Gaussian 16 GINC-DEPAZ14 APULGAR Optimization Cyfluthrin_beta CONF27 octanol EM64L-G16RevC.01 2-Oct-2024 Gaussian 16 3-Jul-2019 EM64L-G16RevC.01 47 47 112 112 762 (5D, 7F) 6-311+G(d,p) 135 135 C1[X(C22H18Cl2FNO3)] C1[X(C22H18Cl2FNO3)] RB3LYP 6-311+G(d,p) FOpt #P B3LYP 6-311+G(d,p) EmpiricalDispersion=gd3 scrf=(smd,Solvent=n-Octanol) opt freq 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 0 416.1447031999997 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;2;3;7;4;5;6;30;31;32;33;34;35;36;37;38;39;40;41;42;43;44;45;46;47/rA:47nCl0Cl0F0O0O0O0N0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:-2.8954,-.5291,1.9;-4.8634,-1.0558,-.2132;4.2775,-2.975,-1.0574;.9299,2.1836,.2648;1.2682,2.402,-1.9602;1.9808,-2.83,.3138;2.7976,2.6108,2.9812;-1.8949,3.269,-.3467;-1.8889,1.7822,-.0488;-.9733,2.342,-1.1459;-1.3277,4.2018,.7083;-3.0484,3.8821,-1.1225;-3.0027,.897,-.4292;.4992,2.3184,-1.0209;-3.5009,-.0906,.3198;2.3617,2.1048,.4362;2.8983,.738,.0474;2.5886,2.394,1.8614;2.1652,-.4027,.3839;4.1056,.6294,-.6457;2.6258,-1.6583,-.003;4.5865,-.6291,-1.0078;3.8395,-1.7538,-.6914;.613,-2.949,.0915;-.0522,-2.2713,-.9331;-.06,-3.8491,.9179;-1.416,-2.5046,-1.1202;-1.4199,-4.0784,.7107;-2.1033,-3.4076,-.3062;-1.3717,1.5128,.8658;-1.2756,2.17,-2.1738;-.9116,5.1005,.2384;-2.1312,4.5184,1.3824;-.5455,3.7358,1.3085;-3.8923,4.0766,-.451;-2.7373,4.8382,-1.5575;-3.4024,3.2465,-1.9376;-3.4743,1.058,-1.3935;2.8505,2.8845,-.1567;1.2253,-.3217,.9186;4.6656,1.5202,-.9112;5.5171,-.7495,-1.5514;.483,-1.5778,-1.5722;.4899,-4.3569,1.7037;-1.9397,-1.9771,-1.9115;-1.9463,-4.7789,1.3524;-3.1632,-3.5805,-.4585; g16 /usr/local/gaussian/gaussian16/g16/l1.exe "/temporal/apulgar/opt-b3lyp-pople.com-6497866/Gau-617087.inp" -scrdir="/temporal/apulgar/opt-b3lyp-pople.com-6497866/" oldchk=/home/proyectos/herbicida/NuevosCalculos/Insecticides_unique/G3_insectic chk=/home/proyectos/herbicida/NuevosCalculos/Insecticides_unique/G3_insecticide #P B3LYP 6-311+G(d,p) EmpiricalDispersion=gd3 scrf=(smd,Solvent=n-Octa 1/18=20,19=15,26=3,29=2,38=1/1,3 2/9=110,12=2,40=1/2 3/5=4,6=6,7=111,11=2,14=-4,25=1,30=1,70=32201,71=1,72=25,74=-5,116=-2,124=31/1,2,3 4/5=1/1 5/5=2,38=6,53=25/2 6/7=2,8=2,9=2,10=2,28=1/1 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=2,14=-2,25=1,30=1,70=32205,71=1,72=25,74=-5,124=31/1,2,3 4/5=5,16=3,69=1/1 5/5=2,38=5,53=25/2 7//1,2,3,16 1/18=20,19=15,26=3/3(-5) 2/9=110/2 6/7=2,8=2,9=2,10=2,19=2,28=1/1 99/9=1/99 Optimization Cyfluthrin_beta CONF27 octanol Redundant internal coordinates found in file. (old form). 