -0.04 0.01 -0.01 0.01 0.01 -0.01 0.01 -0.02 -0.00 -0.01 0.00 -0.01 0.01 0.00 -0.00 0.00 0.00 0.01 -0.00 -0.00 0.00 -0.00 -0.00 0.02 0.01 0.20 0.15 0.00 -0.10 -0.16 0.07 -0.13 -0.11 0.01 0.00 -0.00 0.00 0.00 0.00 0.00 -0.01 -0.04 -0.02 -0.02 -0.03 0.01 -0.00 -0.00 -0.01 0.02 0.05 -0.02 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.04 -0.03 -0.06 0.00 0.00 0.00 -0.01 -0.03 0.01 0.21 0.02 0.07 0.04 0.04 -0.01 0.00 -0.00 0.00 -0.03 -0.02 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 0.03 -0.17 0.12 0.15 0.06 0.05 0.00 0.00 0.00 -0.20 0.06 -0.14 -0.05 0.18 -0.15 0.02 0.04 -0.05 0.00 -0.01 0.12 -0.00 -0.00 -0.00 -0.02 -0.14 0.00 -0.06 0.04 -0.01 0.05 0.02 -0.03 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.13 -0.02 0.06 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.02 0.12 -0.24 -0.06 -0.08 0.02 -0.10 -0.08 0.00 -0.45 0.03 -0.23 0.07 0.06 -0.01 0.07 0.07 -0.03 -0.01 0.32 -0.23 -0.00 -0.00 -0.00 0.27 -0.31 -0.01 0.00 -0.00 -0.00 0.00 -0.01 -0.00 0.01 0.01 -0.00 -0.00 -0.03 -0.00 -0.11 -0.07 0.00 0.08 -0.07 0.04 -0.25 0.40 0.07 0.09 0.00 0.08 -0.05 0.04 -0.02 -0.11 -0.02 -0.03 -0.02 0.09 -0.09 -0.02 0.00 -0.01 -0.06 -0.03 -0.02 0.04 -0.08 -0.03 -0.00 -0.02 -0.02 -0.02 0.06 -0.01 0.02 0.04 -0.02 -0.01 0.01 0.02 0.02 -0.01 0.01 0.00 0.03 -0.01 0.06 -0.04 0.04 0.03 0.07 -0.02 0.01 0.00 0.02 -0.01 0.01 0.03 -0.02 -0.01 -0.00 -0.01 0.00 -0.00 -0.00 0.01 -0.01 -0.15 0.17 -0.01 -0.06 0.24 0.04 -0.19 0.12 -0.05 0.01 -0.03 0.00 -0.24 0.22 -0.13 0.27 -0.22 0.04 0.05 0.02 0.02 0.01 -0.02 0.02 0.09 0.08 -0.02 0.04 0.01 0.04 0.03 -0.02 0.02 0.01 0.04 -0.02 0.10 -0.00 0.02 0.09 0.07 0.01 0.05 -0.10 -0.11 -0.01 0.01 -0.01 -0.01 0.01 -0.01 0.01 0.00 0.00 0.00 -0.00 0.01 -0.00 0.01 -0.01 -0.00 0.01 -0.00 -0.00 -0.00 0.00 0.01 -0.01 -0.00 0.00 0.01 0.01 -0.02 0.01 0.03 -0.01 0.00 0.01 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.01 0.01 0.01 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.01 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.02 0.05 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 0.03 -0.03 -0.04 0.07 -0.10 -0.15 -0.00 -0.00 -0.00 -0.01 0.00 -0.00 -0.00 0.01 0.00 -0.01 0.01 0.00 0.00 0.00 -0.01 -0.01 0.00 -0.01 -0.02 0.00 -0.00 -0.02 0.01 -0.00 0.01 -0.01 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 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 -0.29 0.51 0.78 -0.01 -0.00 -0.01 0.00 -0.00 0.00 -0.01 -0.00 -0.01 0.00 0.02 -0.03 0.01 -0.03 0.02 0.01 0.00 -0.03 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.01 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.01 -0.01 -0.02 -0.00 -0.00 0.01 -0.00 -0.00 -0.00 -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 0.00 -0.00 0.00 0.00 0.00 0.02 -0.03 -0.06 0.03 -0.03 -0.09 -0.02 0.02 0.05 -0.03 0.03 0.09 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 0.00 -0.00 -0.01 0.01 -0.00 0.00 -0.01 0.00 -0.00 0.01 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.01 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.13 0.13 0.37 -0.18 0.19 0.53 0.11 -0.12 -0.33 0.18 -0.18 -0.49 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.06 0.07 -0.01 -0.01 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.11 -0.03 0.06 0.11 -0.21 0.17 0.00 -0.01 -0.01 0.01 -0.09 -0.03 0.03 0.13 -0.06 0.02 -0.01 0.01 -0.21 -0.11 -0.02 -0.10 0.25 -0.18 -0.02 0.05 0.01 -0.17 -0.06 -0.03 -0.03 0.04 0.01 0.00 0.00 0.00 0.03 -0.03 0.00 0.03 -0.03 0.02 0.02 -0.02 -0.01 0.03 -0.03 0.02 0.01 0.03 -0.02 0.12 -0.08 0.07 0.05 0.15 -0.02 -0.01 0.00 -0.01 -0.00 0.00 0.00 -0.04 -0.01 -0.01 0.01 -0.00 0.00 0.00 0.00 -0.00 0.04 0.11 -0.09 0.06 -0.07 0.13 0.20 0.30 -0.11 0.21 -0.16 0.05 0.18 -0.18 0.08 -0.16 0.14 -0.06 -0.09 -0.05 -0.00 0.07 0.12 -0.04 -0.12 -0.11 0.04 -0.13 0.08 -0.05 0.11 -0.05 0.05 0.04 0.12 0.05 0.19 -0.00 0.09 0.17 0.12 -0.06 0.00 -0.00 -0.01 0.01 -0.00 0.00 0.01 -0.00 0.01 -0.00 -0.00 0.00 -0.00 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 0.01 -0.00 0.01 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.01 -0.00 0.01 0.02 -0.02 0.02 -0.02 0.01 -0.01 -0.00 -0.06 -0.01 0.00 0.01 -0.01 -0.02 0.02 0.00 -0.02 -0.01 -0.00 -0.01 0.02 -0.01 0.09 -0.05 0.04 -0.01 -0.00 -0.00 0.07 -0.06 0.03 -0.00 -0.01 -0.01 -0.05 0.05 -0.02 0.00 -0.00 0.00 -0.04 0.04 -0.03 0.00 -0.00 0.00 0.00 0.00 -0.00 0.01 -0.01 0.01 0.00 0.01 -0.00 0.01 -0.00 0.01 -0.00 -0.00 0.01 -0.00 -0.00 -0.00 -0.01 0.00 -0.01 0.00 -0.00 0.00 0.06 0.05 -0.10 0.05 -0.06 0.11 0.02 0.02 -0.01 -0.40 0.42 -0.08 -0.39 0.36 -0.06 0.29 -0.29 0.04 -0.01 -0.01 -0.00 0.01 0.02 -0.01 -0.02 -0.02 0.00 0.23 -0.25 0.03 0.01 -0.00 0.00 0.00 0.01 0.01 0.02 0.00 0.01 0.02 0.01 -0.01 0.01 -0.01 -0.00 -0.01 0.00 -0.01 -0.01 0.00 -0.01 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -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 0.01 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 0.03 -0.03 -0.10 -0.02 0.02 0.07 -0.03 0.03 0.09 0.02 -0.02 -0.06 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.01 -0.01 0.00 -0.00 0.01 -0.00 -0.00 -0.01 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.20 0.20 0.54 0.12 -0.13 -0.36 0.17 -0.18 -0.48 -0.12 0.12 0.33 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.28 -0.02 0.15 0.01 0.29 -0.20 -0.03 0.01 -0.02 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 0.01 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 0.00 -0.01 0.01 -0.00 -0.00 0.02 -0.02 0.01 -0.01 0.00 0.00 0.00 -0.00 -0.01 -0.00 0.01 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.14 -0.11 0.13 -0.17 0.02 -0.07 -0.00 -0.00 -0.00 -0.31 0.03 -0.17 0.06 -0.30 0.23 0.01 0.02 -0.02 0.01 -0.00 0.02 -0.01 0.00 0.00 0.06 -0.06 0.01 0.04 -0.04 0.01 -0.07 0.06 -0.03 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.02 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 -0.12 -0.03 -0.07 -0.23 0.03 -0.09 -0.19 0.01 -0.14 -0.14 0.06 -0.10 -0.08 -0.12 0.04 -0.09 -0.10 0.07 0.05 -0.33 0.25 -0.00 -0.00 -0.00 0.05 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 -0.03 0.02 -0.02 0.01 -0.08 -0.01 -0.16 -0.07 -0.07 0.02 -0.03 -0.01 -0.00 0.01 0.02 0.01 0.01 -0.00 -0.00 -0.03 0.02 0.04 0.11 0.07 0.01 0.00 0.00 0.01 0.04 0.04 -0.00 -0.00 -0.00 0.03 -0.00 -0.01 0.01 0.01 -0.00 -0.00 -0.03 -0.07 -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 -0.00 0.00 -0.00 -0.00 0.01 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.16 0.36 -0.51 0.16 -0.11 0.57 -0.10 -0.05 -0.02 0.19 -0.03 0.11 0.01 -0.06 0.13 -0.05 0.04 -0.14 0.00 0.01 -0.01 0.01 0.02 -0.01 0.00 0.01 -0.00 -0.11 -0.09 -0.11 -0.00 -0.00 -0.01 -0.02 -0.00 0.01 -0.02 0.00 0.00 0.00 -0.01 -0.01 -0.00 0.01 0.02 0.00 0.00 0.00 0.00 0.00 0.00 0.01 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 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 0.00 -0.00 -0.04 0.03 -0.01 -0.00 -0.00 -0.00 0.04 -0.04 0.01 -0.00 -0.00 -0.00 0.07 -0.07 0.02 -0.00 -0.00 -0.00 -0.08 0.08 -0.02 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.01 -0.01 0.02 -0.01 0.01 -0.03 0.00 0.00 0.00 0.22 -0.21 0.04 -0.27 0.26 -0.07 -0.41 0.39 -0.08 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.46 -0.43 0.11 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.01 -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 -0.01 0.04 -0.03 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.02 0.00 -0.00 -0.00 0.00 0.01 0.01 -0.00 0.02 -0.03 0.03 0.00 0.00 0.00 -0.01 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.28 -0.10 0.15 -0.22 0.12 0.07 -0.15 0.08 -0.03 0.16 -0.06 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.18 -0.07 -0.04 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.01 0.00 -0.00 0.01 0.06 -0.03 0.03 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.01 0.00 -0.01 0.01 0.02 -0.01 -0.01 -0.01 0.00 -0.00 -0.00 -0.00 -0.28 0.32 -0.22 -0.04 -0.42 0.18 -0.11 -0.34 0.09 -0.27 0.19 -0.19 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.02 -0.01 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.07 0.06 -0.06 0.16 -0.08 0.10 -0.00 -0.01 0.00 -0.00 0.01 0.00 -0.01 0.01 -0.00 -0.01 -0.01 0.00 0.04 0.01 0.02 -0.07 0.01 -0.04 0.00 0.01 0.02 0.05 0.03 0.01 -0.00 -0.00 0.00 -0.01 -0.00 -0.00 0.01 0.01 0.00 -0.10 0.03 -0.05 0.00 -0.00 -0.02 0.00 0.02 -0.01 0.01 -0.02 0.01 -0.03 0.01 -0.01 -0.01 -0.02 0.01 0.00 0.00 0.00 0.01 0.01 -0.00 -0.01 -0.01 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.02 -0.01 -0.02 -0.01 0.02 0.02 -0.42 -0.04 -0.15 -0.01 -0.00 0.03 -0.01 -0.02 0.02 0.01 0.01 0.00 0.26 0.01 0.14 -0.26 -0.52 0.24 0.38 0.26 -0.08 -0.01 -0.02 -0.03 -0.02 0.03 -0.01 -0.06 -0.09 0.04 -0.06 -0.02 -0.02 -0.04 -0.03 -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 -0.01 0.00 0.00 0.00 0.01 0.02 0.01 -0.10 0.06 -0.08 0.03 0.07 -0.04 -0.05 -0.04 0.00 -0.01 0.00 -0.00 0.02 -0.01 0.01 0.03 0.00 0.01 -0.07 -0.05 -0.01 0.01 -0.00 -0.01 0.11 0.17 -0.05 0.01 0.00 0.00 -0.01 -0.00 -0.00 -0.04 -0.08 -0.17 0.01 0.00 0.00 0.06 0.04 -0.01 0.15 0.03 0.05 -0.07 -0.07 -0.02 -0.01 0.00 -0.01 -0.05 0.00 0.24 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 -0.04 0.02 -0.12 -0.11 0.02 -0.00 -0.00 0.00 0.11 0.01 0.04 0.03 -0.03 0.04 0.06 0.16 -0.20 0.08 -0.09 0.22 -0.10 -0.02 -0.03 0.11 0.04 -0.37 0.14 0.19 -0.16 -0.07 -0.14 -0.18 0.03 0.00 0.02 -0.03 -0.05 0.03 0.04 0.03 -0.01 0.05 0.12 0.30 -0.01 0.01 -0.00 -0.02 -0.02 0.01 -0.01 -0.01 -0.00 -0.00 -0.00 -0.00 -0.12 -0.12 0.03 0.11 -0.05 0.05 0.05 -0.03 0.08 -0.12 -0.02 -0.05 -0.09 0.05 -0.05 -0.08 0.02 -0.07 -0.01 -0.24 0.16 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.06 0.04 -0.05 0.01 0.04 -0.03 -0.03 -0.03 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.01 -0.01 0.04 0.01 0.00 -0.04 -0.00 0.00 -0.00 0.05 0.09 0.04 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.06 -0.05 0.03 -0.00 -0.00 -0.00 -0.10 -0.12 -0.05 0.11 0.01 0.01 0.13 0.15 0.03 0.00 -0.00 0.00 0.00 -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 0.00 -0.03 0.02 -0.05 -0.04 0.01 0.00 0.00 -0.00 0.07 0.01 0.02 0.02 -0.03 0.03 0.02 -0.01 -0.05 0.02 -0.00 -0.06 0.03 -0.00 0.01 -0.27 -0.22 0.29 -0.40 -0.30 0.25 0.16 0.26 0.37 -0.01 -0.00 -0.00 0.01 0.01 -0.00 -0.01 -0.01 0.00 -0.09 -0.13 -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 -0.09 -0.01 0.01 0.07 -0.04 0.03 0.03 -0.02 0.05 -0.09 -0.01 -0.04 -0.04 0.02 -0.03 -0.04 0.00 -0.03 -0.00 -0.11 0.08 -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 -0.01 0.02 -0.01 0.04 0.04 -0.01 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.01 -0.01 0.00 -0.00 -0.00 -0.00 -0.01 0.01 -0.01 0.02 -0.04 0.03 0.00 0.00 0.00 -0.05 -0.00 -0.01 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.03 0.00 -0.01 -0.00 -0.00 0.00 -0.08 -0.08 0.00 -0.09 -0.00 -0.03 0.08 -0.12 0.07 -0.02 0.14 -0.06 0.00 -0.00 0.00 0.00 0.00 0.00 0.30 0.13 0.06 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.01 -0.01 0.00 -0.00 0.00 0.14 -0.03 0.07 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.01 0.05 -0.00 0.03 -0.06 -0.11 0.05 0.08 0.05 -0.02 -0.00 -0.00 0.00 -0.38 -0.05 -0.11 -0.22 -0.14 -0.03 -0.14 -0.41 0.10 -0.46 0.22 -0.24 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.03 -0.00 0.01 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.02 0.02 -0.02 0.10 0.08 -0.01 -0.00 -0.01 -0.00 -0.01 0.01 0.01 -0.05 -0.04 0.00 -0.00 0.00 -0.00 -0.08 0.03 -0.05 0.01 -0.09 0.06 0.00 0.01 0.01 -0.12 -0.01 -0.03 0.01 0.01 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.05 0.01 -0.03 -0.00 -0.00 0.00 0.00 -0.04 0.01 0.03 -0.00 0.01 0.06 0.00 0.02 0.01 -0.01 0.01 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.07 -0.01 -0.02 0.00 0.00 0.00 0.00 -0.00 0.00 0.04 -0.06 -0.05 0.00 0.01 0.03 0.69 -0.01 0.26 0.00 0.00 0.01 0.02 0.01 -0.01 -0.00 -0.01 -0.04 0.11 -0.00 0.07 -0.12 -0.22 0.11 0.17 0.12 -0.04 -0.02 -0.02 -0.00 0.10 -0.05 0.06 0.23 0.22 -0.01 0.26 0.23 0.01 0.02 -0.01 0.02 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.01 -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 -0.01 -0.16 0.10 -0.13 -0.14 0.12 -0.14 -0.03 0.01 -0.02 0.00 -0.00 -0.00 -0.01 -0.01 0.00 -0.02 -0.02 -0.08 0.04 0.03 0.05 -0.00 0.00 0.01 -0.08 -0.10 -0.04 0.01 -0.00 0.00 0.00 0.01 -0.01 0.03 0.05 0.09 0.01 0.00 0.00 0.05 0.06 0.06 0.05 -0.04 0.06 -0.03 -0.04 -0.02 0.00 -0.00 0.00 0.01 -0.01 -0.05 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.13 -0.15 0.15 0.19 0.02 0.06 0.00 -0.00 0.00 0.13 0.02 0.04 -0.06 -0.14 0.07 -0.04 -0.11 0.17 -0.11 0.10 -0.04 -0.02 0.01 -0.01 -0.04 0.00 0.17 0.13 0.16 -0.06 -0.05 -0.09 -0.25 -0.00 0.01 -0.01 0.01 0.01 -0.01 -0.02 -0.02 0.00 -0.11 -0.15 -0.10 -0.01 0.01 -0.00 -0.01 -0.01 0.00 -0.02 -0.02 -0.00 -0.00 -0.00 -0.00 0.22 0.00 0.04 0.09 -0.02 0.00 -0.07 0.03 0.03 -0.21 -0.01 -0.07 0.12 -0.17 0.08 0.08 -0.02 0.15 0.05 0.40 -0.25 -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 0.02 0.01 0.03 0.05 -0.02 -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 -0.01 0.01 -0.00 -0.03 0.02 0.00 0.00 -0.00 -0.03 -0.06 0.01 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.03 -0.03 0.00 0.00 0.00 0.06 0.04 0.00 -0.08 0.00 -0.03 -0.05 -0.01 -0.02 0.06 0.07 -0.01 0.00 -0.00 0.00 0.00 0.00 0.00 0.01 -0.03 0.02 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.01 -0.01 -0.01 0.01 -0.00 0.00 0.08 -0.02 0.04 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.10 -0.15 0.10 -0.00 0.04 0.08 0.03 0.15 0.00 0.00 0.00 0.00 0.51 -0.01 0.18 -0.27 -0.21 -0.03 -0.35 -0.34 -0.00 0.45 0.03 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 0.01 -0.00 0.00 -0.00 0.00 0.01 0.01 0.01 -0.00 0.01 -0.01 -0.04 0.02 -0.03 0.01 0.01 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.02 0.02 0.07 -0.04 -0.03 -0.04 0.01 -0.00 -0.00 -0.01 -0.01 0.08 -0.00 0.00 -0.00 -0.00 -0.01 0.00 0.01 -0.01 -0.10 -0.01 0.00 -0.00 -0.06 -0.07 -0.06 -0.05 -0.04 -0.01 -0.00 0.01 0.04 0.00 -0.00 -0.01 0.03 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 0.01 -0.01 0.01 0.08 0.03 0.02 -0.00 0.00 -0.00 0.00 -0.01 0.00 -0.05 -0.04 0.01 0.03 0.10 -0.14 0.08 -0.08 0.06 -0.01 -0.01 0.00 0.25 0.17 -0.38 -0.13 -0.14 0.04 0.01 0.09 0.36 -0.02 -0.03 0.03 -0.00 0.01 0.02 0.01 0.04 -0.00 0.34 0.39 0.14 -0.01 -0.00 -0.00 0.02 0.02 0.00 0.03 0.02 0.00 -0.01 -0.00 -0.00 0.15 -0.02 0.09 -0.02 0.03 -0.02 -0.02 0.02 -0.03 0.04 -0.00 0.02 0.10 -0.11 0.07 0.08 -0.04 0.11 0.02 0.26 -0.17 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 -0.04 0.03 0.06 0.00 -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 0.01 -0.01 0.01 -0.02 0.00 -0.01 -0.00 0.00 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 0.06 -0.06 -0.11 -0.00 -0.00 -0.00 -0.01 -0.01 -0.00 0.02 -0.00 0.01 0.01 0.00 0.00 -0.02 -0.02 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.01 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.01 -0.02 0.00 0.00 0.00 -0.00 0.01 -0.00 -0.02 -0.01 -0.01 0.02 0.01 0.01 -0.00 -0.00 -0.01 -0.02 -0.39 -0.50 0.31 0.09 0.32 0.22 0.03 0.50 0.02 -0.02 -0.02 -0.01 -0.15 0.00 -0.06 0.06 0.04 0.00 0.08 0.08 -0.00 -0.12 -0.01 -0.04 -0.01 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.01 0.01 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.02 -0.03 -0.05 -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 -0.00 -0.00 -0.00 -0.00 0.00 0.01 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.05 0.06 0.11 -0.01 -0.00 0.01 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.01 -0.00 0.01 0.00 0.00 -0.00 -0.00 -0.00 -0.01 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 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 -0.48 -0.09 -0.41 0.66 -0.08 0.17 0.09 -0.13 -0.27 0.01 0.01 -0.01 0.01 -0.03 0.02 0.00 0.01 -0.02 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.02 0.03 0.05 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 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 -0.10 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.01 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.01 -0.01 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.01 0.01 0.03 -0.02 -0.00 -0.02 0.03 -0.00 0.00 0.01 -0.01 -0.01 -0.09 -0.41 0.49 -0.03 0.63 -0.25 -0.09 0.15 0.27 -0.00 -0.00 -0.00 -0.01 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.01 0.01 -0.01 -0.00 -0.00 0.01 0.01 -0.00 -0.00 -0.00 0.00 0.01 -0.01 0.01 -0.00 -0.00 -0.01 -0.00 0.01 -0.00 0.01 0.01 0.00 0.02 0.01 -0.02 -0.01 -0.00 -0.00 0.02 0.02 -0.02 -0.00 0.00 0.00 -0.01 0.01 0.05 -0.00 0.01 -0.01 -0.04 -0.04 -0.01 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -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 -0.00 0.00 -0.01 0.00 -0.01 0.19 0.15 -0.23 0.19 0.15 -0.22 0.02 0.16 0.60 0.02 -0.00 0.01 -0.01 -0.01 0.01 0.03 0.03 -0.01 -0.39 -0.45 -0.16 0.01 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.01 -0.01 0.00 -0.01 0.01 0.00 -0.00 -0.01 -0.00 -0.00 -0.00 -0.13 0.04 -0.04 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.01 -0.10 0.09 -0.09 -0.01 -0.03 0.01 0.02 -0.03 0.00 -0.04 -0.02 0.18 -0.18 0.16 -0.01 -0.01 -0.01 -0.02 0.09 -0.05 0.17 0.11 0.00 -0.01 -0.01 0.00 -0.07 -0.04 -0.01 -0.01 -0.01 0.02 0.01 0.00 0.00 -0.01 -0.01 -0.01 -0.04 0.07 -0.10 0.02 0.01 -0.00 -0.01 0.00 -0.00 -0.01 0.01 -0.01 0.03 -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 0.00 0.00 0.01 -0.00 0.01 0.00 -0.00 -0.19 0.24 0.19 -0.02 -0.02 -0.02 -0.14 0.07 -0.11 -0.06 -0.05 0.06 -0.08 -0.05 0.10 -0.01 -0.02 -0.06 0.25 -0.02 0.17 -0.12 -0.15 0.19 0.41 0.40 -0.10 0.10 0.12 0.03 0.13 -0.02 0.05 0.04 0.06 -0.01 0.03 -0.00 0.01 0.08 0.02 0.02 -0.03 0.02 -0.03 0.01 -0.02 0.01 0.01 -0.01 0.02 -0.03 0.00 -0.02 -0.02 0.01 -0.01 -0.02 0.02 -0.03 -0.00 -0.04 0.03 -0.00 -0.00 -0.00 -0.00 0.01 -0.00 0.04 0.02 0.01 0.02 0.03 -0.01 -0.00 -0.02 0.01 0.00 -0.01 0.00 -0.00 -0.00 -0.00 0.00 0.01 0.05 0.00 -0.00 -0.02 0.01 -0.01 0.01 0.09 0.09 -0.03 -0.00 0.00 -0.00 0.01 0.00 0.00 -0.04 -0.04 0.02 -0.00 -0.00 -0.00 0.02 0.02 -0.03 -0.03 -0.01 -0.00 0.02 0.02 -0.02 -0.00 0.00 -0.00 -0.03 -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 -0.04 0.04 -0.04 0.02 -0.03 0.03 -0.00 -0.00 0.00 -0.03 -0.06 0.02 -0.09 -0.04 -0.01 0.00 0.04 -0.03 0.04 -0.03 -0.05 -0.02 0.00 -0.01 -0.18 -0.15 0.18 0.05 0.04 -0.06 0.01 -0.03 -0.19 0.01 0.00 0.01 -0.01 -0.01 0.01 0.02 0.02 -0.01 -0.19 -0.21 -0.03 0.00 -0.00 0.00 0.00 0.00 -0.00 0.01 0.01 0.00 0.01 0.00 0.00 0.21 -0.19 0.20 -0.11 0.16 -0.06 -0.06 0.11 -0.16 0.32 -0.01 0.17 0.19 -0.18 0.12 0.16 -0.09 0.21 0.01 0.39 -0.27 -0.00 -0.00 -0.00 -0.01 -0.00 -0.00 -0.01 -0.06 0.03 0.02 0.01 0.00 0.01 0.02 -0.00 0.01 0.02 -0.01 0.01 0.02 -0.01 -0.00 0.00 0.01 0.00 -0.00 -0.01 0.01 0.02 -0.00 0.01 0.01 0.00 0.00 -0.01 0.01 0.02 -0.02 0.02 -0.01 -0.01 0.00 -0.04 -0.02 -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 -0.00 -0.00 0.00 -0.04 0.00 -0.02 -0.04 -0.03 -0.00 0.04 0.02 0.01 0.04 0.01 0.01 -0.01 0.02 -0.02 -0.01 -0.00 0.00 0.01 0.00 0.00 0.01 0.07 -0.04 -0.03 -0.01 -0.01 -0.02 0.03 0.01 0.02 -0.02 -0.03 -0.15 -0.04 -0.03 -0.03 -0.02 0.03 0.03 0.02 -0.04 0.00 -0.01 -0.04 -0.01 -0.01 0.01 -0.01 -0.01 0.01 -0.00 -0.00 0.00 -0.03 -0.03 -0.01 -0.33 0.04 -0.13 -0.22 -0.23 0.01 0.28 0.29 -0.01 0.40 -0.03 0.15 0.03 -0.03 0.04 0.17 -0.21 0.13 0.08 -0.16 0.20 -0.34 0.02 -0.17 0.08 -0.08 0.06 0.07 -0.04 0.08 0.00 0.14 -0.10 -0.00 -0.00 -0.00 -0.01 -0.00 -0.00 0.01 0.07 -0.04 -0.02 -0.01 -0.00 -0.01 -0.02 0.00 0.01 0.02 -0.01 0.01 0.02 -0.01 0.01 0.00 -0.02 -0.00 -0.00 0.01 0.01 0.02 -0.00 -0.01 -0.02 -0.00 0.00 -0.01 0.01 0.01 -0.02 0.01 0.01 0.00 -0.00 -0.03 -0.02 -0.00 -0.01 -0.00 0.01 0.00 0.01 -0.00 -0.01 -0.00 0.01 -0.01 -0.01 0.00 0.01 0.01 -0.01 -0.04 0.00 -0.01 -0.03 -0.03 -0.00 0.03 0.02 0.00 0.04 0.01 0.01 0.01 -0.02 0.02 0.01 0.01 -0.00 0.01 0.00 0.00 -0.01 -0.08 0.04 0.04 0.01 0.01 -0.02 0.02 0.04 -0.00 -0.00 0.01 -0.12 -0.04 -0.02 0.02 0.02 -0.02 -0.03 -0.03 0.05 -0.00 0.01 0.06 -0.01 -0.01 0.00 -0.01 -0.01 0.00 -0.01 -0.00 0.00 0.03 0.04 0.01 -0.30 0.03 -0.11 -0.20 -0.20 0.01 0.24 0.26 -0.01 0.36 -0.03 0.14 -0.04 0.04 -0.05 -0.20 0.23 -0.15 -0.09 0.18 -0.23 0.38 -0.03 0.19 -0.09 0.09 -0.07 -0.08 0.05 -0.10 -0.00 -0.17 0.12 -0.00 0.00 -0.00 0.00 0.01 -0.00 -0.00 0.01 -0.01 -0.01 -0.01 0.00 -0.00 0.00 -0.00 -0.03 -0.07 0.03 -0.01 -0.04 0.02 -0.05 -0.03 0.13 0.02 0.02 -0.05 -0.03 -0.08 0.03 -0.02 -0.01 0.06 -0.04 0.03 -0.04 -0.03 0.07 -0.05 -0.00 0.00 0.02 0.13 0.04 0.03 0.01 -0.01 -0.06 -0.00 -0.00 -0.00 0.03 0.02 -0.02 0.02 0.05 -0.02 -0.01 -0.01 0.00 0.01 0.01 0.00 -0.02 -0.02 -0.00 -0.03 0.02 -0.02 -0.00 -0.03 0.01 0.01 -0.01 0.01 0.01 0.01 -0.01 0.02 0.01 0.00 0.00 -0.00 0.00 0.02 0.01 0.00 0.11 -0.11 -0.17 -0.00 0.03 -0.07 0.58 0.16 0.12 0.06 0.05 -0.05 0.16 0.10 -0.24 0.02 -0.03 -0.22 0.06 0.05 -0.00 0.01 -0.00 0.00 0.06 0.04 -0.02 -0.02 -0.02 -0.01 -0.26 0.05 -0.11 -0.27 -0.31 0.01 -0.07 -0.01 -0.02 0.18 -0.05 0.08 -0.03 0.04 -0.02 -0.01 0.01 -0.01 -0.01 0.01 -0.01 -0.00 -0.00 -0.00 -0.04 0.04 -0.03 -0.03 0.02 -0.04 0.00 -0.07 0.05 0.00 -0.00 0.00 -0.02 -0.00 -0.01 -0.01 0.01 -0.01 -0.02 -0.01 -0.00 0.00 0.01 -0.00 0.02 0.04 -0.01 -0.00 0.03 -0.02 -0.07 -0.03 0.20 0.03 0.01 -0.09 0.04 0.04 -0.01 -0.03 -0.02 0.08 0.03 -0.02 0.02 0.04 -0.04 0.04 -0.01 -0.00 0.04 -0.10 -0.03 -0.02 0.01 -0.01 -0.09 -0.01 -0.00 -0.01 0.04 0.03 -0.04 -0.01 -0.03 0.00 -0.01 -0.01 -0.00 -0.01 -0.01 -0.00 0.01 0.01 -0.00 0.03 -0.02 0.02 0.00 0.02 -0.01 0.02 -0.02 0.03 0.02 0.02 -0.01 -0.01 -0.01 -0.00 0.01 0.00 0.00 0.04 0.01 0.01 0.03 0.03 -0.10 0.06 -0.04 -0.20 -0.44 -0.11 -0.10 0.05 0.04 -0.02 0.28 0.19 -0.41 0.03 -0.05 -0.34 -0.02 -0.03 0.01 -0.01 -0.00 0.01 -0.01 -0.00 0.01 -0.05 -0.06 -0.02 0.18 -0.03 0.08 0.19 0.22 -0.00 0.06 0.02 0.01 -0.11 0.04 -0.05 -0.04 0.07 -0.05 -0.02 0.01 -0.02 -0.01 0.01 -0.01 -0.01 -0.00 -0.01 -0.08 0.07 -0.05 -0.07 0.04 -0.09 0.00 -0.14 0.10 -0.00 -0.00 -0.00 -0.03 -0.02 -0.01 0.00 0.03 -0.01 0.12 0.04 0.02 -0.03 -0.03 0.01 0.01 0.01 0.00 -0.00 0.00 -0.00 -0.05 -0.07 -0.03 0.03 0.02 0.01 0.00 -0.00 0.01 -0.09 -0.06 0.07 0.01 0.00 0.00 0.02 0.01 0.00 0.05 0.05 -0.00 -0.01 -0.01 -0.00 0.01 -0.00 -0.01 0.17 0.01 0.06 -0.00 0.00 0.03 -0.00 -0.00 -0.00 0.00 -0.01 -0.04 -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 0.02 -0.03 -0.12 -0.01 -0.05 0.00 -0.00 0.00 -0.00 -0.03 0.01 -0.08 -0.02 -0.02 0.12 -0.20 -0.08 -0.17 0.18 0.07 -0.05 -0.00 -0.02 0.14 0.13 -0.11 0.05 0.06 -0.09 -0.00 -0.01 -0.04 0.00 -0.01 0.00 -0.00 0.00 0.00 0.00 0.01 0.00 0.12 0.13 0.01 0.01 -0.00 0.00 0.02 0.02 -0.00 0.01 0.01 0.00 0.00 0.00 -0.00 -0.39 0.22 -0.27 -0.03 0.07 -0.01 0.01 0.05 -0.06 0.15 -0.01 0.08 0.21 -0.21 0.17 0.19 -0.12 0.23 -0.01 0.29 -0.19 0.00 0.00 0.00 0.05 0.03 0.02 -0.00 0.01 -0.01 0.03 0.01 0.01 -0.00 -0.00 0.00 -0.01 -0.01 -0.00 0.01 0.00 0.00 0.06 0.08 -0.00 -0.05 -0.04 -0.02 0.00 0.01 -0.01 -0.05 -0.04 0.03 -0.02 -0.00 -0.01 -0.03 -0.02 -0.00 -0.02 -0.02 0.01 0.02 0.02 -0.00 -0.03 -0.03 0.01 0.04 -0.01 0.02 -0.01 -0.02 -0.03 0.01 0.01 0.00 0.02 0.02 -0.02 0.01 -0.00 0.01 -0.00 -0.01 0.00 -0.01 -0.00 -0.00 0.00 -0.01 0.00 -0.00 -0.01 0.00 -0.02 0.01 -0.02 -0.00 0.01 -0.00 0.00 -0.01 0.00 -0.01 -0.00 -0.01 -0.33 0.43 0.28 0.34 -0.35 -0.18 0.08 -0.00 0.03 -0.18 -0.15 0.19 0.21 0.16 -0.27 -0.01 0.02 0.09 -0.00 0.01 -0.01 0.00 -0.01 -0.01 -0.01 -0.02 0.00 0.04 0.04 -0.01 -0.01 0.00 -0.00 -0.03 -0.04 0.00 -0.02 -0.02 -0.00 -0.01 -0.01 -0.00 -0.16 0.12 -0.13 -0.01 0.02 -0.01 -0.01 0.01 -0.02 0.02 -0.00 0.01 0.04 -0.04 0.03 0.04 -0.02 0.04 -0.00 0.05 -0.03 -0.00 0.00 -0.00 -0.00 -0.01 -0.00 0.04 -0.06 0.05 -0.17 0.05 -0.10 -0.03 -0.06 0.03 0.01 0.00 0.00 -0.00 0.00 -0.00 0.01 -0.01 -0.09 -0.01 -0.00 0.03 -0.00 0.00 0.00 -0.04 0.03 0.16 0.00 -0.01 0.00 -0.01 -0.00 -0.00 0.04 0.02 -0.06 0.00 -0.01 0.00 0.03 0.01 -0.05 0.18 -0.05 0.09 -0.02 -0.00 0.05 -0.01 -0.00 -0.00 -0.04 -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 -0.16 0.21 -0.19 0.18 -0.01 0.08 0.00 -0.00 0.00 -0.04 -0.01 -0.02 0.06 -0.05 0.06 0.02 -0.04 0.01 -0.10 0.09 0.13 0.01 0.00 0.00 -0.25 -0.20 0.26 0.20 0.17 -0.28 -0.02 -0.01 0.03 0.01 -0.00 0.01 -0.01 -0.01 0.01 0.01 0.00 -0.00 0.11 0.12 0.02 -0.01 0.00 -0.01 0.01 0.01 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.06 0.10 0.00 0.12 -0.04 0.15 0.14 -0.08 0.05 0.20 0.02 0.10 -0.19 0.15 -0.15 -0.18 0.10 -0.18 0.04 -0.13 0.10 0.00 0.00 -0.00 0.01 0.01 -0.00 -0.00 0.00 -0.00 0.01 -0.00 0.00 0.00 0.00 -0.00 0.32 0.06 0.08 -0.14 0.03 -0.07 0.01 0.01 0.00 -0.00 -0.00 -0.00 -0.01 0.06 -0.03 0.00 -0.00 0.00 0.00 -0.08 0.05 -0.15 -0.04 -0.03 -0.00 -0.00 0.00 0.10 -0.14 0.08 -0.00 -0.00 -0.00 -0.01 0.00 -0.01 -0.00 -0.00 -0.00 -0.16 -0.04 -0.05 0.00 0.00 -0.00 -0.04 0.04 -0.03 0.04 0.08 -0.02 0.02 0.08 -0.02 -0.08 0.01 -0.03 0.01 -0.01 0.01 -0.01 0.00 -0.00 0.02 -0.08 0.04 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.01 -0.01 0.01 -0.01 -0.01 0.25 0.01 0.09 -0.01 -0.01 0.02 0.02 0.01 -0.02 0.00 0.00 0.01 0.32 -0.08 0.24 -0.23 -0.28 0.21 0.36 0.10 -0.10 0.00 -0.00 -0.00 -0.28 0.07 -0.13 0.09 0.14 -0.02 -0.14 -0.09 -0.01 0.01 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 0.01 -0.01 0.01 0.01 -0.00 0.01 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.02 -0.00 -0.01 -0.01 0.02 -0.02 0.04 -0.03 0.03 0.01 0.03 -0.01 -0.03 -0.01 -0.01 0.02 0.01 0.00 0.04 0.01 -0.10 -0.01 -0.01 0.04 -0.01 -0.01 0.01 0.03 0.05 0.19 0.01 0.00 0.00 0.02 0.02 -0.00 0.05 0.03 -0.11 -0.00 -0.04 0.02 0.04 0.03 -0.07 -0.10 0.01 -0.07 -0.02 -0.01 0.07 0.01 0.00 0.00 -0.07 -0.08 -0.03 -0.03 0.01 -0.01 0.01 0.02 -0.00 0.02 0.02 -0.00 -0.02 0.01 -0.01 0.06 -0.08 0.08 -0.05 0.02 -0.03 0.01 -0.03 0.02 0.02 0.01 0.01 -0.01 0.02 -0.02 0.12 -0.16 -0.10 -0.11 0.11 0.20 -0.03 0.01 -0.02 -0.41 -0.34 0.43 0.23 0.15 -0.28 -0.02 0.00 0.13 -0.02 0.01 -0.02 0.02 0.02 -0.01 -0.02 -0.00 0.01 0.14 0.16 0.05 0.01 0.00 0.00 0.01 0.02 -0.00 0.01 0.02 -0.00 0.00 0.01 -0.00 0.07 -0.06 0.10 -0.05 0.01 -0.06 -0.07 0.03 -0.02 -0.10 -0.01 -0.05 0.03 -0.02 0.03 0.04 -0.03 0.03 -0.01 -0.02 0.01 0.00 -0.00 0.00 -0.02 -0.00 -0.01 -0.00 0.00 -0.00 0.01 -0.01 0.01 0.00 0.01 -0.00 0.25 0.08 0.05 -0.17 -0.09 -0.01 -0.01 -0.02 -0.04 0.01 0.00 0.01 0.02 0.07 -0.03 0.02 0.03 0.08 0.00 0.05 -0.03 -0.04 -0.07 0.03 0.02 0.02 -0.04 -0.07 0.35 -0.15 0.02 0.02 -0.03 -0.04 0.00 -0.03 -0.01 0.00 0.04 -0.10 -0.06 -0.02 -0.03 -0.04 -0.01 0.22 -0.08 0.10 -0.10 -0.20 0.04 -0.13 -0.20 0.03 0.19 -0.10 0.10 0.02 -0.03 0.03 -0.01 0.01 -0.01 -0.09 0.30 -0.14 0.01 0.00 0.00 -0.00 0.01 -0.01 0.07 -0.09 -0.05 -0.11 0.10 0.08 0.00 -0.07 0.05 -0.12 -0.10 0.12 0.05 0.03 -0.06 -0.01 -0.01 0.01 0.18 -0.07 0.14 -0.12 -0.09 0.12 0.21 0.06 -0.04 0.05 0.05 0.02 0.05 -0.06 0.05 -0.09 -0.21 0.02 -0.02 -0.09 0.03 0.00 -0.08 0.04 0.04 -0.04 0.06 -0.02 0.00 -0.03 -0.02 0.01 -0.00 -0.04 -0.00 -0.02 0.01 -0.00 0.01 0.01 -0.01 0.01 -0.00 -0.01 0.01 -0.00 0.00 -0.00 0.00 0.00 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 -0.03 -0.03 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 -0.01 0.03 -0.02 0.00 -0.01 0.01 -0.00 -0.00 0.00 -0.00 0.06 -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 -0.05 0.01 -0.02 0.03 0.03 -0.00 -0.02 0.00 -0.01 0.01 0.01 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.04 -0.11 0.05 -0.00 0.00 0.00 0.00 -0.00 0.00 0.02 -0.02 -0.02 0.01 -0.01 -0.00 0.04 -0.01 0.02 -0.00 -0.00 0.00 0.01 0.00 -0.01 0.00 0.00 0.01 0.02 -0.01 0.01 -0.01 0.01 0.01 0.02 0.01 0.00 -0.00 -0.00 -0.00 0.44 -0.05 0.17 -0.39 -0.42 0.02 0.30 0.36 -0.03 -0.39 0.07 -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 0.03 0.00 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 0.01 0.01 -0.00 -0.12 -0.12 -0.04 0.02 -0.00 -0.03 0.02 0.01 -0.01 0.02 0.03 0.06 -0.01 -0.02 0.00 -0.03 -0.01 -0.00 0.06 0.04 -0.05 0.01 0.00 0.00 0.08 0.07 -0.07 -0.01 0.01 -0.01 0.01 0.04 0.12 0.00 0.01 0.00 -0.06 -0.06 -0.01 0.00 0.00 -0.00 0.00 0.01 -0.00 -0.01 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.01 0.01 -0.01 -0.00 0.00 0.00 -0.01 0.01 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.41 0.38 0.48 0.12 -0.13 -0.24 0.05 -0.01 0.02 0.12 0.11 -0.14 -0.22 -0.16 0.28 -0.01 -0.06 -0.24 -0.01 0.00 -0.00 0.00 -0.01 -0.00 -0.01 -0.01 -0.00 -0.03 -0.03 0.00 0.01 0.00 0.00 -0.03 -0.04 0.00 0.01 0.02 -0.00 -0.04 0.00 -0.02 0.04 -0.04 0.04 -0.00 0.00 -0.01 -0.00 0.00 -0.00 -0.01 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.02 0.02 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.06 0.12 -0.04 -0.06 -0.18 0.08 -0.00 -0.02 -0.01 -0.03 0.02 0.04 -0.08 -0.03 -0.01 -0.00 -0.00 0.00 -0.00 0.22 -0.13 0.08 -0.04 0.05 0.01 0.01 -0.01 -0.02 -0.00 -0.00 0.02 0.02 -0.01 -0.00 -0.01 0.01 -0.00 0.00 0.03 -0.01 -0.08 0.03 -0.01 -0.01 -0.00 -0.09 -0.05 -0.01 0.09 0.02 0.02 0.12 0.07 0.02 -0.14 -0.02 -0.04 -0.00 0.00 -0.00 0.01 0.00 0.00 -0.00 0.03 -0.01 -0.00 0.00 0.00 0.00 -0.00 0.00 0.09 -0.12 -0.09 0.29 -0.29 -0.27 -0.08 -0.06 0.01 0.01 0.00 -0.01 -0.05 -0.04 0.07 -0.01 -0.02 -0.05 -0.05 0.01 -0.10 0.05 0.14 -0.05 -0.03 0.09 0.06 -0.02 -0.03 -0.01 0.08 -0.07 0.06 -0.02 -0.11 0.04 -0.23 -0.35 0.04 0.42 -0.11 0.18 -0.04 0.04 -0.04 0.00 -0.01 0.00 0.00 -0.00 0.00 0.01 -0.00 -0.00 -0.01 0.01 -0.01 -0.01 0.01 -0.01 0.00 0.01 -0.01 0.00 -0.00 0.00 0.01 -0.03 0.01 0.00 -0.00 0.00 -0.01 -0.01 0.00 -0.02 -0.01 -0.00 0.00 0.04 -0.02 -0.00 -0.02 0.01 -0.02 0.01 0.01 0.05 -0.03 -0.07 0.03 0.00 0.01 -0.02 -0.02 0.01 -0.03 0.02 -0.02 -0.01 -0.03 0.01 -0.00 0.00 0.03 0.01 0.02 -0.00 -0.03 -0.03 0.03 0.05 0.08 -0.03 0.01 -0.00 -0.04 0.00 -0.02 0.01 0.01 0.01 -0.01 -0.02 -0.02 -0.00 0.03 0.01 0.01 0.03 0.02 0.00 -0.04 -0.01 -0.01 0.01 0.01 0.00 -0.03 -0.01 -0.01 -0.00 0.01 -0.00 -0.00 -0.00 -0.00 -0.00 0.01 -0.01 -0.24 0.26 0.26 -0.35 0.35 0.34 0.04 -0.03 0.03 0.04 0.05 -0.02 0.11 0.09 -0.15 0.01 0.03 0.06 -0.04 0.02 -0.06 0.02 0.03 -0.02 -0.04 0.04 0.03 0.08 0.09 0.02 0.02 -0.02 0.02 -0.04 -0.07 0.01 -0.07 -0.10 0.01 0.08 -0.03 0.04 0.32 -0.28 0.31 0.01 -0.00 0.01 0.01 -0.00 0.00 0.01 0.00 0.01 0.02 -0.03 0.05 0.02 -0.05 0.02 -0.02 -0.09 0.04 -0.00 0.00 -0.00 -0.00 0.02 -0.01 0.00 0.00 0.00 -0.01 -0.01 0.00 -0.02 -0.02 -0.00 0.00 -0.02 0.01 -0.00 0.01 -0.01 -0.01 -0.04 -0.02 -0.03 0.03 0.06 -0.03 -0.00 -0.01 -0.05 -0.04 0.01 0.02 -0.01 0.01 0.01 0.02 -0.01 0.01 0.02 0.01 -0.01 -0.01 0.00 -0.01 -0.01 0.03 0.08 0.10 -0.04 0.00 0.00 0.00 -0.00 0.02 -0.01 -0.00 -0.01 -0.02 0.01 0.01 0.00 -0.02 -0.01 -0.00 -0.02 -0.01 -0.00 0.02 0.01 0.00 0.01 0.01 -0.00 -0.04 -0.00 -0.01 0.00 -0.01 0.00 -0.01 -0.00 -0.00 0.00 0.01 -0.01 0.14 -0.19 -0.13 0.32 -0.32 -0.34 -0.04 0.02 -0.02 0.06 0.04 -0.03 0.06 0.05 -0.06 0.01 0.01 0.03 0.03 -0.01 0.04 -0.01 -0.02 0.01 0.03 -0.03 -0.02 0.08 0.09 0.01 -0.01 0.02 -0.01 0.03 0.06 -0.01 0.05 0.06 -0.01 -0.04 0.02 -0.02 0.43 -0.38 0.40 0.01 0.00 0.02 0.02 -0.01 0.00 0.03 0.00 0.01 0.02 -0.04 0.06 0.02 -0.06 0.02 -0.02 -0.10 0.06 -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 -0.00 -0.00 0.02 0.12 -0.06 -0.01 -0.06 0.03 -0.00 0.00 0.00 0.00 -0.01 -0.02 -0.04 -0.10 0.04 0.00 0.00 0.00 0.02 0.07 -0.03 0.00 0.02 -0.01 -0.00 -0.00 0.00 0.01 -0.10 0.04 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.03 -0.12 0.05 0.00 0.00 0.00 0.09 0.06 0.01 -0.11 -0.03 -0.03 -0.10 -0.03 -0.03 0.09 0.06 0.01 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.02 -0.07 0.03 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.08 0.06 0.08 -0.01 0.03 0.06 0.08 0.03 0.01 0.00 0.00 -0.01 0.00 0.00 -0.00 0.00 -0.00 -0.01 0.05 0.22 -0.36 0.09 0.32 -0.19 0.12 0.41 0.12 -0.00 -0.00 -0.00 -0.23 0.11 -0.12 0.17 0.29 -0.05 0.12 0.24 -0.04 -0.19 0.11 -0.10 -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 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.02 0.00 -0.01 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.03 0.00 -0.01 0.03 0.06 -0.02 0.00 -0.00 -0.00 -0.01 0.01 0.02 0.07 -0.00 0.03 -0.00 -0.00 -0.00 -0.04 -0.11 0.05 -0.03 0.00 -0.01 0.00 0.00 -0.00 0.01 0.05 -0.02 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.05 -0.08 0.04 -0.00 -0.00 -0.00 -0.03 -0.03 -0.00 0.06 0.03 0.01 0.04 0.01 0.01 -0.03 -0.04 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 -0.00 -0.00 0.00 0.08 -0.03 -0.09 0.04 -0.06 -0.11 0.01 0.01 -0.00 -0.00 -0.01 0.01 -0.01 -0.00 0.01 -0.00 -0.00 0.00 0.19 0.22 -0.26 0.12 0.42 -0.37 0.45 0.38 0.05 0.00 0.00 0.00 0.07 -0.05 0.04 -0.12 -0.17 0.02 -0.07 -0.12 0.02 0.02 -0.05 0.03 0.01 -0.01 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 0.01 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.03 -0.00 0.01 -0.01 0.01 -0.01 0.01 -0.01 0.01 -0.01 -0.01 0.00 -0.01 -0.04 0.03 -0.02 -0.02 0.00 -0.03 -0.02 0.02 0.02 0.00 -0.03 -0.07 0.00 -0.03 0.02 0.01 -0.03 0.12 0.04 0.02 -0.02 0.03 -0.02 0.02 0.02 0.01 -0.02 -0.00 -0.01 0.00 0.01 0.03 -0.02 0.01 -0.01 0.01 -0.00 -0.05 -0.02 0.03 0.02 -0.04 -0.04 0.00 -0.05 0.01 -0.02 -0.02 -0.04 0.01 0.00 -0.04 0.01 -0.02 0.02 -0.02 0.02 -0.00 0.01 -0.00 -0.02 0.01 0.03 0.02 0.00 -0.02 0.01 -0.01 -0.00 -0.02 0.02 -0.09 -0.00 0.12 0.01 0.03 0.08 0.07 0.05 -0.00 -0.02 -0.00 0.06 0.05 0.05 -0.02 0.02 0.07 0.18 -0.08 -0.13 0.18 0.06 0.08 -0.44 0.48 -0.14 -0.11 0.12 0.15 0.07 0.17 -0.01 0.06 0.11 0.10 -0.00 0.12 0.09 0.01 0.15 0.00 0.05 -0.05 0.02 -0.04 0.09 -0.06 0.11 0.11 -0.08 0.06 0.17 0.03 0.06 0.03 0.10 -0.18 -0.03 0.20 -0.04 0.04 0.12 -0.09 0.00 0.00 0.00 -0.02 0.00 -0.01 -0.00 0.00 -0.00 0.02 -0.01 0.02 -0.01 -0.01 0.00 0.01 0.03 -0.02 0.01 0.01 -0.00 -0.05 -0.05 0.04 0.01 0.01 0.01 0.05 -0.00 0.02 0.02 0.01 -0.06 -0.08 -0.02 -0.02 0.02 -0.02 0.02 0.04 0.04 0.01 0.01 0.00 0.00 0.01 0.02 0.05 -0.02 0.02 -0.01 0.02 -0.00 -0.07 0.02 -0.01 -0.01 -0.07 -0.07 -0.00 0.03 -0.01 0.01 0.01 0.02 -0.01 -0.00 0.03 -0.01 0.02 -0.01 0.01 0.02 0.00 0.01 -0.01 -0.03 0.02 -0.02 -0.01 -0.00 -0.02 0.01 -0.01 -0.01 -0.04 0.03 0.04 0.03 -0.04 0.01 -0.04 -0.18 -0.04 -0.03 0.00 -0.05 -0.02 0.12 0.08 0.07 -0.01 0.04 0.11 0.31 0.01 0.06 -0.11 -0.04 -0.08 0.23 -0.27 0.08 0.06 0.22 0.26 0.12 -0.11 0.01 -0.04 -0.07 -0.06 -0.00 -0.08 -0.06 -0.01 -0.10 0.00 -0.04 -0.07 0.01 -0.05 0.05 -0.09 0.06 0.04 -0.07 0.07 0.15 0.03 0.05 0.04 0.18 -0.32 -0.07 0.36 -0.08 0.07 0.23 -0.17 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.03 0.02 -0.03 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 0.02 -0.01 -0.00 -0.00 -0.00 -0.00 -0.01 0.00 -0.01 -0.00 0.02 0.02 -0.01 0.01 -0.01 0.01 -0.01 -0.01 -0.01 -0.01 -0.00 0.01 -0.00 -0.00 -0.00 -0.02 -0.02 -0.01 -0.01 -0.01 -0.00 0.02 0.00 -0.01 -0.01 0.02 0.02 0.00 -0.01 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.01 0.00 -0.01 -0.00 -0.00 0.05 -0.02 0.03 -0.00 0.01 -0.01 0.00 0.01 -0.00 -0.07 0.03 -0.05 -0.00 0.01 -0.01 -0.00 -0.02 -0.00 0.01 0.00 0.04 0.02 0.01 -0.00 0.00 -0.01 -0.02 -0.03 -0.03 0.02 -0.01 -0.03 -0.09 0.14 0.07 -0.05 -0.01 0.07 0.20 -0.16 0.05 0.03 -0.07 -0.08 -0.04 0.04 -0.01 0.01 0.01 0.00 0.00 0.01 0.01 0.00 0.03 -0.00 0.01 0.00 0.01 -0.00 0.25 -0.23 0.31 0.30 -0.28 0.23 0.56 0.13 0.23 0.03 -0.05 0.07 0.04 -0.07 0.04 -0.03 -0.08 0.06 -0.00 -0.00 0.00 0.02 0.00 0.01 0.01 -0.01 0.01 0.00 -0.00 0.00 0.00 0.00 0.00 -0.01 -0.02 -0.01 -0.01 0.00 -0.01 -0.01 -0.01 0.00 0.00 0.00 -0.01 -0.04 -0.03 -0.00 0.00 0.00 -0.01 0.11 -0.01 0.05 -0.04 0.04 -0.04 0.00 0.00 0.00 -0.02 0.01 -0.01 -0.00 0.00 0.01 0.00 0.00 -0.00 0.00 0.00 -0.01 -0.01 -0.03 -0.03 -0.01 -0.01 -0.00 -0.06 0.01 -0.02 0.00 -0.03 0.01 0.01 -0.04 0.02 -0.03 0.01 -0.01 -0.01 0.01 -0.01 -0.00 -0.01 0.00 0.02 0.03 -0.01 0.02 -0.01 0.02 -0.00 -0.01 0.01 -0.05 -0.01 0.06 0.03 0.00 0.05 0.09 0.06 -0.00 0.00 0.00 0.01 0.02 0.01 -0.01 0.01 0.01 0.04 0.47 0.19 -0.09 -0.02 0.28 0.50 -0.34 0.11 0.07 0.03 0.04 0.02 0.20 -0.03 0.08 0.07 0.05 0.01 0.11 0.06 0.02 0.16 -0.02 0.06 -0.01 -0.00 -0.00 -0.05 0.06 -0.06 -0.08 0.14 -0.13 -0.16 -0.08 -0.14 0.00 0.03 -0.06 -0.02 0.06 -0.02 0.01 0.05 -0.04 -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 -0.00 -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 -0.01 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.03 -0.02 -0.04 -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 0.00 0.00 0.04 0.01 -0.00 -0.00 0.03 0.04 -0.02 0.01 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 0.02 -0.00 0.01 -0.00 -0.00 0.00 -0.19 0.38 -0.25 0.07 -0.35 0.33 -0.30 0.30 0.57 0.00 0.01 -0.01 -0.00 0.01 -0.00 0.00 0.01 -0.01 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.01 -0.02 0.02 -0.01 -0.01 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.04 0.03 -0.04 -0.01 -0.01 0.01 0.00 0.00 -0.00 -0.02 -0.01 0.06 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.03 -0.04 -0.00 0.00 -0.00 0.00 -0.02 -0.03 -0.03 0.01 0.04 -0.03 -0.01 0.01 0.07 -0.00 0.00 0.00 0.06 0.06 -0.01 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.01 0.01 0.00 -0.03 -0.01 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.02 -0.05 0.04 0.01 -0.01 -0.01 -0.02 0.02 0.07 -0.00 -0.00 -0.00 0.07 0.04 -0.13 -0.02 -0.03 -0.04 -0.03 -0.10 -0.28 -0.02 -0.01 0.01 0.00 -0.01 -0.02 0.02 -0.01 -0.00 -0.15 -0.19 -0.11 -0.01 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.03 -0.06 0.06 -0.02 -0.02 -0.02 -0.04 0.01 -0.00 -0.01 -0.01 -0.01 0.26 0.21 -0.46 -0.03 0.60 -0.07 0.08 0.12 -0.21 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.01 -0.01 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.01 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.01 0.00 0.00 0.00 0.00 0.00 0.00 -0.01 -0.01 0.00 -0.00 -0.00 0.00 -0.01 -0.01 -0.00 0.00 0.01 -0.01 -0.00 0.00 0.01 -0.00 0.00 0.00 0.01 0.01 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.01 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.02 -0.04 -0.03 -0.00 -0.00 0.00 -0.00 0.00 0.01 0.00 0.00 -0.00 0.01 0.01 -0.02 0.00 0.00 -0.01 -0.00 -0.01 -0.04 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.02 -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 0.01 -0.02 0.02 -0.00 -0.01 -0.01 -0.01 -0.00 0.01 0.01 0.00 0.00 -0.48 0.23 -0.24 0.29 -0.09 0.22 -0.15 0.51 0.47 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 -0.03 -0.05 0.01 0.02 -0.01 0.01 -0.00 0.00 0.00 0.01 0.00 -0.01 -0.03 0.07 -0.05 0.00 0.00 -0.00 -0.06 0.04 -0.05 0.06 -0.03 0.04 -0.00 -0.00 0.00 0.00 -0.02 0.01 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.04 -0.00 -0.02 -0.00 -0.00 -0.00 0.05 -0.00 0.02 -0.01 0.02 -0.01 -0.01 0.03 -0.01 0.03 0.00 0.01 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.01 -0.03 0.01 0.01 0.01 0.00 0.00 -0.00 0.00 -0.03 -0.04 0.05 0.00 0.03 0.08 -0.13 -0.06 -0.01 0.00 0.00 -0.00 0.01 0.01 -0.01 0.00 0.00 0.00 0.53 -0.05 0.31 0.07 0.56 0.10 0.17 -0.28 -0.10 0.01 0.01 0.00 -0.16 0.02 -0.06 -0.04 -0.01 -0.01 -0.08 -0.04 -0.01 -0.11 0.02 -0.05 -0.00 0.00 -0.00 -0.05 -0.12 -0.07 -0.12 -0.03 0.06 0.06 0.01 0.01 -0.02 -0.00 0.01 -0.03 -0.01 -0.02 0.01 0.02 -0.02 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.03 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 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.01 -0.01 0.00 -0.00 0.00 -0.00 0.00 0.01 0.01 -0.00 0.00 -0.00 0.00 0.01 0.01 0.00 -0.00 -0.02 0.01 0.00 -0.00 -0.01 -0.00 -0.00 -0.00 -0.01 -0.01 0.01 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.01 0.00 -0.00 0.02 0.01 0.00 -0.00 -0.00 0.00 -0.00 -0.01 0.00 -0.05 0.00 -0.03 0.00 0.00 -0.00 0.00 -0.00 -0.01 -0.01 -0.00 -0.00 -0.02 -0.01 0.03 -0.01 -0.00 0.02 0.00 0.02 0.06 0.03 -0.00 0.02 0.00 0.04 0.01 0.01 -0.02 -0.01 0.02 0.03 0.02 -0.01 0.00 -0.00 -0.00 -0.00 -0.00 -0.01 -0.00 -0.00 -0.01 0.00 -0.00 -0.01 0.04 -0.03 0.02 0.09 0.04 0.07 0.04 -0.05 -0.06 -0.01 -0.02 0.45 -0.01 -0.17 0.46 0.24 0.35 -0.18 -0.37 0.39 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 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.01 -0.01 -0.00 -0.00 0.00 -0.02 0.01 -0.01 0.01 -0.01 0.01 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.01 0.00 -0.00 -0.00 -0.00 0.00 -0.01 -0.00 -0.00 0.00 0.00 0.00 0.01 -0.00 0.00 -0.00 0.01 -0.00 -0.00 0.01 -0.00 0.01 -0.00 0.00 0.01 -0.01 0.01 -0.01 0.00 -0.00 -0.00 -0.01 0.00 -0.04 -0.04 -0.00 0.01 -0.00 0.01 0.00 -0.00 -0.00 -0.01 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 -0.01 0.07 -0.01 0.04 0.01 0.07 0.01 0.02 -0.04 -0.01 -0.01 -0.01 -0.00 -0.04 0.00 -0.01 -0.01 -0.01 -0.00 -0.02 -0.01 -0.00 -0.03 0.00 -0.01 0.01 -0.01 0.01 0.25 0.53 0.35 0.58 0.15 -0.26 -0.22 -0.03 -0.04 -0.07 0.02 -0.00 -0.07 -0.01 -0.05 0.03 0.08 -0.06 -0.00 0.00 -0.00 0.01 -0.01 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.01 -0.01 -0.00 -0.00 -0.01 0.01 0.01 -0.00 -0.01 0.01 -0.04 0.07 0.01 0.01 -0.00 0.00 0.00 0.00 0.02 0.02 -0.01 -0.02 -0.01 -0.00 -0.00 -0.00 0.00 0.01 -0.00 0.00 -0.00 -0.00 0.01 -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 -0.01 -0.01 0.00 -0.01 -0.01 0.00 -0.01 0.01 -0.01 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.01 -0.00 0.01 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.24 0.57 -0.31 -0.46 0.12 -0.50 0.05 -0.01 0.02 0.00 0.00 -0.01 0.01 0.01 -0.02 0.00 -0.01 -0.02 0.06 -0.02 0.05 0.01 0.07 0.00 0.02 -0.06 -0.02 0.00 0.00 -0.01 0.03 0.01 0.01 0.05 0.05 -0.00 0.04 0.04 -0.00 0.05 0.01 0.02 0.00 -0.00 -0.00 0.00 -0.01 0.00 0.00 -0.01 0.01 0.01 0.00 0.00 -0.00 -0.01 0.01 0.00 -0.01 0.00 -0.00 -0.01 0.00 0.00 -0.00 0.00 -0.00 0.02 -0.01 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.19 -0.10 0.01 0.02 -0.01 0.00 0.00 0.01 -0.01 -0.00 -0.00 0.02 -0.18 0.10 -0.01 -0.01 -0.00 -0.02 -0.09 0.05 -0.00 0.06 -0.04 0.01 0.01 -0.01 0.01 0.02 -0.00 0.01 0.01 -0.01 0.01 0.00 -0.00 -0.00 -0.01 -0.00 -0.01 -0.01 0.00 0.00 0.00 0.01 -0.02 -0.00 -0.01 0.01 0.01 0.00 0.01 -0.01 0.01 0.00 -0.02 0.01 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.01 0.03 -0.01 0.00 0.00 0.00 0.00 -0.00 0.00 -0.01 0.03 -0.01 0.02 -0.03 -0.03 0.07 0.08 -0.02 -0.03 -0.02 0.03 -0.03 -0.02 0.03 -0.01 -0.00 0.02 0.05 -0.35 0.50 0.05 0.23 -0.00 -0.03 -0.65 -0.12 -0.02 -0.02 0.00 0.06 -0.02 0.02 -0.03 -0.04 0.00 0.01 -0.02 0.01 -0.00 -0.02 0.01 0.01 -0.01 0.01 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.01 -0.00 0.00 0.00 0.00 0.00 -0.01 0.01 -0.01 -0.01 -0.00 -0.01 -0.01 0.01 -0.00 -0.01 0.00 0.01 0.05 0.15 -0.00 -0.01 -0.03 0.02 0.03 -0.01 -0.12 -0.12 -0.03 -0.00 0.02 -0.01 -0.01 -0.02 0.01 0.09 0.07 -0.11 0.01 0.00 0.00 0.09 0.06 -0.12 0.06 0.04 0.01 -0.06 -0.07 -0.04 0.00 0.00 -0.00 0.03 0.05 0.09 0.00 0.01 -0.00 -0.01 -0.01 0.00 -0.01 -0.01 -0.00 -0.01 0.01 -0.01 -0.00 0.01 -0.00 -0.03 0.01 -0.02 0.01 -0.00 0.01 0.00 -0.00 0.00 0.00 -0.01 0.01 0.05 0.03 -0.10 -0.07 0.06 0.05 0.02 -0.02 0.02 -0.32 -0.25 0.38 -0.34 -0.26 0.37 -0.06 -0.01 0.24 0.01 0.02 -0.02 0.00 0.01 -0.00 0.00 0.02 0.00 -0.21 -0.22 0.01 0.02 0.01 0.00 0.04 0.04 0.00 0.03 0.03 -0.00 0.04 0.00 0.01 0.11 -0.10 0.10 -0.02 -0.01 -0.02 -0.03 0.01 -0.00 -0.01 -0.00 -0.00 -0.03 0.04 -0.06 -0.03 0.05 -0.02 0.02 0.06 -0.03 -0.00 -0.00 -0.00 -0.05 -0.00 -0.02 -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 0.00 -0.01 -0.02 -0.01 0.02 0.00 0.17 0.07 0.02 0.01 0.01 0.00 -0.16 0.00 -0.06 -0.03 -0.09 0.04 -0.01 -0.01 0.01 0.15 0.04 0.04 -0.01 -0.00 0.01 -0.01 -0.00 0.00 0.01 0.01 0.01 0.00 -0.01 0.00 -0.01 -0.01 -0.01 -0.01 0.06 -0.02 -0.01 -0.08 0.03 -0.12 -0.13 0.00 -0.16 0.05 -0.07 0.00 -0.00 0.00 0.00 -0.00 0.00 0.12 0.02 0.04 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.22 0.01 0.17 -0.08 0.07 -0.02 -0.11 0.06 0.04 0.02 -0.04 0.03 0.03 -0.04 0.01 0.00 -0.03 0.04 -0.04 0.07 0.03 0.09 -0.00 -0.01 -0.10 -0.01 0.03 0.03 0.00 0.26 0.04 0.07 0.33 0.28 0.02 0.29 0.33 -0.02 0.41 -0.02 0.15 -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 0.00 0.00 0.00 -0.00 -0.08 -0.00 -0.03 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.11 0.01 -0.05 -0.03 -0.07 0.03 0.01 -0.00 -0.01 -0.02 0.03 0.01 0.35 0.09 0.08 0.00 0.00 -0.00 0.21 0.14 -0.00 -0.29 -0.12 -0.04 -0.01 -0.01 0.00 -0.11 -0.01 -0.03 -0.00 0.00 0.01 -0.00 -0.00 0.00 0.01 0.01 0.01 0.02 0.01 0.01 -0.01 -0.01 -0.01 0.01 -0.04 0.02 -0.05 -0.03 -0.01 0.08 0.11 -0.01 0.08 0.03 0.02 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.04 -0.09 0.02 0.00 0.00 0.00 -0.00 0.00 -0.00 0.03 -0.26 -0.03 0.20 -0.11 0.04 0.47 -0.03 0.21 0.02 0.01 -0.03 0.02 0.02 -0.01 0.01 -0.00 -0.02 0.04 -0.08 0.13 0.06 0.16 -0.01 -0.05 -0.22 -0.03 0.02 0.02 0.00 -0.18 -0.02 -0.05 -0.04 -0.02 -0.01 -0.17 -0.15 -0.00 -0.14 0.06 -0.07 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 -0.00 -0.00 -0.00 -0.02 0.01 0.01 0.02 -0.01 -0.12 -0.11 0.01 0.00 -0.00 0.00 0.00 -0.00 0.00 0.10 0.15 0.16 -0.01 -0.02 -0.03 -0.00 -0.00 -0.00 -0.07 -0.13 -0.19 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.01 -0.04 -0.14 0.00 -0.00 0.00 0.01 0.04 0.10 -0.05 0.16 -0.11 0.04 0.11 0.28 -0.00 0.00 -0.00 -0.10 -0.14 -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 0.21 0.17 -0.01 0.06 -0.16 0.13 -0.00 0.00 -0.00 0.01 0.00 0.00 -0.02 0.02 -0.02 0.04 0.00 -0.09 -0.05 0.06 0.15 -0.00 -0.00 -0.00 -0.10 -0.12 -0.06 0.10 0.10 0.02 0.01 -0.08 -0.38 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.18 0.18 -0.04 0.00 0.00 0.00 -0.01 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.30 0.09 -0.20 -0.03 0.03 -0.05 -0.05 0.04 -0.03 -0.12 -0.02 -0.05 0.01 -0.08 0.14 0.05 -0.15 0.05 -0.04 -0.05 0.02 -0.00 0.00 -0.00 0.02 0.00 0.01 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.02 -0.02 0.00 0.02 0.01 0.00 -0.01 0.03 -0.02 -0.01 -0.01 -0.01 0.00 -0.00 0.00 -0.07 -0.05 0.00 0.00 0.01 0.02 0.02 -0.10 0.06 0.04 0.06 -0.02 0.01 0.01 0.00 -0.09 0.32 -0.15 -0.01 -0.01 -0.01 -0.01 0.02 -0.02 -0.01 -0.01 -0.02 -0.01 0.00 -0.00 0.01 0.02 0.01 0.16 -0.15 0.11 -0.04 -0.23 0.07 0.02 0.22 -0.07 -0.15 0.17 -0.11 0.03 0.03 -0.00 0.01 -0.02 0.02 0.10 -0.31 0.15 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.01 0.04 0.01 -0.02 0.00 -0.02 -0.09 0.05 -0.07 -0.00 0.00 0.01 -0.01 -0.01 -0.01 -0.00 0.00 0.02 -0.01 0.01 -0.01 -0.02 -0.04 0.01 0.00 0.02 -0.00 -0.02 -0.02 -0.00 -0.29 -0.11 -0.06 0.34 0.16 0.06 -0.28 -0.08 -0.07 0.29 0.13 0.06 -0.04 0.02 -0.03 -0.01 0.01 -0.01 -0.01 0.01 -0.00 -0.02 -0.00 -0.01 0.00 -0.01 0.02 0.01 -0.02 0.01 -0.01 -0.01 0.00 0.00 -0.00 0.00 -0.01 0.00 -0.00 -0.01 -0.03 0.01 0.01 0.02 -0.01 -0.16 -0.14 0.02 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.10 -0.13 -0.11 0.01 0.01 0.02 0.02 0.01 0.00 0.05 0.07 0.17 0.00 0.01 -0.01 -0.01 -0.01 0.00 0.04 0.06 0.07 0.01 -0.03 0.01 -0.05 -0.07 -0.07 -0.10 0.12 -0.14 -0.05 -0.10 -0.19 0.00 -0.00 0.00 0.13 0.16 0.11 -0.02 0.01 -0.01 0.00 0.02 -0.01 -0.00 -0.02 0.01 0.01 -0.02 0.01 0.28 0.22 -0.01 0.07 -0.15 0.13 -0.01 0.03 -0.01 0.02 0.00 0.01 -0.02 0.03 -0.02 -0.03 0.00 0.07 0.05 -0.07 -0.15 0.02 -0.01 0.01 0.02 0.04 0.11 -0.06 -0.09 -0.06 -0.04 0.02 0.27 0.00 -0.00 0.00 0.00 0.01 0.00 -0.00 -0.01 -0.00 -0.20 -0.22 -0.02 0.03 0.01 0.01 -0.03 -0.02 -0.01 0.03 0.01 0.01 -0.03 -0.01 -0.01 -0.35 0.16 -0.22 -0.04 0.04 -0.06 -0.06 0.06 -0.03 -0.16 -0.02 -0.07 0.02 -0.09 0.15 0.05 -0.15 0.05 -0.04 -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 -0.02 -0.00 -0.01 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.01 0.01 0.00 0.00 -0.00 0.10 0.02 0.03 -0.03 0.01 -0.01 0.00 0.00 -0.00 -0.25 -0.09 -0.05 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.30 0.02 0.09 0.25 0.19 0.02 -0.21 -0.13 -0.03 -0.23 -0.04 -0.06 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.09 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 0.07 0.03 0.02 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.01 -0.01 0.01 0.00 0.00 0.00 -0.01 -0.02 -0.00 -0.00 -0.00 -0.00 -0.40 0.12 -0.18 -0.29 -0.40 0.05 0.09 0.23 -0.05 0.19 -0.11 0.11 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 0.01 -0.00 0.00 -0.03 -0.02 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.16 0.14 -0.10 -0.02 -0.02 0.01 -0.00 -0.00 -0.00 -0.12 -0.09 0.14 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.19 -0.15 0.24 -0.00 0.00 -0.00 0.21 0.17 -0.20 0.01 0.04 -0.03 0.09 0.05 -0.18 -0.00 0.00 -0.00 -0.17 -0.16 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 0.05 0.03 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 0.03 0.02 -0.05 -0.03 0.01 0.09 -0.00 0.00 -0.00 0.27 0.21 -0.29 -0.23 -0.16 0.33 0.12 0.16 0.15 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.13 0.19 0.21 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.02 -0.00 0.00 -0.00 0.00 -0.01 -0.01 0.01 -0.00 -0.02 -0.00 -0.01 -0.00 -0.01 0.02 0.00 -0.02 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.04 0.01 0.01 -0.02 0.05 -0.04 0.17 0.16 -0.03 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.01 -0.01 -0.02 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.02 -0.04 0.06 -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 -0.02 -0.02 0.01 0.34 -0.22 -0.01 -0.01 -0.02 0.00 0.00 -0.00 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 -0.31 -0.26 0.03 0.14 -0.31 0.26 0.00 0.00 0.00 -0.03 -0.00 -0.01 -0.02 0.01 -0.02 -0.00 -0.01 0.01 0.01 -0.01 0.01 -0.00 -0.00 0.00 0.01 0.00 0.01 -0.00 -0.03 -0.02 -0.01 -0.00 0.02 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.03 -0.04 -0.01 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.50 0.11 -0.26 0.04 -0.03 0.08 0.08 -0.06 0.03 0.14 0.02 0.06 0.02 -0.08 0.11 0.04 -0.12 0.05 -0.04 -0.03 0.01 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.01 -0.04 0.02 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 -0.01 -0.02 0.01 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.12 0.54 0.35 0.41 -0.07 -0.49 -0.37 0.00 -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 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 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 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.21 0.61 0.44 0.39 -0.09 0.05 -0.07 0.09 -0.47 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 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 -0.03 -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 0.38 0.01 -0.33 0.05 0.53 0.50 -0.02 -0.41 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 -0.02 0.03 -0.05 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.62 0.06 0.49 -0.34 -0.49 0.12 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 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -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 -0.08 -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 0.15 0.57 0.37 -0.46 0.07 0.53 0.02 -0.01 -0.01 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.03 -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 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.16 0.47 0.33 -0.31 0.06 -0.06 0.13 -0.15 0.70 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 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 0.06 -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 0.48 0.04 -0.41 -0.05 -0.48 -0.44 -0.03 -0.35 0.18 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.08 -0.06 -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 0.46 0.04 0.37 0.43 0.64 -0.18 -0.00 -0.01 0.00 -0.03 -0.04 -0.06 -0.01 -0.01 -0.01 0.02 0.02 -0.01 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.01 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 -0.00 0.00 0.00 -0.00 -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 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -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 -0.09 -0.01 -0.02 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.11 -0.11 0.03 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.04 0.21 0.14 0.16 -0.04 -0.21 0.86 -0.00 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 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.01 0.01 0.01 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.01 -0.01 0.00 -0.08 0.03 -0.04 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.01 -0.00 -0.01 -0.01 -0.01 0.00 -0.00 0.00 -0.00 -0.07 -0.10 -0.13 -0.01 -0.02 -0.02 0.07 0.07 -0.02 0.02 -0.10 -0.08 0.81 -0.18 0.11 0.07 -0.09 0.46 -0.02 -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 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -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 -0.03 -0.04 -0.05 0.00 -0.00 -0.00 -0.01 -0.01 -0.01 0.00 -0.00 -0.00 0.03 0.03 -0.01 -0.02 0.01 -0.01 -0.01 -0.00 0.03 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.05 0.00 0.04 0.03 0.04 -0.01 -0.00 -0.00 0.00 0.29 0.43 0.54 0.07 0.11 0.13 -0.35 -0.33 0.11 0.01 -0.02 -0.02 0.18 -0.04 0.03 0.02 -0.02 0.10 0.10 0.03 -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 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -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 0.06 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 -0.05 -0.05 0.01 0.44 0.01 -0.38 -0.00 0.06 0.07 0.04 0.72 -0.34 -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 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.06 -0.06 0.02 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.01 -0.00 -0.00 0.00 0.00 0.00 0.01 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 0.69 0.68 -0.18 0.03 0.00 -0.03 0.00 0.00 0.01 0.00 0.05 -0.02 0.01 0.05 0.03 0.04 -0.01 -0.05 0.13 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 -0.02 -0.02 -0.03 0.00 0.00 -0.00 0.02 0.03 0.04 -0.00 0.00 0.00 -0.01 -0.01 0.01 -0.00 0.00 -0.00 0.02 0.00 -0.05 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.01 0.00 0.01 0.00 0.01 -0.00 -0.00 -0.00 0.00 0.19 0.28 0.35 -0.22 -0.33 -0.41 0.08 0.08 -0.03 0.00 -0.00 -0.00 0.02 -0.00 0.00 0.00 -0.00 0.01 -0.20 -0.06 0.62 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -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 0.00 0.00 -0.02 -0.03 -0.04 0.00 0.00 -0.00 -0.04 -0.04 0.01 -0.00 0.00 -0.00 0.01 0.00 -0.02 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.01 0.00 0.01 0.00 0.01 -0.00 -0.00 -0.00 0.00 0.13 0.19 0.24 0.26 0.39 0.48 0.43 0.41 -0.14 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.07 -0.02 0.22 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -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 -0.04 0.04 -0.03 -0.02 0.02 -0.01 -0.01 -0.05 0.01 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.02 -0.01 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.06 0.26 -0.07 0.47 -0.41 0.30 0.19 -0.16 0.13 0.13 0.56 -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 -0.00 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 -0.02 -0.02 -0.03 0.00 0.00 -0.00 0.04 0.04 -0.01 0.00 -0.00 0.00 0.02 0.00 -0.06 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.08 -0.13 -0.16 0.17 0.25 0.30 -0.41 -0.40 0.13 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.20 -0.06 0.61 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 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 0.01 0.02 -0.02 0.01 -0.04 0.03 -0.03 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 -0.01 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 0.14 0.60 -0.17 -0.20 0.18 -0.13 0.45 -0.39 0.29 -0.06 -0.24 0.07 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.01 -0.03 0.01 0.03 -0.03 0.02 0.02 -0.02 0.01 -0.01 -0.05 0.01 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.02 0.01 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.09 0.36 -0.10 -0.38 0.33 -0.24 -0.25 0.21 -0.16 0.15 0.60 -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 -0.00 -0.00 0.00 -0.01 -0.05 0.01 -0.02 0.02 -0.01 0.04 -0.03 0.02 0.01 0.03 -0.01 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.01 -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 0.14 0.57 -0.16 0.23 -0.20 0.15 -0.40 0.34 -0.26 -0.09 -0.37 0.10 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.08 0.04 -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 0.01 0.01 -0.00 0.02 0.87 -0.49 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.03 0.02 -0.02 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 17 8 8 8 8 7 7 6 6 6 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 1 298.150 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 50 17 8 8 8 8 7 7 6 6 6 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 34.96885 15.99491 15.99491 15.99491 15.99491 14.00307 14.00307 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 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 412.11899 0.99998 -0.00529 0.00306 0.00544 0.99874 -0.04995 -0.00279 0.04997 0.99875 asymmetric 1 0.01289 0.00460 0.00412 0.26850 0.09578 0.08583 1027042.8 14.12 26.87 40.58 49.18 59.69 84.00 86.12 98.38 108.68 119.79 131.71 153.29 170.95 184.34 204.03 215.63 241.10 259.74 261.31 287.13 332.98 362.57 398.32 402.04 438.59 446.09 458.76 462.90 514.13 544.16 549.50 586.00 591.89 596.37 628.31 693.95 704.33 747.73 755.85 826.38 834.13 871.10 902.88 907.12 926.45 991.28 1009.91 1041.60 1045.48 1054.23 1090.81 1114.43 1120.68 1134.11 1150.54 1152.93 1200.47 1205.29 1226.15 1285.44 1320.90 1350.46 1374.77 1393.20 1401.67 1406.86 1422.96 1431.39 1440.49 1450.90 1471.96 1513.20 1522.70 1539.85 1572.01 1588.08 1606.20 1642.11 1643.07 1646.37 1680.08 