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 35 35 19 16 16 16 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 34.9688527 34.9688527 18.9984033 15.9949146 15.9949146 15.9949146 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 3 3 1 0 0 0 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 14.2400000 14.2400000 6.7500000 5.6000000 5.6000000 5.6000000 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 (Enter /usr/local/gaussian/gaussian16/g16/l101.exe) Berny optimization. R1 R2 R3 R4 R5 R6 R7 R8 R9 R10 R11 R12 R13 R14 R15 R16 R17 R18 R19 R20 R21 R22 R23 R24 R25 R26 R27 R28 R29 R30 R31 R32 R33 R34 R35 R36 R37 R38 R39 R40 R41 R42 R43 R44 R45 R46 R47 R48 R49 1 2 3 4 4 5 6 6 7 8 8 8 8 9 9 9 10 10 11 11 11 12 12 12 13 13 16 16 16 17 17 19 19 20 20 21 22 22 24 24 25 25 26 26 27 27 28 28 29 15 15 23 14 16 14 21 24 18 9 10 11 12 10 13 30 14 31 32 33 34 35 36 37 15 38 17 18 39 19 20 21 40 22 41 23 23 42 25 26 27 43 28 44 29 45 29 46 47 1.7481 1.7527 1.348 1.3627 1.4442 1.2168 1.3745 1.3909 1.1595 1.5164 1.5321 1.5182 1.5193 1.5348 1.4727 1.0846 1.478 1.0851 1.0961 1.0956 1.0905 1.0958 1.0954 1.0926 1.3359 1.0855 1.5189 1.4719 1.0947 1.3971 1.3963 1.3922 1.0844 1.395 1.0852 1.3986 1.3868 1.0845 1.397 1.395 1.3962 1.0844 1.3946 1.0852 1.3965 1.0857 1.3969 1.0861 1.0846 estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|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 14 21 9 9 10 10 11 8 8 10 10 13 8 8 9 9 14 8 8 8 32 32 33 8 8 8 35 35 36 9 9 15 4 4 5 1 1 2 4 4 4 17 17 18 16 16 19 17 17 21 17 17 22 6 6 19 20 20 23 3 3 21 6 6 25 24 24 27 24 24 28 25 25 29 26 26 29 27 27 28 4 6 8 8 8 8 8 9 9 9 9 9 10 10 10 10 10 11 11 11 11 11 11 12 12 12 12 12 12 13 13 13 14 14 14 15 15 15 16 16 16 16 16 16 17 17 17 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 29 29 29 16 24 11 12 11 12 12 13 30 13 30 30 14 31 14 31 31 32 33 34 33 34 34 35 36 37 36 37 37 15 38 38 5 10 10 2 13 13 17 18 39 18 39 39 19 20 20 21 40 40 22 41 41 19 23 23 23 42 42 21 22 22 25 26 26 27 43 43 28 44 44 29 45 45 29 46 46 28 47 47 115.5171 119.8404 117.6725 119.9354 120.6289 115.7541 112.9884 122.383 114.2736 119.0634 114.1364 115.414 124.3919 114.9885 121.8761 116.9447 110.8004 110.3451 109.3337 112.8235 107.7767 108.3045 108.1077 110.0818 109.8384 113.0879 107.8872 108.1136 107.6673 125.5596 117.9651 116.4717 122.3678 113.3473 124.2837 113.9565 124.2706 121.7673 111.6539 104.893 109.8464 111.7306 110.1545 108.3978 119.1858 120.1679 120.6449 119.7243 