1685.33 1700.89 1706.02 1722.02 1736.28 1736.53 1755.64 1757.54 1812.76 1841.71 1855.08 1865.18 1883.96 1885.62 1911.73 1925.47 1988.74 2013.31 2021.55 2063.86 2091.31 2109.78 2109.88 2112.87 2114.46 2115.61 2121.81 2126.66 2129.40 2131.31 2133.15 2153.08 2184.64 2187.66 2207.70 2248.35 2309.52 2312.22 2314.57 2347.49 2357.28 2422.62 4376.21 4393.60 4400.95 4462.42 4490.39 4500.42 4522.14 4542.95 4549.00 4552.07 4553.46 4559.28 4561.16 4564.10 4579.05 4592.80 4594.00 4594.88 4612.00 4614.32 4702.28 0.391180 0.418770 0.419714 0.329180 -1721.594903 -1721.567313 -1721.566368 -1721.656902 262.782 101.972 190.545 0.000 0.000 0.000 0.889 2.981 43.939 0.889 2.981 36.230 261.005 96.011 110.375 1 0.593 1.987 8.048 2 0.593 1.986 6.771 3 0.593 1.984 5.952 4 0.594 1.983 5.570 5 0.594 1.981 5.187 6 0.596 1.974 4.511 7 0.597 1.973 4.462 8 0.598 1.969 4.199 9 0.599 1.965 4.004 10 0.600 1.961 3.813 11 0.602 1.955 3.627 12 0.605 1.944 3.331 13 0.609 1.934 3.119 14 0.611 1.925 2.974 15 0.615 1.911 2.779 16 0.618 1.903 2.674 17 0.624 1.882 2.463 18 0.629 1.866 2.323 19 0.630 1.865 2.312 20 0.638 1.840 2.137 21 0.653 1.793 1.868 22 0.664 1.759 1.717 23 0.678 1.716 1.553 24 0.680 1.712 1.537 25 0.696 1.665 1.390 26 0.699 1.655 1.362 27 0.705 1.638 1.316 28 0.707 1.632 1.301 29 0.733 1.560 1.134 30 0.748 1.517 1.046 31 0.751 1.509 1.032 32 0.772 1.454 0.936 33 0.775 1.446 0.922 34 0.778 1.439 0.911 35 0.797 1.390 0.837 36 0.839 1.289 0.704 37 0.845 1.273 0.685 38 0.875 1.206 0.611 39 0.880 1.194 0.598 40 0.931 1.087 0.496 41 0.936 1.075 0.486 42 0.964 1.020 0.440 0.329532e+29 28.517897 65.664885 0.542434e+13 12.734347 29.321917 0.100000e+01 0.000000 0.000000 0.328842e+09 8.516988 19.611089 0.184741e+08 7.266562 16.731878 ./ancestor::cml:module[@dictRef='cc:finalization']/cml:molecule[@id='mol9999'] -8.2249 1.8265 -1.7677 8.6087 -182.7743 -155.9930 -164.7262 -7.6515 7.2781 -18.7368 -14.9431 11.8382 3.1050 -7.6515 7.2781 -18.7368 -205.8862 52.9239 31.3728 -87.2354 -31.7950 -6.6987 -38.1000 35.9422 -46.2258 18.2147 -12731.4220 -2939.5854 -1771.0652 -77.1673 160.5202 -178.2722 -189.1402 44.8549 -72.2318 -2270.6814 -2177.4418 -824.6428 -203.1803 121.6569 -57.5270 (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A) (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(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 -1721.9860826 4.508E-9 3.033E-6 0.39118 0.41877 -1721.5673126 -1721.5663684 -1721.6569025 -11.0233055,18.9871777,-7.9638721,8.1044995,1.2886606,4.328763 C01 [X(C22H21Cl1N2O4)] -2.3659737 2.4183998 -0.1574681 -0.9370628 0.3270315 -0.4639084 0.3376456 -0.2853969 0.1701599 -0.4781891 0.1704746 -0.3658396 -1.3463352 0.6127093 0.162308 1.0275033 -1.517938 -0.1191311 0.0908896 0.1525437 -0.8174728 -0.7842016 -0.0577221 -0.233701 0.0628987 -2.4342733 -0.0491213 -0.2143589 -0.2005047 -0.559102 -0.5932676 1.0567537 -0.0427298 -0.0447987 -2.9217263 -0.1569729 -0.1099519 0.3878958 -0.4130249 -1.7788679 0.2422859 -0.678857 0.0523295 -0.9489196 -0.0045163 -0.720164 0.0568392 -0.9879682 -1.0982463 -0.2065286 -0.559372 0.270557 -0.3060886 0.1283344 -0.3743019 -0.1350652 -0.3471526 0.0726748 -0.0664287 0.2630838 -0.1555342 -0.9650297 -0.2385464 0.2159807 -0.1468955 -0.1925104 -0.1389457 -0.0580613 0.0180076 -0.0333496 -0.2655513 0.047107 0.006455 -0.1020943 -0.0476433 0.7980352 -0.0500893 -0.4481059 -0.3119834 0.8423433 0.2413448 -0.5846449 0.3003649 0.8322983 1.3172682 -0.5446957 0.3026683 -0.6404841 1.3966014 -0.0140261 0.601999 -0.2573918 0.2172879 0.3040162 0.1392919 0.1656891 0.1592436 0.012402 0.0579236 0.1013907 0.0703392 0.1922231 0.1334224 -0.0484376 0.0472407 -0.3826682 0.732621 -0.1865295 0.0421553 0.0381229 0.0619949 -0.6323817 0.1978442 -0.1214506 0.1500088 -0.4154447 0.0580187 -0.2084487 0.164242 -0.4054011 -0.0861615 0.0139323 0.0376558 0.0164378 -0.1178923 -0.0252179 0.0565727 -0.0974634 0.0493472 0.5409929 -0.1943577 0.2831696 -0.1257062 0.0288737 -0.0680262 0.2618992 -0.1027061 0.1118466 -0.2198479 -0.0769054 -0.0196838 -0.0688053 -0.0880587 -0.1255874 0.0384403 -0.1205702 0.0141447 -0.1352585 0.2486193 0.0714171 0.4068316 -1.7728492 0.1578676 0.0165599 0.0610417 -0.2804052 -0.0123537 0.0430424 0.0758244 0.0760798 -0.1480182 -0.0216187 0.0206068 -0.0383447 -0.0927858 0.6075344 0.2409405 0.2858085 0.2325429 0.2514957 0.1686599 0.1595662 0.1238427 0.426912 0.0162718 0.1083993 -0.0107088 0.0489626 -0.1346535 -0.0983584 0.0313867 -0.0695362 0.0026354 -0.1511284 0.0624369 0.0428775 0.0880078 -0.0331192 0.0872159 0.0521015 0.0489095 -0.1049385 -0.199929 -0.011758 -0.0183361 -0.0565424 0.0310164 0.033262 -0.0190569 0.077655 -0.1440695 -0.2788046 -0.0014129 -0.0829648 -0.0180965 -0.0101912 0.0303799 -0.0979965 0.0467102 -0.2051642 -0.2129571 0.1184286 -0.0016929 0.1212452 -0.1286359 0.0880184 0.0188825 0.0815557 -0.118035 2.0156385 -0.5003305 0.8400394 -0.2660798 3.1842601 0.0541828 0.9176145 -0.0161104 1.0528637 0.2058153 -0.9299326 -0.0048969 -0.2253448 2.7717869 0.0489092 0.000881 -0.314003 0.0726092 1.0439845 -0.419442 0.6216832 -0.3987906 0.297851 -0.1734641 0.633509 -0.185896 0.3262945 0.4276361 -0.3273274 0.0750574 -0.2532362 0.9383337 -0.149598 0.0909857 -0.1570977 0.4000384 0.3865192 0.3724645 0.0268538 0.2579348 1.3926305 0.1646427 0.0049572 0.1989494 0.3862418 -0.0045438 0.1017845 -0.0008109 0.0846635 -0.0299216 0.0490147 0.0471513 0.104272 -0.0382882 -0.0894434 -0.0774981 -0.0277213 -0.0093167 0.0474023 -0.0399398 0.0040749 -0.1038021 0.0398349 0.1584399 -0.0409774 -0.0649874 -0.0347257 0.0514124 -0.0462964 -0.0679691 -0.0587991 0.222353 0.1107049 -0.0219669 -0.0488081 -0.0157937 0.1358737 0.0895469 -0.0630804 0.076551 -0.0774771 0.1052635 -0.004462 -0.0635835 -0.0098894 0.1564933 0.0846553 -0.0470126 0.0730664 -0.0668887 -0.0714451 -0.0742194 -0.0943845 -0.0734144 0.1604401 0.0066344 -0.097738 -0.0003411 0.0838696 -0.042412 -0.0243154 0.0326735 -0.0901308 0.0823061 -0.0963493 -0.0707651 -0.0998477 -0.1606264 -0.0230537 0.0243507 -0.0562557 0.0746981 0.0400188 -0.0282215 -0.0366361 -0.0374175 0.1074953 0.0236014 -0.0524853 -0.0624174 -0.1245196 -0.0229424 0.0272459 0.0042193 0.1008551 0.0175149 0.0070988 -0.1122633 0.0646681 -0.1110149 0.1032672 0.0857067 0.0765305 0.083881 0.0553044 0.0980725 -0.0588965 -0.08176 -0.0478094 0.0656275 -0.0662253 -0.0785322 -0.0681776 0.1110387 0.1226777 0.0775169 -0.0242943 0.0632799 -0.0374081 -0.0244868 -0.0277103 -0.0283311 0.160002 0.1191107 0.0735562 -0.0302007 0.0705546 -0.0150721 -0.0140281 -0.0366431 -0.0090744 0.1703444 0.0778257 -0.0461456 -0.0917687 -0.0435163 0.0867802 -0.0614528 -0.0979965 -0.0627721 0.1132505 0.042756 0.0173191 -0.0735217 -0.0956524 0.0752911 -0.0574919 -0.0393072 0.0111321 0.1738124 -0.0413832 0.0825574 0.0257157 -0.0109643 -0.0194022 0.0470838 0.0260647 0.0515828 0.0931271 0.0764938 0.0850099 0.0249883 0.0499127 -0.0203187 -0.0267695 -0.0058295 0.0790596 -0.1375586 0.0450356 -0.067896 -0.062037 -0.0237597 -0.0821613 -0.0326523 -0.0590399 -0.0693853 0.0735791 0.093221 -0.1042383 -0.029828 -0.0205322 -0.0476133 0.0330256 -0.0496689 -0.1080978 -0.1322203 -0.0614826 -0.1597792 0.0886078 0.0096491 -0.0462126 -0.0401389 0.1228693 -0.0055323 0.0260563 -0.0105977 0.0922986 -0.0572506 0.0314726 -0.0702896 0.0058268 -0.0587016 0.0353711 0.1002519 501.2494908|-17.4791612|462.5997556|99.0121142|-9.8130277|377.5031664 0.000002789 -0.000003457 0.000005284 0.000001083 0.000001429 -0.000001567 -0.000003513 0.000008612 -0.000000731 -0.000003380 0.000001234 -0.000005330 0.000001845 0.000000882 -0.000000970 0.000001358 0.000004440 0.000008100 -0.000004894 -0.000002552 -0.000001000 0.000000105 0.000005972 -0.000004847 0.000001270 -0.000006011 -0.000001099 -0.000005199 -0.000010877 -0.000001266 0.000002072 -0.000003286 0.000004258 0.000003093 0.000003659 0.000000825 0.000007664 -0.000004209 -0.000000941 0.000001881 0.000001610 -0.000001142 -0.000000804 -0.000003101 0.000001666 0.000001448 0.000003100 -0.000001121 -0.000002063 0.000002722 -0.000006653 -0.000001047 -0.000000453 0.000000113 -0.000000799 -0.000004207 -0.000001186 -0.000001452 0.000003179 -0.000001622 -0.000000869 -0.000001986 0.000001993 -0.000001288 -0.000001747 0.000000343 0.000000670 -0.000003469 0.000003595 0.000002674 -0.000001710 0.000003317 -0.000002167 -0.000001352 0.000004497 0.000002805 -0.000001627 0.000001869 -0.000007882 0.000001747 -0.000001282 0.000005390 -0.000007450 0.000004922 0.000005060 0.000006890 -0.000001390 0.000001534 -0.000000003 -0.000002389 0.000000755 0.000001724 -0.000003114 -0.000002728 -0.000000205 0.000001032 0.000000216 0.000000470 -0.000001486 -0.000000663 0.000002639 -0.000000536 -0.000000249 0.000002492 -0.000000470 -0.000001499 -0.000000793 0.000000881 0.000000836 -0.000001183 -0.000001642 0.000000131 -0.000000605 0.000002986 -0.000000185 0.000002416 -0.000000128 -0.000001574 -0.000001807 0.000003013 -0.000000233 -0.000001120 -0.000000129 -0.000001815 -0.000001740 0.000003884 -0.000000519 -0.000001496 0.000000905 0.000000817 0.000001605 -0.000003486 -0.000001435 0.000002041 0.000001226 -0.000001977 0.000002487 0.000000883 -0.000001893 0.000001752 0.000002047 0.000000745 0.000001489 -0.000003907 0.000001662 0.000000371 -0.000003366 0.000002224 0.000001485 -0.000004838 391.6993999999997 AuxInfo=1/0/N:8;9;10;11;12;13;14;15;16;17;18;19;20;21;22;23;24;25;26;27;28;29;1;6;7;2;3;4;5;30;31;32;33;34;35;36;37;38;39;40;41;42;43;44;45;46;47;48;49;50/rA:50nCl0O0O0O0O0N0N0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:5.9703,-2.8768,1.3412;-1.4956,1.3688,-2.6122;-.9131,-.8422,1.405;-1.744,3.7726,1.2277;.5809,.551,2.3492;-.8832,-.8937,-2.4206;.1239,-1.6781,-1.9673;-2.9832,1.5387,-.677;-2.0025,2.2628,-1.5637;-.6353,.4188,-2.1776;-2.6797,1.1328,.6356;1.0065,-.837,-1.404;.5733,.5037,-1.5128;-4.2313,1.2123,-1.2249;2.2312,-1.3346,-.7628;-3.6435,.4154,1.3617;-1.3807,1.4511,1.2939;-5.174,.4945,-.499;-2.0302,-1.4648,-3.1073;-4.8762,.0947,.8053;2.6203,-2.6778,-.8809;3.0245,-.4772,.0138;3.7602,-3.1551,-.243;4.1693,-.9394,.6563;-.4696,.383,1.7377;-.9903,2.7179,1.5566;4.5227,-2.2775,.5219;-.1239,-1.9675,1.8557;-1.1747,5.0718,1.5166;-2.4933,3.0622,-2.1165;-1.1555,2.6766,-1.0219;1.0508,1.4008,-1.1578;-4.4552,1.5264,-2.239;-3.4126,.1063,2.3746;-6.1337,.2529,-.9413;-1.7713,-1.7321,-4.134;-2.8327,-.7302,-3.1132;-2.3581,-2.3538,-2.5699;-5.6034,-.4602,1.3873;2.0259,-3.3599,-1.4752;2.7433,.561,.1389;4.0496,-4.1939,-.3405;4.7699,-.2689,1.2577;-.0433,2.9245,2.0467;.8984,-1.8933,1.4889;-.1287,-2.0125,2.946;-.6128,-2.8447,1.4382;-.9739,5.1647,2.5861;-.2572,5.213,.9417;-1.9229,5.8003,1.212; Gaussian 16 9-Oct-2024 Gaussian 16 3-Jul-2019 EM64L-G16RevC.01 144 C1[X(C22H21ClN2O4)] 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 0 391.6993999999997 AuxInfo=1/0/N:8;9;10;11;12;13;14;15;16;17;18;19;20;21;22;23;24;25;26;27;28;29;1;6;7;2;3;4;5;30;31;32;33;34;35;36;37;38;39;40;41;42;43;44;45;46;47;48;49;50/rA:50nCl0O0O0O0O0N0N0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:5.9703,-2.8768,1.3412;-1.4956,1.3688,-2.6122;-.9131,-.8422,1.405;-1.744,3.7726,1.2277;.5809,.551,2.3492;-.8832,-.8937,-2.4206;.1239,-1.6781,-1.9673;-2.9832,1.5387,-.677;-2.0025,2.2628,-1.5637;-.6353,.4188,-2.1776;-2.6797,1.1328,.6356;1.0065,-.837,-1.404;.5733,.5037,-1.5128;-4.2313,1.2123,-1.2249;2.2312,-1.3346,-.7628;-3.6435,.4154,1.3617;-1.3807,1.4511,1.2939;-5.174,.4945,-.499;-2.0302,-1.4648,-3.1073;-4.8762,.0947,.8053;2.6203,-2.6778,-.8809;3.0245,-.4772,.0138;3.7602,-3.1551,-.243;4.1693,-.9394,.6563;-.4696,.383,1.7377;-.9903,2.7179,1.5566;4.5227,-2.2775,.5219;-.1239,-1.9675,1.8557;-1.1747,5.0718,1.5166;-2.4933,3.0622,-2.1165;-1.1555,2.6766,-1.0219;1.0508,1.4008,-1.1578;-4.4552,1.5264,-2.239;-3.4126,.1063,2.3746;-6.1337,.2529,-.9413;-1.7713,-1.7321,-4.134;-2.8327,-.7302,-3.1132;-2.3581,-2.3538,-2.5699;-5.6034,-.4602,1.3873;2.0259,-3.3599,-1.4752;2.7433,.561,.1389;4.0496,-4.1939,-.3405;4.7699,-.2689,1.2577;-.0433,2.9245,2.0467;.8984,-1.8933,1.4889;-.1287,-2.0125,2.946;-.6128,-2.8447,1.4382;-.9739,5.1647,2.5861;-.2572,5.213,.9417;-1.9229,5.8003,1.212; 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 pyraoxystrobin CONF30 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 50 35 16 16 16 16 14 14 12 12 12 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 34.9688527 15.9949146 15.9949146 15.9949146 15.9949146 14.0030740 14.0030740 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 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 3 0 0 0 0 2 2 0 0 0 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 14.2400000 5.6000000 5.6000000 5.6000000 5.6000000 4.5500000 4.5500000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 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 (Enter /usr/local/gaussian/gaussian16/g16/l101.exe) 6-311+G(d,p) (5D, 7F) 0.10000e-02 0.10000e-05 F 801 A 772 A 772 1229 801 108 108 2961.1006547289 50 50 50 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 -0.0615048948 PCM SMD-Coulomb. Total charges None On-the-fly selection Water 78.355300 1.777849 0.000000 9.454823 0.000000 7.178058 4.622292 0.000000 10.185114 4.537013 4.692295 0.000000 6.466155 5.440170 2.250454 4.128071 0.000000 8.065616 2.351798 3.826020 5.985423 5.194354 0.000000 6.823746 3.510305 3.625843 6.588394 4.879540 1.354597 0.000000 10.185001 2.446794 3.780018 3.186493 4.778688 3.656035 4.654749 0.000000 9.920636 1.468105 4.431811 3.184107 4.991471 3.456953 4.496092 1.507442 0.000000 8.177827 1.353314 3.808192 4.906429 4.689160 1.357693 2.239999 3.003088 2.376181 0.000000 9.560171 3.464953 2.759226 2.862665 3.729139 4.083386 4.747241 1.407029 2.563710 3.550124 0.000000 6.027954 3.547652 3.402219 5.978242 4.024172 2.146528 1.342975 4.699997 4.322991 2.207049 4.650579 0.000000 6.978571 2.497477 3.540363 4.854415 3.862214 2.213269 2.273520 3.797144 3.119548 1.382011 3.948827 1.413207 0.000000 11.286208 3.071353 4.706180 4.330990 6.030681 4.132134 5.279527 1.401656 2.487163 3.803750 2.423917 5.627272 4.865113 0.000000 4.559175 4.961609 3.850756 6.771073 3.995419 3.555576 2.451419 5.954237 5.613087 3.645945 5.671011 1.469229 2.586603 6.961628 0.000000 10.161926 4.616773 3.006457 3.859682 4.340478 4.861951 5.445988 2.419541 3.829383 4.645026 1.403876 5.553398 5.104143 2.769702 6.487571 0.000000 8.530509 3.908590 2.343066 2.350684 2.402432 4.420687 4.763483 2.541623 3.035020 3.697594 1.490661 4.267599 3.548622 3.811479 5.003562 2.489532 0.000000 11.787618 4.331439 4.854647 5.049060 6.421439 4.902108 5.911379 2.433527 3.784114 4.839814 2.813611 6.386761 5.836097 1.389630 7.632345 2.410557 4.303357 0.000000 9.262378 2.925828 4.690071 6.804743 6.376121 1.453738 2.446513 3.979396 4.034628 2.521552 4.602005 3.537930 3.632653 3.943968 4.865535 5.109788 5.319258 4.530528 0.000000 11.258934 4.973076 4.116285 4.849371 5.689662 5.227531 5.985943 2.804643 4.309458 5.195024 2.435383 6.352563 5.936176 2.405599 7.417352 1.389924 3.781160 1.396313 5.083327 0.000000 4.024920 6.025995 4.591223 8.068447 5.001740 4.222310 2.900270 7.015621 6.800390 4.676442 6.701471 2.503255 3.835534 7.886399 1.403358 7.337050 6.146923 8.423800 5.296751 8.168669 0.000000 4.024586 5.543934 4.192064 6.501768 3.533037 4.622807 3.712227 6.374468 5.938628 4.358855 5.959622 2.492443 3.049795 7.552245 1.402735 6.861265 4.976237 8.271880 6.022254 7.960874 2.409637 0.000000 2.733471 7.328172 5.468523 8.969473 5.528327 5.605068 4.286881 8.227576 8.019120 5.986313 7.786512 3.782101 5.015543 9.159819 2.433571 8.374866 7.071587 9.654277 6.677601 9.286931 1.390731 2.788958 0.000000 2.732423 6.935524 5.138168 7.582621 4.238377 5.915829 4.877917 7.686133 7.298864 5.741059 7.155654 3.776065 4.440549 8.873512 2.434387 7.960775 6.076472 9.523074 7.271513 9.105668 2.790030 1.391701 2.426007 0.000000 7.228799 4.576661 1.344801 3.656926 1.227066 4.369470 4.281075 3.672113 4.096667 3.918963 2.580968 3.679327 3.415794 4.859580 4.061645 3.196329 1.472354 5.210292 5.415186 4.513421 5.076683 3.990069 5.859380 4.943447 0.000000 8.932952 4.410646 3.564158 1.337296 2.791498 5.373378 5.743201 3.217256 3.311785 4.399549 2.492973 5.038853 4.094938 4.528534 5.672823 3.518411 1.351415 5.164541 6.350466 4.748250 6.934799 5.358023 7.765213 6.388171 2.399111 0.000000 1.768079 7.703050 5.690973 8.739082 5.184253 6.308439 5.089649 8.505174 8.218341 6.415740 7.969731 4.259982 5.241393 9.584460 2.791104 8.639655 7.024772 10.136662 7.534730 9.697746 2.397327 2.396522 1.391692 1.390420 5.786086 7.511165 0.000000 6.183097 5.742342 1.446497 5.997320 2.661514 4.473883 3.841938 5.184929 5.754738 4.714179 4.199117 3.630575 4.235520 6.039228 3.578195 4.279042 3.685385 6.091773 5.340228 5.285871 3.940010 3.940326 4.571716 4.574651 2.378787 4.774288 4.844131 0.000000 10.689351 5.555360 5.920826 1.447602 4.920651 7.153620 7.706199 4.534905 4.250234 5.965625 4.307832 6.942785 5.753277 5.635145 7.605157 5.272724 3.633441 6.403869 8.052331 6.243323 8.955796 7.119278 9.753564 8.089111 4.746665 2.361442 9.352078 7.125436 0.000000 10.902294 2.026973 5.490181 3.500011 5.974861 4.281840 5.416846 2.152465 1.088811 3.231619 3.366208 5.287743 4.039115 2.690253 6.594345 4.519555 3.932452 4.049166 4.657205 4.798035 7.786063 6.892937 9.015055 8.251768 5.111574 3.983589 9.203097 6.833032 4.356265 0.000000 9.338181 2.086889 4.281412 2.570601 4.347081 3.844234 4.636207 2.180423 1.087328 2.589230 2.730187 4.143206 2.819809 3.412646 5.256138 4.121295 2.629698 4.602614 4.718660 4.883529 6.553333 5.337817 7.666814 6.651731 3.653257 2.584052 7.692061 5.559931 3.490151 1.771065 0.000000 6.981741 2.932595 3.931423 4.373418 3.638951 3.255768 3.315736 4.064876 3.198476 2.201631 4.147888 2.251819 1.076455 5.285903 3.005340 5.418134 3.453341 6.324903 4.637354 6.378841 4.378931 2.965732 5.379080 4.300324 3.425145 3.642677 5.329649 4.669816 5.057849 4.029886 2.552244 0.000000 11.869998 2.987224 5.606740 4.941093 6.882237 4.318444 5.595598 2.146376 2.648417 3.977710 3.401563 6.009402 5.182589 1.084946 7.421075 3.854633 4.683952 2.146933 3.947350 3.390415 8.341574 8.064506 9.664001 9.425759 5.745137 5.275553 10.133799 6.908979 6.118534 2.494506 3.700346 5.612555 0.000000 9.899754 5.489741 2.843819 4.188234 4.018289 5.512850 5.877370 3.398318 4.706336 5.341711 2.148261 5.890321 5.581863 3.853636 6.616038 1.083937 2.665533 3.392796 5.867796 2.145960 7.398978 6.881171 8.302830 7.844202 3.023833 3.654735 8.490172 3.922439 5.513683 5.454588 4.820510 5.837472 4.938563 0.000000 12.708769 5.054683 5.827515 6.030202 7.483535 5.574118 6.628701 3.413117 4.636216 5.638169 3.897606 7.237729 6.736039 2.149466 8.516121 3.395806 5.387330 1.084011 4.947801 2.158055 9.231761 9.236869 10.487693 10.494143 6.267140 6.226612 11.050018 6.990833 7.338653 4.746131 5.537519 7.278910 2.474530 4.292078 0.000000 9.550968 3.465214 5.675322 7.684414 7.264796 2.104152 2.879121 4.910978 4.755914 3.121614 5.637521 3.996274 4.167387 4.814943 5.248150 6.190294 6.304511 5.454321 1.092059 6.113462 5.546462 6.463700 6.911038 7.672422 6.375359 7.266039 7.847877 6.216563 8.864464 5.251335 5.431534 5.161114 4.627302 6.959595 5.758833 0.000000 10.096647 2.538699 4.910332 6.348525 6.567462 2.075321 3.309542 3.332503 3.471032 2.650330 4.188938 4.203814 3.960428 3.048734 5.615396 4.689793 5.127201 3.716932 1.087942 4.495631 6.205739 6.644511 7.588427 7.954918 5.509494 6.090195 8.349210 5.792912 7.605755 3.935825 4.335123 4.842149 2.913561 5.581385 4.071865 1.781144 0.000000 9.215887 3.821518 4.491439 7.234075 6.424430 2.080723 2.642002 4.373282 4.738346 3.287792 4.747085 3.870443 4.228054 4.246765 5.036472 4.977774 5.510094 4.508983 1.089368 4.871138 5.267067 6.258604 6.594680 7.417268 5.441713 6.679911 7.543879 4.972564 8.558053 5.436625 5.398916 5.264226 4.423046 5.622494 4.868529 1.782527 1.776655 0.000000 11.823418 6.017979 4.705916 5.730372 6.339874 6.080164 6.748309 3.888799 5.393541 6.177697 3.413322 7.185008 6.891442 3.391752 8.171237 2.146715 4.636065 2.157301 5.829157 1.084194 8.814305 8.736633 9.879143 9.811763 5.214421 5.604423 10.324208 5.702334 7.087542 5.861454 5.952147 7.363439 4.291313 2.468891 2.492491 6.840206 5.291913 5.456902 0.000000 4.870702 6.004552 4.824094 8.508220 5.657642 3.929222 2.586181 7.051546 6.917401 4.674850 6.839739 2.721981 4.127861 7.753729 2.156728 7.378557 6.512900 8.224853 4.765249 8.048214 1.082487 3.394747 2.137263 3.872481 5.528058 7.431642 3.375486 4.201743 9.502048 7.878960 6.838629 4.869941 8.152545 7.510823 8.939630 4.913059 5.762333 4.629265 8.649213 0.000000 4.865918 5.117516 4.115963 5.624567 3.092159 4.671038 4.038637 5.866369 5.321428 4.098923 5.475664 2.711356 2.727639 7.136499 2.160668 6.504510 4.374222 7.943295 6.117852 7.662828 3.397715 1.082850 3.871588 2.133607 3.593141 4.539016 3.371853 4.190682 6.131644 6.226170 4.585209 2.291596 7.642313 6.565105 8.947857 6.625507 6.582928 6.469767 8.501159 4.300362 0.000000 2.872658 8.176381 6.237722 9.974440 6.463792 6.288901 4.938298 9.079417 8.933790 6.826432 8.637690 4.654030 5.960401 9.928877 3.414733 9.128395 8.001563 10.348018 7.215779 9.968703 2.152571 3.871684 1.082732 3.405825 6.759461 8.762043 2.154152 5.215183 10.797965 9.930487 8.646478 6.400140 10.423889 9.030395 11.128139 7.371162 8.188458 7.029553 10.493201 2.465416 4.954280 0.000000 2.872087 7.544167 5.713752 7.665850 4.405834 6.773335 5.828544 8.192744 7.761146 6.441317 7.605840 4.644451 5.087622 9.454086 3.415158 8.441907 6.386694 10.126763 8.168575 9.663596 3.872619 2.153363 3.406170 1.082603 5.301691 6.495483 2.153315 5.214663 7.995575 8.673880 6.998807 4.738638 10.027611 8.266922 11.135454 8.602275 8.781650 8.355011 10.375939 4.955058 2.459190 4.298693 0.000000 8.385508 5.121892 3.918697 2.069276 2.472786 5.936372 6.109338 4.240436 4.160647 4.947046 3.485963 5.211379 4.348554 5.583377 5.586312 4.441453 2.127509 6.221702 7.055299 5.736349 6.859389 5.011615 7.528041 5.883001 2.595449 1.086123 7.087587 4.896470 2.484304 4.832514 3.273237 3.713162 6.307625 4.404751 7.291013 7.929093 6.910963 7.384555 6.542591 7.495278 4.122090 8.551193 5.829936 0.000000 5.168436 5.761176 2.096061 6.257183 2.610679 4.410999 3.548441 5.615721 5.916631 4.597941 4.763207 3.081528 3.855006 6.582074 2.675499 5.096644 4.051808 6.821140 5.466773 6.145399 3.032462 2.949779 3.575039 3.507374 2.667393 4.983503 3.770616 1.088703 7.267141 7.004230 5.604156 4.228405 7.365637 4.834032 7.743621 6.226581 6.037620 5.224051 6.658713 3.493926 3.354007 4.309215 4.204814 4.940585 0.000000 6.365551 6.647933 2.087956 6.247300 2.726118 5.533593 4.931160 5.821083 6.490515 5.693784 4.662431 4.646787 5.167670 6.680369 4.447907 4.556169 4.036512 6.603637 6.368535 5.617961 4.758623 4.571409 5.157360 4.986740 2.704596 5.004999 5.251833 1.091259 7.302405 7.548025 6.227870 5.466600 7.624070 3.949630 7.503581 7.273457 6.757893 5.959155 5.900129 5.099436 4.769850 5.746131 5.466943 5.019027 1.786761 0.000000 6.583918 5.910887 2.025159 6.716523 3.712922 4.332360 3.674440 5.413557 6.085143 4.870837 4.553698 3.838072 4.618122 6.053498 3.900415 4.451858 4.366216 5.975553 4.957322 5.216973 3.982346 4.567731 4.695293 5.206766 3.244731 5.576650 5.247350 1.087497 7.936795 7.145847 6.068889 5.247053 6.884183 4.174170 6.762967 5.799119 5.487611 4.399078 5.531228 3.964344 4.954842 5.169397 5.970038 5.829084 1.786526 1.788905 0.000000 10.697543 6.457745 6.122183 2.091907 4.874377 7.859980 8.292308 5.275648 5.167198 6.732803 4.792766 7.474193 6.396798 6.384029 7.983040 5.584089 3.953017 6.997833 8.802308 6.641095 9.297453 7.378051 9.981726 8.212022 4.882468 2.654589 9.479398 7.219766 1.092089 5.370605 4.386409 5.681826 6.974092 5.619540 7.949363 9.662349 8.407519 9.221073 7.382986 9.907660 6.403221 11.017455 8.017524 2.485021 7.384087 7.235780 8.099262 0.000000 10.216983 5.379734 6.108224 2.089781 4.941418 6.999254 7.489681 4.853020 4.245849 5.732155 4.755091 6.610809 5.375109 6.041007 7.208978 5.887383 3.941913 6.965333 8.008225 6.895761 8.594583 6.634010 9.357844 7.584739 4.899766 2.672294 8.895558 7.239749 1.091916 4.356504 3.331043 4.544442 6.428957 6.171591 7.917247 8.734426 7.641827 8.602478 7.808078 9.195084 5.593712 10.425130 7.444715 2.550277 7.220436 7.499498 8.080827 1.794422 0.000000 11.730728 5.868915 6.721511 2.035618 5.925913 7.686723 8.379904 4.780497 4.497173 6.488984 4.763449 7.712207 6.458198 5.684774 8.488962 5.655081 4.383613 6.453587 8.452729 6.437478 9.843647 8.082042 10.705742 9.102019 5.633360 3.238690 10.357153 7.999334 1.087745 4.347554 3.916100 5.814959 6.048783 5.999342 7.289817 9.237889 7.885529 8.998939 7.264303 10.330649 7.097550 11.745805 9.034966 3.535410 8.199204 8.201541 8.746549 1.786780 1.786711 0.000000 C22H21ClN2O4 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 0 391.6993999999997 AuxInfo=1/0/N:8;9;10;11;12;13;14;15;16;17;18;19;20;21;22;23;24;25;26;27;28;29;1;6;7;2;3;4;5;30;31;32;33;34;35;36;37;38;39;40;41;42;43;44;45;46;47;48;49;50/rA:50nCl0O0O0O0O0N0N0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:6.7492,.8882,.293;-2.1051,-1.487,-2.0207;-.2474,.3363,1.799;-3.1842,2.7812,-.9241;.4687,2.2866,.9341;-.4779,-2.5527,-.6988;.8114,-2.4206,-.3047;-3.3476,-.3307,-.2583;-2.8977,-.2945,-1.6966;-.8672,-1.5085,-1.4744;-2.792,.4872,.7428;1.2262,-1.2534,-.8234;.2006,-.637,-1.5754;-4.3266,-1.2716,.0893;2.5835,-.7486,-.5754;-3.2421,.3392,2.0643;-1.7564,1.5194,.4525;-4.758,-1.4144,1.4025;-1.262,-3.7191,-.3273;-4.2109,-.6005,2.3965;3.5549,-1.5481,.0465;2.9281,.5645,-.9283;4.828,-1.0561,.3135;4.1986,1.0704,-.6699;-.4171,1.4468,1.0597;-1.9977,2.5886,-.338;5.135,.2523,-.0478;1.0129,.2015,2.4961;-3.2821,3.9373,-1.7898;-3.7489,-.3544,-2.3729;-2.3124,.5881,-1.9431;.2184,.3002,-2.1046;-4.7468,-1.9004,-.6886;-2.8182,.972,2.8354;-5.5167,-2.148,1.65;-.9834,-4.5813,-.9369;-2.3153,-3.4917,-.4773;-1.0869,-3.9431,.7243;-4.5415,-.6948,3.4247;3.3148,-2.5654,.3281;2.1968,1.213,-1.3945;5.5687,-1.6822,.7948;4.4502,2.0876,-.9419;-1.2299,3.3333,-.5266;1.8467,.2442,1.7974;1.1102,.9897,3.2445;.9709,-.7735,2.976;-3.0717,4.8482,-1.2253;-2.5874,3.8367,-2.6261;-4.3069,3.9516,-2.1543; 0.2684963 0.0957757 0.0858257 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= 772 RedAO= T EigKep= 1.29D-06 NBF= 772 NBsUse= 765 1.00D-06 EigRej= 9.26D-07 NBFU= 765 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= 786 783 783 786 786 MxSgAt= 50 MxSgA2= 50. 1 Closed 1 1 1 -1721.98608264040 -1721.98608264035 0.000000000049 -1721.98608264 2 1.715635229239e+03 -9.959336340809e+03 3.560659540241e+03 Using DIIS extrapolation, IDIIS= 1040. NGot= 1415577600 LenX= 1414279281 LenY= 1413636879 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. PT2263.700S Wed Oct 9 07:10:18 2024 -101.55828 -19.17774 -19.17234 -19.16356 -19.11428 -14.39279 -14.33070 -10.31172 -10.26298 -10.25117 -10.23998 -10.22947 -10.22063 -10.21502 -10.20511 -10.20105 -10.19656 -10.19539 -10.18902 -10.18873 -10.18762 -10.18750 -10.18402 -10.18325 -10.17763 -10.17751 -10.17697 -10.17642 -10.16378 -9.47284 -7.23722 -7.22782 -7.22746 -1.11189 -1.09024 -1.08792 -1.04222 -1.02163 -0.89736 -0.87362 -0.86135 -0.83350 -0.81835 -0.79435 -0.76896 -0.76123 -0.75447 -0.74995 -0.73871 -0.70359 -0.69722 -0.68771 -0.63219 -0.62536 -0.62288 -0.61219 -0.59756 -0.58686 -0.56327 -0.55904 -0.54576 -0.53970 -0.51956 -0.50331 -0.49857 -0.49786 -0.48892 -0.48762 -0.48244 -0.47657 -0.47220 -0.46756 -0.46527 -0.45460 -0.44820 -0.44522 -0.43519 -0.43210 -0.43022 -0.42249 -0.41872 -0.41052 -0.40790 -0.40398 -0.40012 -0.39390 -0.37996 -0.37520 -0.37236 -0.36835 -0.36278 -0.36136 -0.35983 -0.35067 -0.34615 -0.34256 -0.32448 -0.32092 -0.31404 -0.29952 -0.29723 -0.28382 -0.27100 -0.26807 -0.26120 -0.24337 -0.23610 -0.22491 -0.04965 -0.04339 -0.02942 -0.02587 -0.02107 0.00272 0.00749 0.00973 0.01536 0.01740 0.02075 0.02641 0.02907 0.03408 0.03433 0.03960 0.04276 0.04460 0.04623 0.05132 0.05484 0.05819 0.06075 0.06233 0.06714 0.06786 0.06994 0.07408 0.07487 0.07952 0.08158 0.08755 0.08904 0.09319 0.09509 0.09614 0.09873 0.10132 0.10375 0.10706 0.10951 0.11286 0.11848 0.12085 0.12349 0.12737 0.12862 0.13048 0.13292 0.13533 0.13800 0.14117 0.14374 0.14557 0.14775 0.15086 0.15175 0.15777 0.15984 0.16199 0.16419 0.16462 0.16596 0.16767 0.17060 0.17525 0.17907 0.18302 0.18401 0.18483 0.18804 0.19264 0.19522 0.19683 0.19875 0.20184 0.20342 0.20477 0.20771 0.20885 0.21193 0.21520 0.21575 0.21735 0.21807 0.22084 0.22346 0.22457 0.22576 0.22853 0.22988 0.23125 0.23391 0.23604 0.23863 0.24418 0.24490 0.24723 0.24919 0.25186 0.25393 0.25542 0.25878 0.25989 0.26292 0.26485 0.26919 0.27013 0.27155 0.27523 0.27720 0.27940 0.28291 0.28516 0.28621 0.29220 0.29390 0.29689 0.29933 0.30254 0.30626 0.30753 0.30933 0.31438 0.31898 0.32201 0.32339 0.32842 0.33051 0.33536 0.33759 0.34094 0.34193 0.34580 0.35000 0.35396 0.36017 0.36187 0.36327 0.36683 0.37101 0.37614 0.37770 0.37923 0.38391 0.38530 0.39230 0.40121 0.40260 0.40737 0.41013 0.41547 0.42254 0.42365 0.43041 0.43395 0.44045 0.44448 0.44721 0.45376 0.45544 0.46206 0.46335 0.46908 0.47625 0.48390 0.48885 0.49077 0.49775 0.50091 0.50500 0.50879 0.51632 0.51808 0.52911 0.53123 0.53487 0.54362 0.54526 0.55453 0.55775 0.56190 0.56357 0.57254 0.57483 0.57630 0.58169 0.58796 0.58967 0.59369 0.59906 0.60100 0.60610 0.61688 0.61942 0.62476 0.62874 0.63373 0.64124 0.64243 0.65239 0.65621 0.66305 0.66889 0.66970 0.67352 0.67974 0.68151 0.68652 0.69184 0.69339 0.69799 0.70052 0.70629 0.70771 0.71249 0.71772 0.72203 0.72511 0.72640 0.73164 0.73500 0.74469 0.74515 0.74791 0.75076 0.75328 0.75565 0.76096 0.76390 0.77061 0.77550 0.77893 0.78249 0.79277 0.79752 0.79783 0.80385 0.80562 0.81233 0.82680 0.83039 0.83360 0.84087 0.84636 0.84935 0.85369 0.86164 0.86267 0.86694 0.87006 0.87550 0.87928 0.88052 0.89051 0.89426 0.89807 0.90646 0.91059 0.91725 0.91929 0.93072 0.93452 0.93660 0.94763 0.95358 0.95729 0.96483 0.97324 0.98573 0.98618 0.99002 0.99738 1.00257 1.00812 1.01279 1.02292 1.02576 1.03449 1.04466 1.04699 1.05900 1.06622 1.07055 1.07509 1.07898 1.08106 1.08758 1.09195 1.09373 1.09994 1.10936 1.11060 1.11899 1.12546 1.13532 1.13921 1.15687 1.16342 1.16735 1.17471 1.17815 1.18358 1.19200 1.19560 1.21163 1.21921 1.22552 1.24403 1.25269 1.26276 1.27344 1.28549 1.29173 1.29574 1.30112 1.31067 1.31641 1.32650 1.33058 1.33612 1.34800 1.35224 1.36402 1.38357 1.39543 1.40286 1.42217 1.42517 1.42755 1.44417 1.44449 1.44760 1.46462 1.47543 1.48580 1.49471 1.50496 1.50883 1.51441 1.51653 1.52108 1.53147 1.53268 1.54179 1.55033 1.55836 1.56172 1.56581 1.57042 1.57470 1.57994 1.58174 1.58478 1.59825 1.60011 1.60773 1.61298 1.61532 1.62455 1.63238 1.63574 1.63727 1.64790 1.65937 1.66819 1.67334 1.68014 1.68445 1.68753 1.69195 1.69767 1.70533 1.71162 1.71753 1.72269 1.73089 1.73864 1.74280 1.75000 1.75268 1.76072 1.76415 1.76779 1.77770 1.78518 1.79205 1.80192 1.81046 1.81914 1.82732 1.83741 1.84427 1.84642 1.86842 1.87456 1.88176 1.88444 1.88876 1.89924 1.90483 1.91339 1.91412 1.92142 1.92915 1.93595 1.93724 1.94863 1.95689 1.96180 1.96535 1.96852 1.97234 1.97698 1.98319 1.98906 1.99145 1.99393 2.01236 2.01900 2.02335 2.04029 2.04897 2.07005 2.07373 2.08111 2.08402 2.08803 2.09152 2.10521 2.11777 2.12180 2.13294 2.13795 2.14476 2.15693 2.15921 2.17125 2.18509 2.19133 2.20723 2.21672 2.22488 2.24109 2.24412 2.25891 2.27504 2.29087 2.29512 2.32659 2.33189 2.34814 2.35539 2.37714 2.39273 2.40168 2.40548 2.42537 2.43004 2.43276 2.43698 2.44594 2.45526 2.47085 2.47919 2.48323 2.49506 2.50389 2.51330 2.52746 2.53351 2.53927 2.54461 2.55132 2.56080 2.57220 2.58584 2.59271 2.60762 2.61946 2.62242 2.62485 2.63680 2.64097 2.64553 2.65553 2.66821 2.67238 2.68564 2.69161 2.70617 2.71423 2.71532 2.72390 2.73407 2.73978 2.75590 2.75898 2.76281 2.76992 2.77253 2.77994 2.78574 2.79098 2.80289 2.80948 2.81604 2.82472 2.83605 2.83976 2.84692 2.85062 2.85375 2.85863 2.86579 2.86738 2.88135 2.88782 2.89929 2.90396 2.91616 2.91967 2.93436 2.93891 2.94498 2.95759 2.96974 2.97322 2.99437 3.01316 3.01951 3.02139 3.03465 3.04509 3.05263 3.07391 3.08282 3.09046 3.10043 3.10517 3.12246 3.14950 3.15910 3.16819 3.18129 3.18603 3.19043 3.19887 3.21111 3.22712 3.23928 3.25319 3.26090 3.28750 3.30037 3.31398 3.33994 3.36266 3.36576 3.37603 3.38446 3.40182 3.42118 3.44210 3.46671 3.47221 3.49630 3.51555 3.56283 3.58140 3.60232 3.61286 3.62394 3.67199 3.68165 3.73197 3.76328 3.78416 3.79375 3.80565 3.81382 3.81656 3.83962 3.84895 3.86979 3.88535 3.90528 3.91187 3.98192 4.00338 4.02977 4.03527 4.04963 4.06968 4.08164 4.08994 4.11494 4.15876 4.16438 4.16837 4.20176 4.23262 4.27390 4.33666 4.36085 4.42897 4.49644 4.71220 4.84050 4.85717 5.01606 5.04157 5.13608 5.14653 5.17785 5.24984 5.39735 5.40798 5.44250 5.45782 5.64697 5.79626 5.80946 5.91516 9.77912 23.61061 23.64656 23.76161 23.79871 23.86925 23.88281 23.92303 23.94324 23.95493 23.96254 23.96561 23.97475 23.99543 23.99964 24.04594 24.05455 24.10025 24.10110 24.16215 24.17372 24.18178 24.21420 25.83586 26.11652 26.59835 35.55772 35.63350 49.92227 49.95073 49.98969 50.05592 215.77123 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 50 Cl O O O O N N C C C 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 0.367789 -0.168584 0.025260 -0.101509 -0.367528 0.397352 -0.429931 0.421413 -0.555846 -0.270549 0.246713 0.449283 -0.091113 -0.055971 0.393970 -0.232554 0.273387 -0.362357 -0.279262 -0.347911 -0.628275 -0.751846 -0.617294 -0.557511 -0.302217 -0.284075 0.566993 -0.291029 -0.255832 0.206515 0.185980 0.167364 0.155632 0.160171 0.165427 0.192830 0.192683 0.190458 0.167073 0.168404 0.169441 0.182012 0.181138 0.193172 0.214215 0.188256 0.189070 0.177288 0.180852 0.181054 -0.00000 -8.2249 1.8265 -1.7677 8.6087 -182.7743 -155.9930 -164.7262 -7.6514 7.2781 -18.7368 -14.9431 11.8382 3.1050 -7.6514 7.2781 -18.7368 -205.8861 52.9239 31.3728 -87.2354 -31.7950 -6.6987 -38.1000 35.9422 -46.2258 18.2147 -12731.4222 -2939.5855 -1771.0652 -77.1673 160.5202 -178.2722 -189.1402 44.8550 -72.2318 -2270.6814 -2177.4418 -824.6428 -203.1803 121.6569 -57.5270 (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A) (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(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-HAMILTON20 APULGAR 2024-10-09T00:00:00.000 0 Wavefunction pyraoxystrobin CONF30 water 0 1 Version=EM64L-G16RevC.01 State=1-A HF=-1721.9860826 RMSD=2.802e-09 Dipole=-2.3659736,2.4184005,-0.1574681 Quadrupole=-11.0233036,18.9871766,-7.963873,8.1044984,1.2886618,4.3287603 PG=C01 [X(C22H21Cl1N2O4)] 0 5.9702914093 -2.8767943704 1.3412214456 0 -1.495555855 1.3688473 -2.612173636 0 -0.9130761421 -0.8421687848 1.4050030458 0 -1.7439527397 3.7725743605 1.2277327887 0 0.5809355313 0.5510427516 2.3491598674 0 -0.8832250712 -0.893736197 -2.4205528523 0 0.123920427 -1.6780720664 -1.9673317302 0 -2.9831664572 1.538711812 -0.6769836879 0 -2.0024695806 2.2627927664 -1.5637307988 0 -0.6352833515 0.4188290269 -2.1775994066 0 -2.6797011693 1.1327659036 0.6355890259 0 1.0064716308 -0.8370472868 -1.4039832859 0 0.5733231512 0.5037377161 -1.5127565569 0 -4.2313013038 1.2123110257 -1.2249442447 0 2.2311945679 -1.3346163581 -0.7628022288 0 -3.6435477182 0.4153820499 1.3616941957 0 -1.3806907836 1.4510698253 1.2938628371 0 -5.1740416331 0.4944720591 -0.4989823997 0 -2.0302259842 -1.4647763905 -3.1073250372 0 -4.8762149794 0.0946825189 0.8053016197 0 2.6202755292 -2.6777794295 -0.8808867907 0 3.0245442066 -0.4772329827 0.0138279488 0 3.760151223 -3.1551472031 -0.2429704905 0 4.1693153946 -0.9394128463 0.6562606585 0 -0.4695758379 0.3830305857 1.737695315 0 -0.9903377732 2.7179263951 1.5565835893 0 4.5226638139 -2.2774570614 0.5219090599 0 -0.123912274 -1.9675493956 1.8556601354 0 -1.1747040407 5.0718209038 1.516635502 0 -2.4933217206 3.0621827754 -2.1164957193 0 -1.1554889979 2.676649335 -1.0218553175 0 1.0508126547 1.4008386094 -1.1578367421 0 -4.4551901976 1.5264018578 -2.2390098251 0 -3.4125842382 0.1062962651 2.3746310209 0 -6.1337467135 0.2528956209 -0.9413479476 0 -1.771302354 -1.7320631005 -4.1340236717 0 -2.832713292 -0.7302029782 -3.1131623059 0 -2.358106467 -2.3538151747 -2.5698982794 0 -5.603429142 -0.4601707049 1.3873446364 0 2.0258832188 -3.3599257708 -1.475152719 0 2.7433238937 0.5609612875 0.1388598771 0 4.0495981643 -4.1939010353 -0.3405423898 0 4.7699366966 -0.2689110409 1.2576843615 0 -0.0433380544 2.9245301499 2.0466554481 0 0.8984444829 -1.893279049 1.4888561867 0 -0.1287277328 -2.0125295795 2.9459810326 0 -0.61283379 -2.8446724165 1.438214157 0 -0.9739225514 5.1647001852 2.5860830295 0 -0.2572017012 5.2130436161 0.9417213045 0 -1.9228786029 5.8002524079 1.2119872395 Gaussian 16 9-Oct-2024 Gaussian 16 3-Jul-2019 EM64L-G16RevC.01 144 C1[X(C22H21ClN2O4)] 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 0 391.6993999999997 AuxInfo=1/0/N:8;9;10;11;12;13;14;15;16;17;18;19;20;21;22;23;24;25;26;27;28;29;1;6;7;2;3;4;5;30;31;32;33;34;35;36;37;38;39;40;41;42;43;44;45;46;47;48;49;50/rA:50nCl0O0O0O0O0N0N0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:5.9703,-2.8768,1.3412;-1.4956,1.3688,-2.6122;-.9131,-.8422,1.405;-1.744,3.7726,1.2277;.5809,.551,2.3492;-.8832,-.8937,-2.4206;.1239,-1.6781,-1.9673;-2.9832,1.5387,-.677;-2.0025,2.2628,-1.5637;-.6353,.4188,-2.1776;-2.6797,1.1328,.6356;1.0065,-.837,-1.404;.5733,.5037,-1.5128;-4.2313,1.2123,-1.2249;2.2312,-1.3346,-.7628;-3.6435,.4154,1.3617;-1.3807,1.4511,1.2939;-5.174,.4945,-.499;-2.0302,-1.4648,-3.1073;-4.8762,.0947,.8053;2.6203,-2.6778,-.8809;3.0245,-.4772,.0138;3.7602,-3.1551,-.243;4.1693,-.9394,.6563;-.4696,.383,1.7377;-.9903,2.7179,1.5566;4.5227,-2.2775,.5219;-.1239,-1.9675,1.8557;-1.1747,5.0718,1.5166;-2.4933,3.0622,-2.1165;-1.1555,2.6766,-1.0219;1.0508,1.4008,-1.1578;-4.4552,1.5264,-2.239;-3.4126,.1063,2.3746;-6.1337,.2529,-.9413;-1.7713,-1.7321,-4.134;-2.8327,-.7302,-3.1132;-2.3581,-2.3538,-2.5699;-5.6034,-.4602,1.3873;2.0259,-3.3599,-1.4752;2.7433,.561,.1389;4.0496,-4.1939,-.3405;4.7699,-.2689,1.2577;-.0433,2.9245,2.0467;.8984,-1.8933,1.4889;-.1287,-2.0125,2.946;-.6128,-2.8447,1.4382;-.9739,5.1647,2.5861;-.2572,5.213,.9417;-1.9229,5.8003,1.212; 