120.8384 119.4135 119.8079 120.2504 119.9394 123.333 117.5461 119.041 119.1278 121.7428 119.1122 118.5206 119.8542 121.6239 122.9565 115.7807 121.1852 118.835 120.4948 120.6701 119.2427 119.109 121.6477 120.7121 119.1841 120.1035 120.416 119.4024 120.1801 119.606 120.1416 120.2506 estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2 A81 A82 7 7 18 18 16 16 1 1 -1 -2 181.0929 estimate D2E/DX2|estimate D2E/DX2 181.2025 D1 D2 D3 D4 D5 D6 D7 D8 D9 D10 D11 D12 D13 D14 D15 D16 D17 D18 D19 D20 D21 D22 D23 D24 D25 D26 D27 D28 D29 D30 D31 D32 D33 D34 D35 D36 D37 D38 D39 D40 D41 D42 D43 D44 D45 D46 D47 D48 D49 D50 D51 D52 D53 D54 D55 D56 D57 D58 D59 D60 D61 D62 D63 D64 D65 D66 D67 D68 D69 D70 D71 D72 D73 D74 D75 D76 D77 D78 D79 D80 D81 D82 D83 D84 D85 D86 D87 D88 D89 D90 D91 D92 D93 D94 D95 D96 D97 D98 D99 D100 D101 D102 D103 D104 D105 D106 D107 D108 D109 16 16 14 14 14 24 24 21 21 11 11 12 12 11 11 12 12 9 9 9 10 10 10 12 12 12 9 9 9 10 10 10 11 11 11 13 13 30 30 8 8 10 10 30 30 8 8 9 9 31 31 9 9 38 38 4 4 18 18 39 39 16 16 20 20 16 16 19 19 17 17 40 40 17 17 41 41 6 6 19 19 20 20 42 42 6 6 26 26 6 6 25 25 24 24 43 43 24 24 44 44 25 25 45 45 26 26 46 46 4 4 4 4 4 6 6 6 6 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 9 9 9 9 9 9 9 9 9 9 10 10 10 10 10 10 13 13 13 13 16 16 16 16 16 16 17 17 17 17 17 17 17 17 19 19 19 19 20 20 20 20 21 21 21 21 22 22 22 22 24 24 24 24 24 24 24 24 25 25 25 25 26 26 26 26 27 27 27 27 28 28 28 28 14 14 16 16 16 21 21 24 24 9 9 9 9 10 10 10 10 11 11 11 11 11 11 11 11 11 12 12 12 12 12 12 12 12 12 10 10 10 10 13 13 13 13 13 13 14 14 14 14 14 14 15 15 15 15 17 17 17 17 17 17 19 19 19 19 20 20 20 20 21 21 21 21 22 22 22 22 23 23 23 23 23 23 23 23 25 25 25 25 26 26 26 26 27 27 27 27 28 28 28 28 29 29 29 29 29 29 29 29 5 10 17 18 39 19 23 25 26 13 30 13 30 14 31 14 31 32 33 34 32 33 34 32 33 34 35 36 37 35 36 37 35 36 37 14 31 14 31 15 38 15 38 15 38 4 5 4 5 4 5 1 2 1 2 19 20 19 20 19 20 21 40 21 40 22 41 22 41 6 23 6 23 23 42 23 42 3 22 3 22 3 21 3 21 27 43 27 43 28 44 28 44 29 45 29 45 29 46 29 46 28 47 28 47 27 47 27 47 -1.8374 177.7787 -76.2204 162.5957 46.2877 48.817 -134.4689 30.0778 -153.0946 141.1763 -6.3322 -3.0029 -150.5113 -3.1825 -145.7252 138.9618 -3.5809 150.8379 -90.791 29.5412 80.5089 -161.12 -40.7878 -62.5927 55.7784 176.1107 81.8974 -159.4462 -39.1464 151.165 -90.1786 30.1212 -63.8375 54.8189 175.1187 -133.3164 8.423 8.5933 150.3326 -139.4605 39.8232 149.1531 -31.5632 7.7095 -173.0068 52.0405 -128.3518 -20.2862 