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 pyraoxystrobin CONF30 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 50 35 16 16 16 16 14 14 12 12 12 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 34.9688527 15.9949146 15.9949146 15.9949146 15.9949146 14.0030740 14.0030740 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 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 3 0 0 0 0 2 2 0 0 0 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 14.2400000 5.6000000 5.6000000 5.6000000 5.6000000 4.5500000 4.5500000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 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 (Enter /usr/local/gaussian/gaussian16/g16/l101.exe) 6-311+G(d,p) (5D, 7F) 0.10000e-02 0.10000e-05 F 801 A 772 A 772 1229 801 108 108 2961.1006547289 50 50 50 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 -0.0615048948 PCM SMD-Coulomb. Total charges None On-the-fly selection Water 78.355300 1.777849 0.000000 9.454823 0.000000 7.178058 4.622292 0.000000 10.185114 4.537013 4.692295 0.000000 6.466155 5.440170 2.250454 4.128071 0.000000 8.065616 2.351798 3.826020 5.985423 5.194354 0.000000 6.823746 3.510305 3.625843 6.588394 4.879540 1.354597 0.000000 10.185001 2.446794 3.780018 3.186493 4.778688 3.656035 4.654749 0.000000 9.920636 1.468105 4.431811 3.184107 4.991471 3.456953 4.496092 1.507442 0.000000 8.177827 1.353314 3.808192 4.906429 4.689160 1.357693 2.239999 3.003088 2.376181 0.000000 9.560171 3.464953 2.759226 2.862665 3.729139 4.083386 4.747241 1.407029 2.563710 3.550124 0.000000 6.027954 3.547652 3.402219 5.978242 4.024172 2.146528 1.342975 4.699997 4.322991 2.207049 4.650579 0.000000 6.978571 2.497477 3.540363 4.854415 3.862214 2.213269 2.273520 3.797144 3.119548 1.382011 3.948827 1.413207 0.000000 11.286208 3.071353 4.706180 4.330990 6.030681 4.132134 5.279527 1.401656 2.487163 3.803750 2.423917 5.627272 4.865113 0.000000 4.559175 4.961609 3.850756 6.771073 3.995419 3.555576 2.451419 5.954237 5.613087 3.645945 5.671011 1.469229 2.586603 6.961628 0.000000 10.161926 4.616773 3.006457 3.859682 4.340478 4.861951 5.445988 2.419541 3.829383 4.645026 1.403876 5.553398 5.104143 2.769702 6.487571 0.000000 8.530509 3.908590 2.343066 2.350684 2.402432 4.420687 4.763483 2.541623 3.035020 3.697594 1.490661 4.267599 3.548622 3.811479 5.003562 2.489532 0.000000 11.787618 4.331439 4.854647 5.049060 6.421439 4.902108 5.911379 2.433527 3.784114 4.839814 2.813611 6.386761 5.836097 1.389630 7.632345 2.410557 4.303357 0.000000 9.262378 2.925828 4.690071 6.804743 6.376121 1.453738 2.446513 3.979396 4.034628 2.521552 4.602005 3.537930 3.632653 3.943968 4.865535 5.109788 5.319258 4.530528 0.000000 11.258934 4.973076 4.116285 4.849371 5.689662 5.227531 5.985943 2.804643 4.309458 5.195024 2.435383 6.352563 5.936176 2.405599 7.417352 1.389924 3.781160 1.396313 5.083327 0.000000 4.024920 6.025995 4.591223 8.068447 5.001740 4.222310 2.900270 7.015621 6.800390 4.676442 6.701471 2.503255 3.835534 7.886399 1.403358 7.337050 6.146923 8.423800 5.296751 8.168669 0.000000 4.024586 5.543934 4.192064 6.501768 3.533037 4.622807 3.712227 6.374468 5.938628 4.358855 5.959622 2.492443 3.049795 7.552245 1.402735 6.861265 4.976237 8.271880 6.022254 7.960874 2.409637 0.000000 2.733471 7.328172 5.468523 8.969473 5.528327 5.605068 4.286881 8.227576 8.019120 5.986313 7.786512 3.782101 5.015543 9.159819 2.433571 8.374866 7.071587 9.654277 6.677601 9.286931 1.390731 2.788958 0.000000 2.732423 6.935524 5.138168 7.582621 4.238377 5.915829 4.877917 7.686133 7.298864 5.741059 7.155654 3.776065 4.440549 8.873512 2.434387 7.960775 6.076472 9.523074 7.271513 9.105668 2.790030 1.391701 2.426007 0.000000 7.228799 4.576661 1.344801 3.656926 1.227066 4.369470 4.281075 3.672113 4.096667 3.918963 2.580968 3.679327 3.415794 4.859580 4.061645 3.196329 1.472354 5.210292 5.415186 4.513421 5.076683 3.990069 5.859380 4.943447 0.000000 8.932952 4.410646 3.564158 1.337296 2.791498 5.373378 5.743201 3.217256 3.311785 4.399549 2.492973 5.038853 4.094938 4.528534 5.672823 3.518411 1.351415 5.164541 6.350466 4.748250 6.934799 5.358023 7.765213 6.388171 2.399111 0.000000 1.768079 7.703050 5.690973 8.739082 5.184253 6.308439 5.089649 8.505174 8.218341 6.415740 7.969731 4.259982 5.241393 9.584460 2.791104 8.639655 7.024772 10.136662 7.534730 9.697746 2.397327 2.396522 1.391692 1.390420 5.786086 7.511165 0.000000 6.183097 5.742342 1.446497 5.997320 2.661514 4.473883 3.841938 5.184929 5.754738 4.714179 4.199117 3.630575 4.235520 6.039228 3.578195 4.279042 3.685385 6.091773 5.340228 5.285871 3.940010 3.940326 4.571716 4.574651 2.378787 4.774288 4.844131 0.000000 10.689351 5.555360 5.920826 1.447602 4.920651 7.153620 7.706199 4.534905 4.250234 5.965625 4.307832 6.942785 5.753277 5.635145 7.605157 5.272724 3.633441 6.403869 8.052331 6.243323 8.955796 7.119278 9.753564 8.089111 4.746665 2.361442 9.352078 7.125436 0.000000 10.902294 2.026973 5.490181 3.500011 5.974861 4.281840 5.416846 2.152465 1.088811 3.231619 3.366208 5.287743 4.039115 2.690253 6.594345 4.519555 3.932452 4.049166 4.657205 4.798035 7.786063 6.892937 9.015055 8.251768 5.111574 3.983589 9.203097 6.833032 4.356265 0.000000 9.338181 2.086889 4.281412 2.570601 4.347081 3.844234 4.636207 2.180423 1.087328 2.589230 2.730187 4.143206 2.819809 3.412646 5.256138 4.121295 2.629698 4.602614 4.718660 4.883529 6.553333 5.337817 7.666814 6.651731 3.653257 2.584052 7.692061 5.559931 3.490151 1.771065 0.000000 6.981741 2.932595 3.931423 4.373418 3.638951 3.255768 3.315736 4.064876 3.198476 2.201631 4.147888 2.251819 1.076455 5.285903 3.005340 5.418134 3.453341 6.324903 4.637354 6.378841 4.378931 2.965732 5.379080 4.300324 3.425145 3.642677 5.329649 4.669816 5.057849 4.029886 2.552244 0.000000 11.869998 2.987224 5.606740 4.941093 6.882237 4.318444 5.595598 2.146376 2.648417 3.977710 3.401563 6.009402 5.182589 1.084946 7.421075 3.854633 4.683952 2.146933 3.947350 3.390415 8.341574 8.064506 9.664001 9.425759 5.745137 5.275553 10.133799 6.908979 6.118534 2.494506 3.700346 5.612555 0.000000 9.899754 5.489741 2.843819 4.188234 4.018289 5.512850 5.877370 3.398318 4.706336 5.341711 2.148261 5.890321 5.581863 3.853636 6.616038 1.083937 2.665533 3.392796 5.867796 2.145960 7.398978 6.881171 8.302830 7.844202 3.023833 3.654735 8.490172 3.922439 5.513683 5.454588 4.820510 5.837472 4.938563 0.000000 12.708769 5.054683 5.827515 6.030202 7.483535 5.574118 6.628701 3.413117 4.636216 5.638169 3.897606 7.237729 6.736039 2.149466 8.516121 3.395806 5.387330 1.084011 4.947801 2.158055 9.231761 9.236869 10.487693 10.494143 6.267140 6.226612 11.050018 6.990833 7.338653 4.746131 5.537519 7.278910 2.474530 4.292078 0.000000 9.550968 3.465214 5.675322 7.684414 7.264796 2.104152 2.879121 4.910978 4.755914 3.121614 5.637521 3.996274 4.167387 4.814943 5.248150 6.190294 6.304511 5.454321 1.092059 6.113462 5.546462 6.463700 6.911038 7.672422 6.375359 7.266039 7.847877 6.216563 8.864464 5.251335 5.431534 5.161114 4.627302 6.959595 5.758833 0.000000 10.096647 2.538699 4.910332 6.348525 6.567462 2.075321 3.309542 3.332503 3.471032 2.650330 4.188938 4.203814 3.960428 3.048734 5.615396 4.689793 5.127201 3.716932 1.087942 4.495631 6.205739 6.644511 7.588427 7.954918 5.509494 6.090195 8.349210 5.792912 7.605755 3.935825 4.335123 4.842149 2.913561 5.581385 4.071865 1.781144 0.000000 9.215887 3.821518 4.491439 7.234075 6.424430 2.080723 2.642002 4.373282 4.738346 3.287792 4.747085 3.870443 4.228054 4.246765 5.036472 4.977774 5.510094 4.508983 1.089368 4.871138 5.267067 6.258604 6.594680 7.417268 5.441713 6.679911 7.543879 4.972564 8.558053 5.436625 5.398916 5.264226 4.423046 5.622494 4.868529 1.782527 1.776655 0.000000 11.823418 6.017979 4.705916 5.730372 6.339874 6.080164 6.748309 3.888799 5.393541 6.177697 3.413322 7.185008 6.891442 3.391752 8.171237 2.146715 4.636065 2.157301 5.829157 1.084194 8.814305 8.736633 9.879143 9.811763 5.214421 5.604423 10.324208 5.702334 7.087542 5.861454 5.952147 7.363439 4.291313 2.468891 2.492491 6.840206 5.291913 5.456902 0.000000 4.870702 6.004552 4.824094 8.508220 5.657642 3.929222 2.586181 7.051546 6.917401 4.674850 6.839739 2.721981 4.127861 7.753729 2.156728 7.378557 6.512900 8.224853 4.765249 8.048214 1.082487 3.394747 2.137263 3.872481 5.528058 7.431642 3.375486 4.201743 9.502048 7.878960 6.838629 4.869941 8.152545 7.510823 8.939630 4.913059 5.762333 4.629265 8.649213 0.000000 4.865918 5.117516 4.115963 5.624567 3.092159 4.671038 4.038637 5.866369 5.321428 4.098923 5.475664 2.711356 2.727639 7.136499 2.160668 6.504510 4.374222 7.943295 6.117852 7.662828 3.397715 1.082850 3.871588 2.133607 3.593141 4.539016 3.371853 4.190682 6.131644 6.226170 4.585209 2.291596 7.642313 6.565105 8.947857 6.625507 6.582928 6.469767 8.501159 4.300362 0.000000 2.872658 8.176381 6.237722 9.974440 6.463792 6.288901 4.938298 9.079417 8.933790 6.826432 8.637690 4.654030 5.960401 9.928877 3.414733 9.128395 8.001563 10.348018 7.215779 9.968703 2.152571 3.871684 1.082732 3.405825 6.759461 8.762043 2.154152 5.215183 10.797965 9.930487 8.646478 6.400140 10.423889 9.030395 11.128139 7.371162 8.188458 7.029553 10.493201 2.465416 4.954280 0.000000 2.872087 7.544167 5.713752 7.665850 4.405834 6.773335 5.828544 8.192744 7.761146 6.441317 7.605840 4.644451 5.087622 9.454086 3.415158 8.441907 6.386694 10.126763 8.168575 9.663596 3.872619 2.153363 3.406170 1.082603 5.301691 6.495483 2.153315 5.214663 7.995575 8.673880 6.998807 4.738638 10.027611 8.266922 11.135454 8.602275 8.781650 8.355011 10.375939 4.955058 2.459190 4.298693 0.000000 8.385508 5.121892 3.918697 2.069276 2.472786 5.936372 6.109338 4.240436 4.160647 4.947046 3.485963 5.211379 4.348554 5.583377 5.586312 4.441453 2.127509 6.221702 7.055299 5.736349 6.859389 5.011615 7.528041 5.883001 2.595449 1.086123 7.087587 4.896470 2.484304 4.832514 3.273237 3.713162 6.307625 4.404751 7.291013 7.929093 6.910963 7.384555 6.542591 7.495278 4.122090 8.551193 5.829936 0.000000 5.168436 5.761176 2.096061 6.257183 2.610679 4.410999 3.548441 5.615721 5.916631 4.597941 4.763207 3.081528 3.855006 6.582074 2.675499 5.096644 4.051808 6.821140 5.466773 6.145399 3.032462 2.949779 3.575039 3.507374 2.667393 4.983503 3.770616 1.088703 7.267141 7.004230 5.604156 4.228405 7.365637 4.834032 7.743621 6.226581 6.037620 5.224051 6.658713 3.493926 3.354007 4.309215 4.204814 4.940585 0.000000 6.365551 6.647933 2.087956 6.247300 2.726118 5.533593 4.931160 5.821083 6.490515 5.693784 4.662431 4.646787 5.167670 6.680369 4.447907 4.556169 4.036512 6.603637 6.368535 5.617961 4.758623 4.571409 5.157360 4.986740 2.704596 5.004999 5.251833 1.091259 7.302405 7.548025 6.227870 5.466600 7.624070 3.949630 7.503581 7.273457 6.757893 5.959155 5.900129 5.099436 4.769850 5.746131 5.466943 5.019027 1.786761 0.000000 6.583918 5.910887 2.025159 6.716523 3.712922 4.332360 3.674440 5.413557 6.085143 4.870837 4.553698 3.838072 4.618122 6.053498 3.900415 4.451858 4.366216 5.975553 4.957322 5.216973 3.982346 4.567731 4.695293 5.206766 3.244731 5.576650 5.247350 1.087497 7.936795 7.145847 6.068889 5.247053 6.884183 4.174170 6.762967 5.799119 5.487611 4.399078 5.531228 3.964344 4.954842 5.169397 5.970038 5.829084 1.786526 1.788905 0.000000 10.697543 6.457745 6.122183 2.091907 4.874377 7.859980 8.292308 5.275648 5.167198 6.732803 4.792766 7.474193 6.396798 6.384029 7.983040 5.584089 3.953017 6.997833 8.802308 6.641095 9.297453 7.378051 9.981726 8.212022 4.882468 2.654589 9.479398 7.219766 1.092089 5.370605 4.386409 5.681826 6.974092 5.619540 7.949363 9.662349 8.407519 9.221073 7.382986 9.907660 6.403221 11.017455 8.017524 2.485021 7.384087 7.235780 8.099262 0.000000 10.216983 5.379734 6.108224 2.089781 4.941418 6.999254 7.489681 4.853020 4.245849 5.732155 4.755091 6.610809 5.375109 6.041007 7.208978 5.887383 3.941913 6.965333 8.008225 6.895761 8.594583 6.634010 9.357844 7.584739 4.899766 2.672294 8.895558 7.239749 1.091916 4.356504 3.331043 4.544442 6.428957 6.171591 7.917247 8.734426 7.641827 8.602478 7.808078 9.195084 5.593712 10.425130 7.444715 2.550277 7.220436 7.499498 8.080827 1.794422 0.000000 11.730728 5.868915 6.721511 2.035618 5.925913 7.686723 8.379904 4.780497 4.497173 6.488984 4.763449 7.712207 6.458198 5.684774 8.488962 5.655081 4.383613 6.453587 8.452729 6.437478 9.843647 8.082042 10.705742 9.102019 5.633360 3.238690 10.357153 7.999334 1.087745 4.347554 3.916100 5.814959 6.048783 5.999342 7.289817 9.237889 7.885529 8.998939 7.264303 10.330649 7.097550 11.745805 9.034966 3.535410 8.199204 8.201541 8.746549 1.786780 1.786711 0.000000 C22H21ClN2O4 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 0 391.6993999999997 AuxInfo=1/0/N:8;9;10;11;12;13;14;15;16;17;18;19;20;21;22;23;24;25;26;27;28;29;1;6;7;2;3;4;5;30;31;32;33;34;35;36;37;38;39;40;41;42;43;44;45;46;47;48;49;50/rA:50nCl0O0O0O0O0N0N0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:6.7492,.8882,.293;-2.1051,-1.487,-2.0207;-.2474,.3363,1.799;-3.1842,2.7812,-.9241;.4687,2.2866,.9341;-.4779,-2.5527,-.6988;.8114,-2.4206,-.3047;-3.3476,-.3307,-.2583;-2.8977,-.2945,-1.6966;-.8672,-1.5085,-1.4744;-2.792,.4872,.7428;1.2262,-1.2534,-.8234;.2006,-.637,-1.5754;-4.3266,-1.2716,.0893;2.5835,-.7486,-.5754;-3.2421,.3392,2.0643;-1.7564,1.5194,.4525;-4.758,-1.4144,1.4025;-1.262,-3.7191,-.3273;-4.2109,-.6005,2.3965;3.5549,-1.5481,.0465;2.9281,.5645,-.9283;4.828,-1.0561,.3135;4.1986,1.0704,-.6699;-.4171,1.4468,1.0597;-1.9977,2.5886,-.338;5.135,.2523,-.0478;1.0129,.2015,2.4961;-3.2821,3.9373,-1.7898;-3.7489,-.3544,-2.3729;-2.3124,.5881,-1.9431;.2184,.3002,-2.1046;-4.7468,-1.9004,-.6886;-2.8182,.972,2.8354;-5.5167,-2.148,1.65;-.9834,-4.5813,-.9369;-2.3153,-3.4917,-.4773;-1.0869,-3.9431,.7243;-4.5415,-.6948,3.4247;3.3148,-2.5654,.3281;2.1968,1.213,-1.3945;5.5687,-1.6822,.7948;4.4502,2.0876,-.9419;-1.2299,3.3333,-.5266;1.8467,.2442,1.7974;1.1102,.9897,3.2445;.9709,-.7735,2.976;-3.0717,4.8482,-1.2253;-2.5874,3.8367,-2.6261;-4.3069,3.9516,-2.1543; 0.2684963 0.0957757 0.0858257 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= 772 RedAO= T EigKep= 1.29D-06 NBF= 772 NBsUse= 765 1.00D-06 EigRej= 9.26D-07 NBFU= 765 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= 786 783 783 786 786 MxSgAt= 50 MxSgA2= 50. 1 Closed 1 1 1 -1721.98608264040 -1721.98608264043 -0.000000000034 -1721.98608264 2 1.715635229239e+03 -9.959336340809e+03 3.560659540240e+03 Using DIIS extrapolation, IDIIS= 1040. NGot= 1415577600 LenX= 1414279281 LenY= 1413636879 Requested convergence on RMS density matrix=1.00D-08 within 128 cycles. Requested convergence on MAX density matrix=1.00D-06. Requested convergence on energy=1.00D-06. No special actions if energy rises. Fock matrices will be formed incrementally for 20 cycles. 1 Singlet-A 4.2113 294.41 0.0014 0.000 108 109 0.70293 -1721.83131949 2 Singlet-A 4.4645 277.71 0.3921 0.000 106 109 0.20456 107 109 0.41153 108 110 0.51289 3 Singlet-A 4.5088 274.98 0.2236 0.000 106 109 0.19742 107 109 0.48595 108 110 -0.43956 108 112 -0.10144 4 Singlet-A 4.6186 268.44 0.0345 0.000 103 110 0.19053 104 110 -0.13648 106 110 -0.13326 107 110 -0.25614 108 110 -0.14860 108 111 0.29085 108 112 0.48916 5 Singlet-A 4.6427 267.05 0.0972 0.000 104 109 0.14238 106 109 0.61247 107 109 -0.24222 107 111 0.10886 6 Singlet-A 4.7125 263.10 0.0453 0.000 103 110 0.10143 106 110 0.15580 107 110 0.61296 108 112 0.25784 7 Singlet-A 4.7850 259.11 0.0047 0.000 106 111 0.14907 108 111 0.60603 108 112 -0.28072 8 Singlet-A 4.8270 256.85 0.0102 0.000 104 109 -0.11448 105 109 -0.19684 105 113 0.13943 106 111 -0.16964 107 111 0.57946 107 112 -0.11276 9 Singlet-A 4.9004 253.01 0.0449 0.000 106 110 0.65848 107 110 -0.19775 10 Singlet-A 4.9806 248.93 0.0093 0.000 104 109 -0.15828 105 109 0.38269 106 111 0.22011 107 111 0.25451 107 113 0.38576 PT66330.600S Wed Oct 9 11:42:55 2024 -101.55828 -19.17774 -19.17234 -19.16356 -19.11428 -14.39279 -14.33070 -10.31172 -10.26298 -10.25117 -10.23998 -10.22947 -10.22063 -10.21502 -10.20511 -10.20105 -10.19656 -10.19539 -10.18902 -10.18873 -10.18762 -10.18750 -10.18402 -10.18325 -10.17763 -10.17751 -10.17697 -10.17642 -10.16378 -9.47284 -7.23722 -7.22782 -7.22746 -1.11189 -1.09024 -1.08792 -1.04222 -1.02163 -0.89736 -0.87362 -0.86135 -0.83350 -0.81835 -0.79435 -0.76896 -0.76123 -0.75447 -0.74995 -0.73871 -0.70359 -0.69722 -0.68771 -0.63219 -0.62536 -0.62288 -0.61219 -0.59756 -0.58686 -0.56327 -0.55904 -0.54576 -0.53970 -0.51956 -0.50331 -0.49857 -0.49786 -0.48892 -0.48762 -0.48244 -0.47657 -0.47220 -0.46756 -0.46527 -0.45460 -0.44820 -0.44522 -0.43519 -0.43210 -0.43022 -0.42249 -0.41872 -0.41052 -0.40790 -0.40398 -0.40012 -0.39390 -0.37996 -0.37520 -0.37236 -0.36835 -0.36278 -0.36136 -0.35983 -0.35067 -0.34615 -0.34256 -0.32448 -0.32092 -0.31404 -0.29952 -0.29723 -0.28382 -0.27100 -0.26807 -0.26120 -0.24337 -0.23610 -0.22491 -0.04965 -0.04339 -0.02942 -0.02587 -0.02107 0.00272 0.00749 0.00973 0.01536 0.01740 0.02075 0.02641 0.02907 0.03408 0.03433 0.03960 0.04276 0.04460 0.04623 0.05132 0.05484 0.05819 0.06075 0.06233 0.06714 0.06786 0.06994 0.07408 0.07487 0.07952 0.08158 0.08755 0.08904 0.09319 0.09509 0.09614 0.09873 0.10132 0.10375 0.10706 0.10951 0.11286 0.11848 0.12085 0.12349 0.12737 0.12862 0.13048 0.13292 0.13533 0.13800 0.14117 0.14374 0.14557 0.14775 0.15086 0.15175 0.15777 0.15984 0.16199 0.16419 0.16462 0.16596 0.16767 0.17060 0.17525 0.17907 0.18302 0.18401 0.18483 0.18804 0.19264 0.19522 0.19683 0.19875 0.20184 0.20342 0.20477 0.20771 0.20885 0.21193 0.21520 0.21575 0.21735 0.21807 0.22084 0.22346 0.22457 0.22576 0.22853 0.22988 0.23125 0.23391 0.23604 0.23863 0.24418 0.24490 0.24723 0.24919 0.25186 0.25393 0.25542 0.25878 0.25989 0.26292 0.26485 0.26919 0.27013 0.27155 0.27523 0.27720 0.27940 0.28291 0.28516 0.28621 0.29220 0.29390 0.29689 0.29933 0.30254 0.30626 0.30753 0.30933 0.31438 0.31898 0.32201 0.32339 0.32842 0.33051 0.33536 0.33759 0.34094 0.34193 0.34580 0.35000 0.35396 0.36017 0.36187 0.36327 0.36683 0.37101 0.37614 0.37770 0.37923 0.38391 0.38530 0.39230 0.40121 0.40260 0.40737 0.41013 0.41547 0.42254 0.42365 0.43041 0.43395 0.44045 0.44448 0.44721 0.45376 0.45544 0.46206 0.46335 0.46908 0.47625 0.48390 0.48885 0.49077 0.49775 0.50091 0.50500 0.50879 0.51632 0.51808 0.52911 0.53123 0.53487 0.54362 0.54526 0.55453 0.55775 0.56190 0.56357 0.57254 0.57483 0.57630 0.58169 0.58796 0.58967 0.59369 0.59906 0.60100 0.60610 0.61688 0.61942 0.62476 0.62874 0.63373 0.64124 0.64243 0.65239 0.65621 0.66305 0.66889 0.66970 0.67352 0.67974 0.68151 0.68652 0.69184 0.69339 0.69799 0.70052 0.70629 0.70771 0.71249 0.71772 0.72203 0.72511 0.72640 0.73164 0.73500 0.74469 0.74515 0.74791 0.75076 0.75328 0.75565 0.76096 0.76390 0.77061 0.77550 0.77893 0.78249 0.79277 0.79752 0.79783 0.80385 0.80562 0.81233 0.82680 0.83039 0.83360 0.84087 0.84636 0.84935 0.85369 0.86164 0.86267 0.86694 0.87006 0.87550 0.87928 0.88052 0.89051 0.89426 0.89807 0.90646 0.91059 0.91725 0.91929 0.93072 0.93452 0.93660 0.94763 0.95358 0.95729 0.96483 0.97324 0.98573 0.98618 0.99002 0.99738 1.00257 1.00812 1.01279 1.02292 1.02576 1.03449 1.04466 1.04699 1.05900 1.06622 1.07055 1.07509 1.07898 1.08106 1.08758 1.09195 1.09373 1.09994 1.10936 1.11060 1.11899 1.12546 1.13532 1.13921 1.15687 1.16342 1.16735 1.17471 1.17815 1.18358 1.19200 1.19560 1.21163 1.21921 1.22552 1.24403 1.25269 1.26276 1.27344 1.28549 1.29173 1.29574 1.30112 1.31067 1.31641 1.32650 1.33058 1.33612 1.34800 1.35224 1.36402 1.38357 1.39543 1.40286 1.42217 1.42517 1.42755 1.44417 1.44449 1.44760 1.46462 1.47543 1.48580 1.49471 1.50496 1.50883 1.51441 1.51653 1.52108 1.53147 1.53268 1.54179 1.55033 1.55836 1.56172 1.56581 1.57042 1.57470 1.57994 1.58174 1.58478 1.59825 1.60011 1.60773 1.61298 1.61532 1.62455 1.63238 1.63574 1.63727 1.64790 1.65937 1.66819 1.67334 1.68014 1.68445 1.68753 1.69195 1.69767 1.70533 1.71162 1.71753 1.72269 1.73089 1.73864 1.74280 1.75000 1.75268 1.76072 1.76415 1.76779 1.77770 1.78518 1.79205 1.80192 1.81046 1.81914 1.82732 1.83741 1.84427 1.84642 1.86842 1.87456 1.88176 1.88444 1.88876 1.89924 1.90483 1.91339 1.91412 1.92142 1.92915 1.93595 1.93724 1.94863 1.95689 1.96180 1.96535 1.96852 1.97234 1.97698 1.98319 1.98906 1.99145 1.99393 2.01236 2.01900 2.02335 2.04029 2.04897 2.07005 2.07373 2.08111 2.08402 2.08803 2.09152 2.10521 2.11777 2.12180 2.13294 2.13795 2.14476 2.15693 2.15921 2.17125 2.18509 2.19133 2.20723 2.21672 2.22488 2.24109 2.24412 2.25891 2.27504 2.29087 2.29512 2.32659 2.33189 2.34814 2.35539 2.37714 2.39273 2.40168 2.40548 2.42537 2.43004 2.43276 2.43698 2.44594 2.45526 2.47085 2.47919 2.48323 2.49506 2.50389 2.51330 2.52746 2.53351 2.53927 2.54461 2.55132 2.56080 2.57220 2.58584 2.59271 2.60762 2.61946 2.62242 2.62485 2.63680 2.64097 2.64553 2.65553 2.66821 2.67238 2.68564 2.69161 2.70617 2.71423 2.71532 2.72390 2.73407 2.73978 2.75590 2.75898 2.76281 2.76992 2.77253 2.77994 2.78574 2.79098 2.80289 2.80948 2.81604 2.82472 2.83605 2.83976 2.84692 2.85062 2.85375 2.85863 2.86579 2.86738 2.88135 2.88782 2.89929 2.90396 2.91616 2.91967 2.93436 2.93891 2.94498 2.95759 2.96974 2.97322 2.99437 3.01316 3.01951 3.02139 3.03465 3.04509 3.05263 3.07391 3.08282 3.09046 3.10043 3.10517 3.12246 3.14950 3.15910 3.16819 3.18129 3.18603 3.19043 3.19887 3.21111 3.22712 3.23928 3.25319 3.26090 3.28750 3.30037 3.31398 3.33994 3.36266 3.36576 3.37603 3.38446 3.40182 3.42118 3.44210 3.46671 3.47221 3.49630 3.51555 3.56283 3.58140 3.60232 3.61286 3.62394 3.67199 3.68165 3.73197 3.76328 3.78416 3.79375 3.80565 3.81382 3.81656 3.83962 3.84895 3.86979 3.88535 3.90528 3.91187 3.98192 4.00338 4.02977 4.03527 4.04963 4.06968 4.08164 4.08994 4.11494 4.15876 4.16438 4.16837 4.20176 4.23262 4.27390 4.33666 4.36085 4.42897 4.49644 4.71220 4.84050 4.85717 5.01606 5.04157 5.13608 5.14653 5.17785 5.24984 5.39735 5.40798 5.44250 5.45782 5.64697 5.79626 5.80946 5.91516 9.77912 23.61061 23.64656 23.76161 23.79871 23.86925 23.88281 23.92303 23.94324 23.95493 23.96254 23.96561 23.97475 23.99543 23.99964 24.04594 24.05455 24.10025 24.10110 24.16215 24.17372 24.18178 24.21420 25.83586 26.11652 26.59835 35.55772 35.63350 49.92227 49.95073 49.98969 50.05592 215.77123 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 50 Cl O O O O N N C C C 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 0.367789 -0.168584 0.025260 -0.101509 -0.367528 0.397352 -0.429931 0.421413 -0.555846 -0.270549 0.246713 0.449283 -0.091113 -0.055971 0.393970 -0.232554 0.273387 -0.362357 -0.279262 -0.347911 -0.628275 -0.751846 -0.617294 -0.557511 -0.302217 -0.284075 0.566993 -0.291029 -0.255832 0.206515 0.185980 0.167364 0.155632 0.160171 0.165427 0.192830 0.192683 0.190458 0.167073 0.168404 0.169441 0.182012 0.181138 0.193172 0.214215 0.188256 0.189070 0.177288 0.180852 0.181054 -0.00000 -8.2249 1.8265 -1.7677 8.6087 -182.7743 -155.9930 -164.7262 -7.6514 7.2781 -18.7368 -14.9431 11.8382 3.1050 -7.6514 7.2781 -18.7368 -205.8861 52.9239 31.3728 -87.2354 -31.7950 -6.6987 -38.1000 35.9422 -46.2258 18.2147 -12731.4222 -2939.5855 -1771.0652 -77.1673 160.5202 -178.2722 -189.1402 44.8550 -72.2318 -2270.6814 -2177.4418 -824.6428 -203.1803 121.6569 -57.5270 (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A) (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(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-HAMILTON20 APULGAR 2024-10-09T00:00:00.000 0 Electronic spectrum pyraoxystrobin CONF30 water 0 1 Version=EM64L-G16RevC.01 State=1-A HF=-1721.9860826 RMSD=2.803e-09 PG=C01 [X(C22H21Cl1N2O4)] 0 5.9702914093 -2.8767943704 1.3412214456 0 -1.495555855 1.3688473 -2.612173636 0 -0.9130761421 -0.8421687848 1.4050030458 0 -1.7439527397 3.7725743605 1.2277327887 0 0.5809355313 0.5510427516 2.3491598674 0 -0.8832250712 -0.893736197 -2.4205528523 0 0.123920427 -1.6780720664 -1.9673317302 0 -2.9831664572 1.538711812 -0.6769836879 0 -2.0024695806 2.2627927664 -1.5637307988 0 -0.6352833515 0.4188290269 -2.1775994066 0 -2.6797011693 1.1327659036 0.6355890259 0 1.0064716308 -0.8370472868 -1.4039832859 0 0.5733231512 0.5037377161 -1.5127565569 0 -4.2313013038 1.2123110257 -1.2249442447 0 2.2311945679 -1.3346163581 -0.7628022288 0 -3.6435477182 0.4153820499 1.3616941957 0 -1.3806907836 1.4510698253 1.2938628371 0 -5.1740416331 0.4944720591 -0.4989823997 0 -2.0302259842 -1.4647763905 -3.1073250372 0 -4.8762149794 0.0946825189 0.8053016197 0 2.6202755292 -2.6777794295 -0.8808867907 0 3.0245442066 -0.4772329827 0.0138279488 0 3.760151223 -3.1551472031 -0.2429704905 0 4.1693153946 -0.9394128463 0.6562606585 0 -0.4695758379 0.3830305857 1.737695315 0 -0.9903377732 2.7179263951 1.5565835893 0 4.5226638139 -2.2774570614 0.5219090599 0 -0.123912274 -1.9675493956 1.8556601354 0 -1.1747040407 5.0718209038 1.516635502 0 -2.4933217206 3.0621827754 -2.1164957193 0 -1.1554889979 2.676649335 -1.0218553175 0 1.0508126547 1.4008386094 -1.1578367421 0 -4.4551901976 1.5264018578 -2.2390098251 0 -3.4125842382 0.1062962651 2.3746310209 0 -6.1337467135 0.2528956209 -0.9413479476 0 -1.771302354 -1.7320631005 -4.1340236717 0 -2.832713292 -0.7302029782 -3.1131623059 0 -2.358106467 -2.3538151747 -2.5698982794 0 -5.603429142 -0.4601707049 1.3873446364 0 2.0258832188 -3.3599257708 -1.475152719 0 2.7433238937 0.5609612875 0.1388598771 0 4.0495981643 -4.1939010353 -0.3405423898 0 4.7699366966 -0.2689110409 1.2576843615 0 -0.0433380544 2.9245301499 2.0466554481 0 0.8984444829 -1.893279049 1.4888561867 0 -0.1287277328 -2.0125295795 2.9459810326 0 -0.61283379 -2.8446724165 1.438214157 0 -0.9739225514 5.1647001852 2.5860830295 0 -0.2572017012 5.2130436161 0.9417213045 0 -1.9228786029 5.8002524079 1.2119872395 Gaussian 16 9-Oct-2024 Gaussian 16 3-Jul-2019 EM64L-G16RevC.01 144 C1[X(C22H21ClN2O4)] 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 0 391.6993999999997 AuxInfo=1/0/N:8;9;10;11;12;13;14;15;16;17;18;19;20;21;22;23;24;25;26;27;28;29;1;6;7;2;3;4;5;30;31;32;33;34;35;36;37;38;39;40;41;42;43;44;45;46;47;48;49;50/rA:50nCl0O0O0O0O0N0N0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:5.9703,-2.8768,1.3412;-1.4956,1.3688,-2.6122;-.9131,-.8422,1.405;-1.744,3.7726,1.2277;.5809,.551,2.3492;-.8832,-.8937,-2.4206;.1239,-1.6781,-1.9673;-2.9832,1.5387,-.677;-2.0025,2.2628,-1.5637;-.6353,.4188,-2.1776;-2.6797,1.1328,.6356;1.0065,-.837,-1.404;.5733,.5037,-1.5128;-4.2313,1.2123,-1.2249;2.2312,-1.3346,-.7628;-3.6435,.4154,1.3617;-1.3807,1.4511,1.2939;-5.174,.4945,-.499;-2.0302,-1.4648,-3.1073;-4.8762,.0947,.8053;2.6203,-2.6778,-.8809;3.0245,-.4772,.0138;3.7602,-3.1551,-.243;4.1693,-.9394,.6563;-.4696,.383,1.7377;-.9903,2.7179,1.5566;4.5227,-2.2775,.5219;-.1239,-1.9675,1.8557;-1.1747,5.0718,1.5166;-2.4933,3.0622,-2.1165;-1.1555,2.6766,-1.0219;1.0508,1.4008,-1.1578;-4.4552,1.5264,-2.239;-3.4126,.1063,2.3746;-6.1337,.2529,-.9413;-1.7713,-1.7321,-4.134;-2.8327,-.7302,-3.1132;-2.3581,-2.3538,-2.5699;-5.6034,-.4602,1.3873;2.0259,-3.3599,-1.4752;2.7433,.561,.1389;4.0496,-4.1939,-.3405;4.7699,-.2689,1.2577;-.0433,2.9245,2.0467;.8984,-1.8933,1.4889;-.1287,-2.0125,2.946;-.6128,-2.8447,1.4382;-.9739,5.1647,2.5861;-.2572,5.213,.9417;-1.9229,5.8003,1.212; 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 pyraoxystrobin CONF30 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 50 35 16 16 16 16 14 14 12 12 12 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 34.9688527 15.9949146 15.9949146 15.9949146 15.9949146 14.0030740 14.0030740 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 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 3 0 0 0 0 2 2 0 0 0 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 14.2400000 5.6000000 5.6000000 5.6000000 5.6000000 4.5500000 4.5500000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 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 (Enter /usr/local/gaussian/gaussian16/g16/l101.exe) 6-311+G(3df,2p) (5D, 7F) 0.10000e-02 0.10000e-05 F 1502 A 1328 A 1328 1930 1502 108 108 2961.1006547289 50 50 50 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 -0.0615048948 PCM SMD-Coulomb. Total charges None On-the-fly selection Water 78.355300 1.777849 0.000000 9.454823 0.000000 7.178058 4.622292 0.000000 10.185114 4.537013 4.692295 0.000000 6.466155 5.440170 2.250454 4.128071 0.000000 8.065616 2.351798 3.826020 5.985423 5.194354 0.000000 6.823746 3.510305 3.625843 6.588394 4.879540 1.354597 0.000000 10.185001 2.446794 3.780018 3.186493 4.778688 3.656035 4.654749 0.000000 9.920636 1.468105 4.431811 3.184107 4.991471 3.456953 4.496092 1.507442 0.000000 8.177827 1.353314 3.808192 4.906429 4.689160 1.357693 2.239999 3.003088 2.376181 0.000000 9.560171 3.464953 2.759226 2.862665 3.729139 4.083386 4.747241 1.407029 2.563710 3.550124 0.000000 6.027954 3.547652 3.402219 5.978242 4.024172 2.146528 1.342975 4.699997 4.322991 2.207049 4.650579 0.000000 6.978571 2.497477 3.540363 4.854415 3.862214 2.213269 2.273520 3.797144 3.119548 1.382011 3.948827 1.413207 0.000000 11.286208 3.071353 4.706180 4.330990 6.030681 4.132134 5.279527 1.401656 2.487163 3.803750 2.423917 5.627272 4.865113 0.000000 4.559175 4.961609 3.850756 6.771073 3.995419 3.555576 2.451419 5.954237 5.613087 3.645945 5.671011 1.469229 2.586603 6.961628 0.000000 10.161926 4.616773 3.006457 3.859682 4.340478 4.861951 5.445988 2.419541 3.829383 4.645026 1.403876 5.553398 5.104143 2.769702 6.487571 0.000000 8.530509 3.908590 2.343066 2.350684 2.402432 4.420687 4.763483 2.541623 3.035020 3.697594 1.490661 4.267599 3.548622 3.811479 5.003562 2.489532 0.000000 11.787618 4.331439 4.854647 5.049060 6.421439 4.902108 5.911379 2.433527 3.784114 4.839814 2.813611 6.386761 5.836097 1.389630 7.632345 2.410557 4.303357 0.000000 9.262378 2.925828 4.690071 6.804743 6.376121 1.453738 2.446513 3.979396 4.034628 2.521552 4.602005 3.537930 3.632653 3.943968 4.865535 5.109788 5.319258 4.530528 0.000000 11.258934 4.973076 4.116285 4.849371 5.689662 5.227531 5.985943 2.804643 4.309458 5.195024 2.435383 6.352563 5.936176 2.405599 7.417352 1.389924 3.781160 1.396313 5.083327 0.000000 4.024920 6.025995 4.591223 8.068447 5.001740 4.222310 2.900270 7.015621 6.800390 4.676442 6.701471 2.503255 3.835534 7.886399 1.403358 7.337050 6.146923 8.423800 5.296751 8.168669 0.000000 4.024586 5.543934 4.192064 6.501768 3.533037 4.622807 3.712227 6.374468 5.938628 4.358855 5.959622 2.492443 3.049795 7.552245 1.402735 6.861265 4.976237 8.271880 6.022254 7.960874 2.409637 0.000000 2.733471 7.328172 5.468523 8.969473 5.528327 5.605068 4.286881 8.227576 8.019120 5.986313 7.786512 3.782101 5.015543 9.159819 2.433571 8.374866 7.071587 9.654277 6.677601 9.286931 1.390731 2.788958 0.000000 2.732423 6.935524 5.138168 7.582621 4.238377 5.915829 4.877917 7.686133 7.298864 5.741059 7.155654 3.776065 4.440549 8.873512 2.434387 7.960775 6.076472 9.523074 7.271513 9.105668 2.790030 1.391701 2.426007 0.000000 7.228799 4.576661 1.344801 3.656926 1.227066 4.369470 4.281075 3.672113 4.096667 3.918963 2.580968 3.679327 3.415794 4.859580 4.061645 3.196329 1.472354 5.210292 5.415186 4.513421 5.076683 3.990069 5.859380 4.943447 0.000000 8.932952 4.410646 3.564158 1.337296 2.791498 5.373378 5.743201 3.217256 3.311785 4.399549 2.492973 5.038853 4.094938 4.528534 5.672823 3.518411 1.351415 5.164541 6.350466 4.748250 6.934799 5.358023 7.765213 6.388171 2.399111 0.000000 1.768079 7.703050 5.690973 8.739082 5.184253 6.308439 5.089649 8.505174 8.218341 6.415740 7.969731 4.259982 5.241393 9.584460 2.791104 8.639655 7.024772 10.136662 7.534730 9.697746 2.397327 2.396522 1.391692 1.390420 5.786086 7.511165 0.000000 6.183097 5.742342 1.446497 5.997320 2.661514 4.473883 3.841938 5.184929 5.754738 4.714179 4.199117 3.630575 4.235520 6.039228 3.578195 4.279042 3.685385 6.091773 5.340228 5.285871 3.940010 3.940326 4.571716 4.574651 2.378787 4.774288 4.844131 0.000000 10.689351 5.555360 5.920826 1.447602 4.920651 7.153620 7.706199 4.534905 4.250234 5.965625 4.307832 6.942785 5.753277 5.635145 7.605157 5.272724 3.633441 6.403869 8.052331 6.243323 8.955796 7.119278 9.753564 8.089111 4.746665 2.361442 9.352078 7.125436 0.000000 10.902294 2.026973 5.490181 3.500011 5.974861 4.281840 5.416846 2.152465 1.088811 3.231619 3.366208 5.287743 4.039115 2.690253 6.594345 4.519555 3.932452 4.049166 4.657205 4.798035 7.786063 6.892937 9.015055 8.251768 5.111574 3.983589 9.203097 6.833032 4.356265 0.000000 9.338181 2.086889 4.281412 2.570601 4.347081 3.844234 4.636207 2.180423 1.087328 2.589230 2.730187 4.143206 2.819809 3.412646 5.256138 4.121295 2.629698 4.602614 4.718660 4.883529 6.553333 5.337817 7.666814 6.651731 3.653257 2.584052 7.692061 5.559931 3.490151 1.771065 0.000000 6.981741 2.932595 3.931423 4.373418 3.638951 3.255768 3.315736 4.064876 3.198476 2.201631 4.147888 2.251819 1.076455 5.285903 3.005340 5.418134 3.453341 6.324903 4.637354 6.378841 4.378931 2.965732 5.379080 4.300324 3.425145 3.642677 5.329649 4.669816 5.057849 4.029886 2.552244 0.000000 11.869998 2.987224 5.606740 4.941093 6.882237 4.318444 5.595598 2.146376 2.648417 3.977710 3.401563 6.009402 5.182589 1.084946 7.421075 3.854633 4.683952 2.146933 3.947350 3.390415 8.341574 8.064506 9.664001 9.425759 5.745137 5.275553 10.133799 6.908979 6.118534 2.494506 3.700346 5.612555 0.000000 9.899754 5.489741 2.843819 4.188234 4.018289 5.512850 5.877370 3.398318 4.706336 5.341711 2.148261 5.890321 5.581863 3.853636 6.616038 1.083937 2.665533 3.392796 5.867796 2.145960 7.398978 6.881171 8.302830 7.844202 3.023833 3.654735 8.490172 3.922439 5.513683 5.454588 4.820510 5.837472 4.938563 0.000000 12.708769 5.054683 5.827515 6.030202 7.483535 5.574118 6.628701 3.413117 4.636216 5.638169 3.897606 7.237729 6.736039 2.149466 8.516121 3.395806 5.387330 1.084011 4.947801 2.158055 9.231761 9.236869 10.487693 10.494143 6.267140 6.226612 11.050018 6.990833 7.338653 4.746131 5.537519 7.278910 2.474530 4.292078 0.000000 9.550968 3.465214 5.675322 7.684414 7.264796 2.104152 2.879121 4.910978 4.755914 3.121614 5.637521 3.996274 4.167387 4.814943 5.248150 6.190294 6.304511 5.454321 1.092059 6.113462 5.546462 6.463700 6.911038 7.672422 6.375359 7.266039 7.847877 6.216563 8.864464 5.251335 5.431534 5.161114 4.627302 6.959595 5.758833 0.000000 10.096647 2.538699 4.910332 6.348525 6.567462 2.075321 3.309542 3.332503 3.471032 2.650330 4.188938 4.203814 3.960428 3.048734 5.615396 4.689793 5.127201 3.716932 1.087942 4.495631 6.205739 6.644511 7.588427 7.954918 5.509494 6.090195 8.349210 5.792912 7.605755 3.935825 4.335123 4.842149 2.913561 5.581385 4.071865 1.781144 0.000000 9.215887 3.821518 4.491439 7.234075 6.424430 2.080723 2.642002 4.373282 4.738346 3.287792 4.747085 3.870443 4.228054 4.246765 5.036472 4.977774 5.510094 4.508983 1.089368 4.871138 5.267067 6.258604 6.594680 7.417268 5.441713 6.679911 7.543879 4.972564 8.558053 5.436625 5.398916 5.264226 4.423046 5.622494 4.868529 1.782527 1.776655 0.000000 11.823418 6.017979 4.705916 5.730372 6.339874 6.080164 6.748309 3.888799 5.393541 6.177697 3.413322 7.185008 6.891442 3.391752 8.171237 2.146715 4.636065 2.157301 5.829157 1.084194 8.814305 8.736633 9.879143 9.811763 5.214421 5.604423 10.324208 5.702334 7.087542 5.861454 5.952147 7.363439 4.291313 2.468891 2.492491 6.840206 5.291913 5.456902 0.000000 4.870702 6.004552 4.824094 8.508220 5.657642 3.929222 2.586181 7.051546 6.917401 4.674850 6.839739 2.721981 4.127861 7.753729 2.156728 7.378557 6.512900 8.224853 4.765249 8.048214 1.082487 3.394747 2.137263 3.872481 5.528058 7.431642 3.375486 4.201743 9.502048 7.878960 6.838629 4.869941 8.152545 7.510823 8.939630 4.913059 5.762333 4.629265 8.649213 0.000000 4.865918 5.117516 4.115963 5.624567 3.092159 4.671038 4.038637 5.866369 5.321428 4.098923 5.475664 2.711356 2.727639 7.136499 2.160668 6.504510 4.374222 7.943295 6.117852 7.662828 3.397715 1.082850 3.871588 2.133607 3.593141 4.539016 3.371853 4.190682 6.131644 6.226170 4.585209 2.291596 7.642313 6.565105 8.947857 6.625507 6.582928 6.469767 8.501159 4.300362 0.000000 2.872658 8.176381 6.237722 9.974440 6.463792 6.288901 4.938298 9.079417 8.933790 6.826432 8.637690 4.654030 5.960401 9.928877 3.414733 9.128395 8.001563 10.348018 7.215779 9.968703 2.152571 3.871684 1.082732 3.405825 6.759461 8.762043 2.154152 5.215183 10.797965 9.930487 8.646478 6.400140 10.423889 9.030395 11.128139 7.371162 8.188458 7.029553 10.493201 2.465416 4.954280 0.000000 2.872087 7.544167 5.713752 7.665850 4.405834 6.773335 5.828544 8.192744 7.761146 6.441317 7.605840 4.644451 5.087622 9.454086 3.415158 8.441907 6.386694 10.126763 8.168575 9.663596 3.872619 2.153363 3.406170 1.082603 5.301691 6.495483 2.153315 5.214663 7.995575 8.673880 6.998807 4.738638 10.027611 8.266922 11.135454 8.602275 8.781650 8.355011 10.375939 4.955058 2.459190 4.298693 0.000000 8.385508 5.121892 3.918697 2.069276 2.472786 5.936372 6.109338 4.240436 4.160647 4.947046 3.485963 5.211379 4.348554 5.583377 5.586312 4.441453 2.127509 6.221702 7.055299 5.736349 6.859389 5.011615 7.528041 5.883001 2.595449 1.086123 7.087587 4.896470 2.484304 4.832514 3.273237 3.713162 6.307625 4.404751 7.291013 7.929093 6.910963 7.384555 6.542591 7.495278 4.122090 8.551193 5.829936 0.000000 5.168436 5.761176 2.096061 6.257183 2.610679 4.410999 3.548441 5.615721 5.916631 4.597941 4.763207 3.081528 3.855006 6.582074 2.675499 5.096644 4.051808 6.821140 5.466773 6.145399 3.032462 2.949779 3.575039 3.507374 2.667393 4.983503 3.770616 1.088703 7.267141 7.004230 5.604156 4.228405 7.365637 4.834032 7.743621 6.226581 6.037620 5.224051 6.658713 3.493926 3.354007 4.309215 4.204814 4.940585 0.000000 6.365551 6.647933 2.087956 6.247300 2.726118 5.533593 4.931160 5.821083 6.490515 5.693784 4.662431 4.646787 5.167670 6.680369 4.447907 4.556169 4.036512 6.603637 6.368535 5.617961 4.758623 4.571409 5.157360 4.986740 2.704596 5.004999 5.251833 1.091259 7.302405 7.548025 6.227870 5.466600 7.624070 3.949630 7.503581 7.273457 6.757893 5.959155 5.900129 5.099436 4.769850 5.746131 5.466943 5.019027 1.786761 0.000000 6.583918 5.910887 2.025159 6.716523 3.712922 4.332360 3.674440 5.413557 6.085143 4.870837 4.553698 3.838072 4.618122 6.053498 3.900415 4.451858 4.366216 5.975553 4.957322 5.216973 3.982346 4.567731 4.695293 5.206766 3.244731 5.576650 5.247350 1.087497 7.936795 7.145847 6.068889 5.247053 6.884183 4.174170 6.762967 5.799119 5.487611 4.399078 5.531228 3.964344 4.954842 5.169397 5.970038 5.829084 1.786526 1.788905 0.000000 10.697543 6.457745 6.122183 2.091907 4.874377 7.859980 8.292308 5.275648 5.167198 6.732803 4.792766 7.474193 6.396798 6.384029 7.983040 5.584089 3.953017 6.997833 8.802308 6.641095 9.297453 7.378051 9.981726 8.212022 4.882468 2.654589 9.479398 7.219766 1.092089 5.370605 4.386409 5.681826 6.974092 5.619540 7.949363 9.662349 8.407519 9.221073 7.382986 9.907660 6.403221 11.017455 8.017524 2.485021 7.384087 7.235780 8.099262 0.000000 10.216983 5.379734 6.108224 2.089781 4.941418 6.999254 7.489681 4.853020 4.245849 5.732155 4.755091 6.610809 5.375109 6.041007 7.208978 5.887383 3.941913 6.965333 8.008225 6.895761 8.594583 6.634010 9.357844 7.584739 4.899766 2.672294 8.895558 7.239749 1.091916 4.356504 3.331043 4.544442 6.428957 6.171591 7.917247 8.734426 7.641827 8.602478 7.808078 9.195084 5.593712 10.425130 7.444715 2.550277 7.220436 7.499498 8.080827 1.794422 0.000000 11.730728 5.868915 6.721511 2.035618 5.925913 7.686723 8.379904 4.780497 4.497173 6.488984 4.763449 7.712207 6.458198 5.684774 8.488962 5.655081 4.383613 6.453587 8.452729 6.437478 9.843647 8.082042 10.705742 9.102019 5.633360 3.238690 10.357153 7.999334 1.087745 4.347554 3.916100 5.814959 6.048783 5.999342 7.289817 9.237889 7.885529 8.998939 7.264303 10.330649 7.097550 11.745805 9.034966 3.535410 8.199204 8.201541 8.746549 1.786780 1.786711 0.000000 C22H21ClN2O4 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 0 391.6993999999997 AuxInfo=1/0/N:8;9;10;11;12;13;14;15;16;17;18;19;20;21;22;23;24;25;26;27;28;29;1;6;7;2;3;4;5;30;31;32;33;34;35;36;37;38;39;40;41;42;43;44;45;46;47;48;49;50/rA:50nCl0O0O0O0O0N0N0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:6.7492,.8882,.293;-2.1051,-1.487,-2.0207;-.2474,.3363,1.799;-3.1842,2.7812,-.9241;.4687,2.2866,.9341;-.4779,-2.5527,-.6988;.8114,-2.4206,-.3047;-3.3476,-.3307,-.2583;-2.8977,-.2945,-1.6966;-.8672,-1.5085,-1.4744;-2.792,.4872,.7428;1.2262,-1.2534,-.8234;.2006,-.637,-1.5754;-4.3266,-1.2716,.0893;2.5835,-.7486,-.5754;-3.2421,.3392,2.0643;-1.7564,1.5194,.4525;-4.758,-1.4144,1.4025;-1.262,-3.7191,-.3273;-4.2109,-.6005,2.3965;3.5549,-1.5481,.0465;2.9281,.5645,-.9283;4.828,-1.0561,.3135;4.1986,1.0704,-.6699;-.4171,1.4468,1.0597;-1.9977,2.5886,-.338;5.135,.2523,-.0478;1.0129,.2015,2.4961;-3.2821,3.9373,-1.7898;-3.7489,-.3544,-2.3729;-2.3124,.5881,-1.9431;.2184,.3002,-2.1046;-4.7468,-1.9004,-.6886;-2.8182,.972,2.8354;-5.5167,-2.148,1.65;-.9834,-4.5813,-.9369;-2.3153,-3.4917,-.4773;-1.0869,-3.9431,.7243;-4.5415,-.6948,3.4247;3.3148,-2.5654,.3281;2.1968,1.213,-1.3945;5.5687,-1.6822,.7948;4.4502,2.0876,-.9419;-1.2299,3.3333,-.5266;1.8467,.2442,1.7974;1.1102,.9897,3.2445;.9709,-.7735,2.976;-3.0717,4.8482,-1.2253;-2.5874,3.8367,-2.6261;-4.3069,3.9516,-2.1543; 0.2684963 0.0957757 0.0858257 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= 1328 RedAO= T EigKep= 1.00D-06 NBF= 1328 NBsUse= 1320 1.00D-06 EigRej= 6.61D-07 NBFU= 1320 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= 1454 1448 1448 1454 1454 MxSgAt= 50 MxSgA2= 50. 1 Closed 1 1 1 -1721.99213940952 -1722.07846515437 -0.086325744845 -1722.07850059256 -0.000035438190 -1722.07887874332 -0.000378150764 -1722.07892315916 -0.000044415842 -1722.07892892436 -0.000005765200 -1722.07892931789 -0.000000393526 -1722.07892934823 -0.000000030343 -1722.07892935349 -0.000000005256 -1722.07892935357 -0.000000000081 -1722.07892935380 -0.000000000236 -1722.07892935389 -0.000000000090 -1722.07892935 12 1.715223577964e+03 -9.959407958151e+03 3.561049962145e+03 Using DIIS extrapolation, IDIIS= 1040. NGot= 1415577600 LenX= 1411039997 LenY= 1408782491 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. PT67289.300S Wed Oct 9 16:19:13 2024 -101.55625 -19.17725 -19.17143 -19.16263 -19.11225 -14.39116 -14.32912 -10.30807 -10.26035 -10.24885 -10.23790 -10.22736 -10.21859 -10.21288 -10.20310 -10.19916 -10.19488 -10.19369 -10.18729 -10.18640 -10.18581 -10.18565 -10.18230 -10.18160 -10.17606 -10.17597 -10.17542 -10.17489 -10.16167 -9.47097 -7.23464 -7.22631 -7.22596 -1.10793 -1.08701 -1.08431 -1.03847 -1.01780 -0.89452 -0.87159 -0.85873 -0.83097 -0.81607 -0.79172 -0.76688 -0.75925 -0.75242 -0.74796 -0.73648 -0.70158 -0.69524 -0.68569 -0.63012 -0.62369 -0.62112 -0.61057 -0.59585 -0.58479 -0.56154 -0.55733 -0.54385 -0.53785 -0.51793 -0.50142 -0.49744 -0.49610 -0.48765 -0.48562 -0.48080 -0.47544 -0.47093 -0.46618 -0.46390 -0.45319 -0.44660 -0.44372 -0.43360 -0.43035 -0.42852 -0.42089 -0.41709 -0.40984 -0.40639 -0.40296 -0.39903 -0.39314 -0.37905 -0.37455 -0.37060 -0.36708 -0.36166 -0.36025 -0.35905 -0.34957 -0.34521 -0.34168 -0.32342 -0.31996 -0.31335 -0.29826 -0.29610 -0.28308 -0.27050 -0.26743 -0.26078 -0.24264 -0.23537 -0.22409 -0.04868 -0.04365 -0.02929 -0.02627 -0.02092 0.00110 0.00589 0.00847 0.01423 0.01619 0.02025 0.02485 0.02743 0.03287 0.03340 0.03803 0.04121 0.04261 0.04474 0.05038 0.05313 0.05685 0.05963 0.06064 0.06562 0.06659 0.06775 0.07296 0.07386 0.07853 0.07975 0.08558 0.08706 0.09208 0.09315 0.09508 0.09644 0.09860 0.10159 0.10483 0.10702 0.11050 0.11686 0.11856 0.12085 0.12528 0.12544 0.12871 0.13179 0.13220 0.13536 0.13854 0.14015 0.14272 0.14518 0.14787 0.14952 0.15472 0.15616 0.15874 0.16025 0.16148 0.16273 0.16454 0.16623 0.17078 0.17391 0.17853 0.17933 0.17982 0.18210 0.18624 0.18979 0.19213 0.19279 0.19757 0.19805 0.19895 0.20150 0.20340 0.20503 0.20759 0.20946 0.21052 0.21108 0.21480 0.21656 0.21724 0.21946 0.22246 0.22475 0.22603 0.22730 0.22885 0.23359 0.23541 0.23717 0.23909 0.24170 0.24239 0.24635 0.24683 0.25281 0.25320 0.25498 0.25728 0.25928 0.26085 0.26239 0.26440 0.26688 0.26988 0.27202 0.27658 0.27803 0.27953 0.28275 0.28652 0.29050 0.29135 0.29203 0.29439 0.29548 0.29978 0.30284 0.30538 0.30588 0.31200 0.31324 0.31570 0.31949 0.32060 0.32129 0.32511 0.33115 0.33224 0.33536 0.33881 0.34006 0.34326 0.34549 0.34843 0.35135 0.35410 0.35605 0.35698 0.36266 0.36695 0.36869 0.37037 0.37390 0.37471 0.38049 0.38211 0.38623 0.38815 0.39116 0.39700 0.39724 0.40295 0.40378 0.40625 0.40829 0.40994 0.41185 0.41727 0.41932 0.42307 0.42838 0.42947 0.43390 0.43550 0.43637 0.44062 0.44848 0.45209 0.45295 0.45535 0.45934 0.46220 0.46347 0.46800 0.47162 0.47564 0.47687 0.47908 0.47996 0.48550 0.48734 0.48944 0.49531 0.49646 0.50167 0.50462 0.50659 0.50750 0.51339 0.51410 0.51818 0.52211 0.52288 0.52937 0.53066 0.53185 0.53601 0.53934 0.54161 0.54746 0.55013 0.55309 0.55634 0.55929 0.56458 0.56959 0.57075 0.57451 0.57870 0.57933 0.58396 0.58623 0.58759 0.59106 0.59254 0.59386 0.59778 0.60058 0.60171 0.60255 0.60518 0.61259 0.61540 0.61736 0.62003 0.62193 0.62298 0.62654 0.63111 0.63426 0.63619 0.63787 0.64105 0.64743 0.64958 0.65142 0.65430 0.66068 0.66317 0.66367 0.67081 0.67249 0.67740 0.68189 0.68233 0.68484 0.68916 0.69080 0.69443 0.69828 0.70221 0.70536 0.71190 0.71447 0.71717 0.72030 0.72316 0.72672 0.72739 0.73245 0.73453 0.74013 0.74477 0.74607 0.74859 0.75175 0.75520 0.75903 0.76060 0.76831 0.76993 0.77514 0.77886 0.78075 0.78195 0.78671 0.79394 0.79697 0.80353 0.80610 0.80836 0.81104 0.81827 0.82065 0.82352 0.82635 0.82922 0.83664 0.83930 0.84437 0.85275 0.85353 0.85459 0.86058 0.86217 0.86559 0.87049 0.87758 0.88133 0.88656 0.89435 0.89663 0.90302 0.90351 0.90824 0.91295 0.91876 0.92167 0.92217 0.93118 0.93492 0.93636 0.94016 0.94261 0.94709 0.95397 0.95619 0.96056 0.96855 0.97640 0.98245 0.98494 0.98707 0.98925 0.99542 0.99821 1.00642 1.00712 1.01452 1.02380 1.02682 1.02926 1.03730 1.04141 1.04240 1.04427 1.04922 1.05426 1.05651 1.06234 1.06635 1.07324 1.07673 1.07869 1.08653 1.09029 1.09454 1.09666 1.10148 1.10691 1.10854 1.11405 1.11578 1.11941 1.12140 1.12567 1.12797 1.13390 1.13442 1.14396 1.14832 1.14992 1.15114 1.15389 1.16239 1.16623 1.16753 1.16911 1.17361 1.17535 1.17936 1.18119 1.18774 1.19228 1.19385 1.19904 1.20211 1.20585 1.20903 1.21213 1.21626 1.21715 1.21907 1.22180 1.22866 1.23191 1.23376 1.23948 1.24062 1.24418 1.24766 1.25092 1.25342 1.25571 1.26281 1.26383 1.26759 1.27168 1.27396 1.27761 1.28096 1.28263 1.28839 1.29037 1.29306 1.29960 1.30213 1.30452 1.31000 1.31219 1.31845 1.31968 1.32304 1.32555 1.32994 1.33229 1.33616 1.34181 1.34275 1.34603 1.34796 1.35243 1.35360 1.35657 1.36197 1.36772 1.37180 1.37923 1.37975 1.38219 1.38649 1.38843 1.39364 1.39701 1.39995 1.40362 1.40571 1.40985 1.41194 1.41727 1.42240 1.42572 1.43485 1.43660 1.44077 1.44655 1.44802 1.45495 1.45661 1.46018 1.46165 1.46619 1.46964 1.47600 1.47978 1.48433 1.48962 1.49175 1.49557 1.50544 1.50733 1.51089 1.51933 1.52488 1.53042 1.53258 1.53853 1.54831 1.54971 1.55329 1.55816 1.56251 1.56561 1.57399 1.58088 1.58272 1.59463 1.59584 1.60633 1.61174 1.61421 1.61961 1.62594 1.63329 1.63508 1.64584 1.65153 1.65512 1.66123 1.66238 1.66495 1.67344 1.67688 1.68242 1.68975 1.69605 1.69755 1.70823 1.71843 1.72404 1.72667 1.73616 1.73828 1.74702 1.75143 1.76373 1.77038 1.77623 1.78232 1.79475 1.80500 1.81452 1.82090 1.82763 1.84114 1.84411 1.84722 1.85067 1.85574 1.86722 1.87725 1.87895 1.89203 1.89486 1.90577 1.91250 1.91802 1.92776 1.93675 1.94300 1.94596 1.95183 1.95354 1.96424 1.97273 1.98168 1.98313 1.98846 1.99800 2.00397 2.00620 2.00957 2.01614 2.02105 2.02572 2.02802 2.03265 2.04018 2.04331 2.04745 2.05269 2.05913 2.06582 2.07340 2.07612 2.08161 2.08644 2.09103 2.09596 2.10244 2.10505 2.12004 2.12139 2.12906 2.13028 2.13818 2.14758 2.14835 2.15667 2.16341 2.16920 2.17128 2.18088 2.18816 2.19597 2.20164 2.21139 2.21688 2.22375 2.23198 2.23789 2.24539 2.25684 2.26348 2.26627 2.27214 2.27914 2.28343 2.29352 2.29583 2.31068 2.31376 2.32157 2.33493 2.34963 2.35641 2.36260 2.37715 2.39064 2.40028 2.40433 2.41112 2.42100 2.42675 2.43493 2.44146 2.45999 2.46791 2.47918 2.48762 2.50235 2.52012 2.52469 2.52789 2.54302 2.54853 2.56139 2.56584 2.56990 2.57739 2.58742 2.58964 2.59697 2.61899 2.63298 2.63628 2.64796 2.65927 2.66460 2.68058 2.68276 2.70411 2.71261 2.73301 2.74573 2.75005 2.75642 2.76530 2.76834 2.77822 2.78061 2.78840 2.79209 2.80280 2.80625 2.81475 2.81743 2.82159 2.83063 2.83545 2.84357 2.84554 2.85114 2.85409 2.85917 2.86724 2.86881 2.87639 2.88392 2.89216 2.89568 2.89619 2.90031 2.90255 2.91205 2.91239 2.91975 2.92309 2.92904 2.93045 2.93355 2.94121 2.95155 2.95453 2.95705 2.96560 2.96710 2.96999 2.97631 2.98730 2.98922 2.99505 2.99937 3.00420 3.00913 3.01883 3.02583 3.02810 3.04511 3.05141 3.06123 3.06740 3.07211 3.07560 3.08308 3.09372 3.09806 3.10280 3.10742 3.11489 3.11885 3.13136 3.13663 3.13808 3.14188 3.14745 3.16087 3.16840 3.16913 3.18066 3.18531 3.19340 3.19824 3.20521 3.20969 3.21743 3.22461 3.23354 3.24442 3.25042 3.25234 3.25637 3.25988 3.26338 3.27297 3.27998 3.28536 3.28862 3.29569 3.29626 3.30319 3.30643 3.31255 3.32052 3.32931 3.33153 3.33601 3.33843 3.34261 3.35197 3.35767 3.36225 3.36823 3.37963 3.38198 3.38944 3.39525 3.39758 3.40263 3.41279 3.42098 3.42812 3.43197 3.43560 3.43827 3.44467 3.45379 3.45903 3.46915 3.47446 3.47915 3.48880 3.49185 3.49720 3.50498 3.51398 3.51668 3.53011 3.53983 3.54910 3.55177 3.55557 3.55830 3.56590 3.57172 3.57764 3.59239 3.60254 3.60860 3.61400 3.61585 3.61936 3.62302 3.63167 3.63456 3.64659 3.65634 3.66079 3.66687 3.67130 3.67822 3.68087 3.69217 3.70081 3.70622 3.70917 3.71364 3.72322 3.73953 3.74090 3.75187 3.76492 3.77296 3.77692 3.78382 3.78697 3.79807 3.80355 3.80909 3.81095 3.81780 3.82779 3.83251 3.83538 3.83987 3.84907 3.85893 3.87184 3.87787 3.88194 3.88530 3.89406 3.91190 3.92386 3.93011 3.93645 3.95373 3.96886 3.98409 3.99337 3.99843 4.01099 4.02390 4.03083 4.04289 4.05413 4.06093 4.07856 4.09453 4.10587 4.11963 4.13702 4.15565 4.17404 4.18266 4.18760 4.19174 4.19531 4.20436 4.21977 4.22237 4.22599 4.23262 4.25054 4.25110 4.26125 4.26349 4.26648 4.27128 4.27275 4.28297 4.29531 4.29697 4.30663 4.30996 4.31676 4.32273 4.33370 4.33679 4.33869 4.34637 4.35015 4.35966 4.36403 4.36847 4.37312 4.38300 4.38579 4.39083 4.40011 4.40765 4.41012 4.41645 4.41845 4.42902 4.43226 4.44396 4.45582 4.46171 4.46819 4.46899 4.47963 4.48131 4.48193 4.48801 4.49967 4.50475 4.50921 4.51188 4.51743 4.52549 4.53266 4.54296 4.54518 4.55208 4.55553 4.56671 4.56799 4.58505 4.58940 4.59258 4.59620 4.60177 4.61598 4.61896 4.64543 4.64920 4.65795 4.66713 4.68128 4.69490 4.71664 4.72413 4.72715 4.73852 4.74857 4.75958 4.79202 4.81708 4.83799 4.84938 4.85909 4.87510 4.88822 4.90439 4.92312 4.92581 4.93165 4.95723 4.98928 5.00153 5.02364 5.03509 5.06225 5.08012 5.08148 5.12410 5.13092 5.15391 5.15679 5.16160 5.17626 5.17762 5.20396 5.21239 5.22539 5.23134 5.25332 5.26854 5.28252 5.30908 5.32142 5.34723 5.35835 5.37136 5.38502 5.41577 5.42811 5.45484 5.45900 5.47828 5.49796 5.50148 5.51174 5.55426 5.56320 5.57675 5.57799 5.61134 5.65285 5.65532 5.66487 5.67536 5.68464 5.72335 5.72557 5.75171 5.77910 5.79745 5.81251 5.81782 5.83644 5.84238 5.84542 5.86253 5.87640 5.87893 5.90188 5.90667 5.92100 5.94105 5.94579 5.95427 5.95663 5.96965 5.98132 5.99968 6.06002 6.06157 6.08663 6.10934 6.15948 6.16321 6.19550 6.21224 6.22505 6.29575 6.33155 6.40098 6.40517 6.44046 6.47194 6.53472 6.55797 6.61374 6.63419 6.76858 6.85895 6.98512 7.03530 7.06991 7.09458 7.11094 7.12729 7.14528 7.16462 7.18109 7.18745 7.19146 7.21378 7.21744 7.23588 7.25447 7.26171 7.27936 7.28857 7.29180 7.29721 7.31026 7.31442 7.32261 7.32768 7.33742 7.34206 7.35700 7.37393 7.37615 7.38605 7.39393 7.40836 7.41513 7.42393 7.43138 7.43969 7.44636 7.45272 7.45501 7.46724 7.47833 7.48579 7.49437 7.50903 7.53822 7.55096 7.55884 7.57767 7.59518 7.60911 7.61962 7.62837 7.64059 7.65906 7.66407 7.66709 7.69280 7.71656 7.73362 7.74426 7.75366 7.78389 7.79913 7.84077 7.85606 7.85955 7.88059 7.88635 7.89390 7.90539 7.94737 7.95114 7.95450 7.96602 7.97048 7.97531 7.98264 7.99118 7.99965 8.00391 8.01816 8.02178 8.04777 8.05370 8.06958 8.10888 8.12333 8.14459 8.17525 8.19447 8.23464 8.25580 8.27834 8.28428 8.29744 8.33442 8.34269 8.35137 8.37539 8.39851 8.42279 8.44825 8.47186 8.47747 8.49960 8.54295 8.63644 8.65886 8.70405 8.83466 8.95374 9.37803 9.39769 10.02907 10.22470 10.51210 10.54652 10.61782 10.80171 10.83221 10.99918 11.10760 11.48368 12.23340 14.41183 14.43433 14.47927 14.48953 14.50091 14.50639 14.51520 14.52817 14.53504 14.56673 14.65975 14.69099 14.79630 14.94217 14.97060 14.98231 15.07937 15.09826 15.11828 15.24629 24.03563 24.05506 24.29492 24.33736 24.41227 24.43889 24.53037 24.66332 24.94976 24.96918 24.98391 24.98638 25.14231 25.26602 25.35009 25.38867 25.40876 25.41426 25.51224 25.66744 25.78470 25.79284 26.03850 27.10864 28.13231 36.16628 36.24281 50.24763 50.26389 50.32343 50.49410 216.04147 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 50 Cl O O O O N N C C C 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 -0.376451 -0.792321 -0.410949 -0.538499 -0.838532 -0.519311 -0.787333 0.681016 -0.301410 0.831757 0.827430 0.779981 -0.421816 -0.383847 0.769995 -0.450507 -0.013140 -0.449376 -0.230842 -0.303591 -0.060230 -0.605192 -0.702105 -0.735980 0.516870 0.078994 1.078806 -0.268431 -0.127535 0.176332 0.183730 0.185796 0.144153 0.156254 0.158546 0.155739 0.200060 0.171495 0.156673 0.180283 0.173656 0.165788 0.165187 0.210314 0.310016 0.173830 0.178491 0.167810 0.176071 0.162327 -0.00000 -8.3682 1.6427 -1.8291 8.7218 -182.3604 -156.1894 -164.3523 -7.8609 7.1640 -18.2208 -14.7264 11.4446 3.2818 -7.8609 7.1640 -18.2208 -208.8807 50.9075 29.7462 -86.1639 -30.5508 -8.5928 -37.5311 34.4449 -45.7478 17.4323 -12724.1519 -2950.8472 -1769.8990 -90.8940 156.8585 -174.4171 -181.8769 46.3170 -68.3156 -2270.9247 -2174.3129 -824.4549 -197.8872 119.7978 -55.8141 (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A) (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(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-HAMILTON20 APULGAR 2024-10-09T00:00:00.000 0 Single Point pyraoxystrobin CONF30 water 0 1 Version=EM64L-G16RevC.01 State=1-A HF=-1722.0789294 RMSD=3.605e-09 Dipole=-2.4249526,2.4167541,-0.2316884 Quadrupole=-10.9941619,18.7113495,-7.7171876,7.8333335,1.0062853,4.1842905 PG=C01 [X(C22H21Cl1N2O4)] 0 5.9702914093 -2.8767943704 1.3412214456 0 -1.495555855 1.3688473 -2.612173636 0 -0.9130761421 -0.8421687848 1.4050030458 0 -1.7439527397 3.7725743605 1.2277327887 0 0.5809355313 0.5510427516 2.3491598674 0 -0.8832250712 -0.893736197 -2.4205528523 0 0.123920427 -1.6780720664 -1.9673317302 0 -2.9831664572 1.538711812 -0.6769836879 0 -2.0024695806 2.2627927664 -1.5637307988 0 -0.6352833515 0.4188290269 -2.1775994066 0 -2.6797011693 1.1327659036 0.6355890259 0 1.0064716308 -0.8370472868 -1.4039832859 0 0.5733231512 0.5037377161 -1.5127565569 0 -4.2313013038 1.2123110257 -1.2249442447 0 2.2311945679 -1.3346163581 -0.7628022288 0 -3.6435477182 0.4153820499 1.3616941957 0 -1.3806907836 1.4510698253 1.2938628371 0 -5.1740416331 0.4944720591 -0.4989823997 0 -2.0302259842 -1.4647763905 -3.1073250372 0 -4.8762149794 0.0946825189 0.8053016197 0 2.6202755292 -2.6777794295 -0.8808867907 0 3.0245442066 -0.4772329827 0.0138279488 0 3.760151223 -3.1551472031 -0.2429704905 0 4.1693153946 -0.9394128463 0.6562606585 0 -0.4695758379 0.3830305857 1.737695315 0 -0.9903377732 2.7179263951 1.5565835893 0 4.5226638139 -2.2774570614 0.5219090599 0 -0.123912274 -1.9675493956 1.8556601354 0 -1.1747040407 5.0718209038 1.516635502 0 -2.4933217206 3.0621827754 -2.1164957193 0 -1.1554889979 2.676649335 -1.0218553175 0 1.0508126547 1.4008386094 -1.1578367421 0 -4.4551901976 1.5264018578 -2.2390098251 0 -3.4125842382 0.1062962651 2.3746310209 0 -6.1337467135 0.2528956209 -0.9413479476 0 -1.771302354 -1.7320631005 -4.1340236717 0 -2.832713292 -0.7302029782 -3.1131623059 0 -2.358106467 -2.3538151747 -2.5698982794 0 -5.603429142 -0.4601707049 1.3873446364 0 2.0258832188 -3.3599257708 -1.475152719 0 2.7433238937 0.5609612875 0.1388598771 0 4.0495981643 -4.1939010353 -0.3405423898 0 4.7699366966 -0.2689110409 1.2576843615 0 -0.0433380544 2.9245301499 2.0466554481 0 0.8984444829 -1.893279049 1.4888561867 0 -0.1287277328 -2.0125295795 2.9459810326 0 -0.61283379 -2.8446724165 1.438214157 0 -0.9739225514 5.1647001852 2.5860830295 0 -0.2572017012 5.2130436161 0.9417213045 0 -1.9228786029 5.8002524079 1.2119872395