159.3215 -164.0933 15.5143 -0.9051 178.1786 179.8016 -1.1147 -39.3968 140.1708 77.7275 -102.7049 -161.7283 17.8393 178.0281 -0.1877 -1.5373 -179.7531 -179.5271 -0.083 0.0341 179.4782 178.4737 1.8061 -3.2849 -179.9525 1.1617 179.6363 -178.2842 0.1904 2.9443 -177.4705 179.8043 -0.6105 178.6993 -0.8805 0.1841 -179.3957 176.8678 -3.0234 0.2071 -179.6841 -176.5993 3.1295 0.2892 -179.982 -0.5393 179.6884 179.3518 -0.4205 -0.4614 179.9823 179.8169 0.2606 0.3718 179.8867 -179.858 -0.3431 0.1361 -179.3783 179.6889 0.1746 estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|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 791 A 762 A 1222 791 3097.7542833530 47 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= 762 RedAO= T EigKep= 1.27D-06 NBF= 762 NBsUse= 760 1.00D-06 EigRej= 9.96D-07 NBFU= 760 Berny optimization. local minimum Step number 34 out of a maximum of 250 All quantities printed in internal units (Hartrees-Bohrs-Radians) 0.00039 0.00146 0.00281 0.00517 0.00534 0.00976 0.01459 0.01685 0.01837 0.01945 0.02044 0.02109 0.02117 0.02122 0.02130 0.02139 0.02143 0.02147 0.02152 0.02156 0.02166 0.02172 0.02185 0.02215 0.02241 0.02255 0.02361 0.02449 0.02778 0.02878 0.03039 0.03394 0.04093 0.04281 0.04950 0.05455 0.05478 0.05827 0.05855 0.06635 0.07179 0.07218 0.07930 0.08591 0.09395 0.09852 0.10633 0.12698 0.13474 0.15642 0.15905 0.15959 0.15984 0.15994 0.15995 0.16000 0.16000 0.16003 0.16009 0.16018 0.16029 0.16088 0.16126 0.16160 0.16652 0.18409 0.19022 0.21059 0.21611 0.21996 0.22031 0.22354 0.22581 0.23356 0.23519 0.24086 0.24367 0.24747 0.24994 0.25118 0.25254 0.25378 0.26650 0.27056 0.29489 0.29825 0.30089 0.30326 0.30605 0.30794 0.32039 0.32726 0.34110 0.34158 0.34189 0.34198 0.34347 0.34572 0.34881 0.34963 0.35266 0.35327 0.35353 0.35359 0.35381 0.35429 0.35447 0.35462 0.35484 0.35578 0.36125 0.36514 0.36711 0.38475 0.41405 0.42012 0.42262 0.42466 0.43208 0.45454 0.45840 0.46136 0.46231 0.46459 0.46467 0.46906 0.47523 0.48404 0.52084 0.52783 0.54880 0.61430 0.96157 1.26627 5.05506 -4.49866452e-09 R1 R2 R3 R4 R5 R6 R7 R8 R9 R10 R11 R12 R13 R14 R15 R16 R17 R18 R19 R20 R21 R22 R23 R24 R25 R26 R27 R28 R29 R30 R31 R32 R33 R34 R35 R36 R37 R38 R39 R40 R41 R42 R43 R44 R45 R46 R47 R48 R49 A1 A2 A3 A4 A5 A6 A7 A8 A9 A10 A11 A12 A13 A14 A15 A16 A17 A18 A19 A20 A21 A22 A23 A24 A25 A26 A27 A28 A29 A30 A31 A32 A33 A34 A35 A36 A37 A38 A39 A40 A41 A42 A43 A44 A45 A46 A47 A48 A49 A50 A51 A52 A53 A54 A55 A56 A57 A58 A59 A60 A61 A62 A63 A64 A65 A66 A67 A68 A69 A70 A71 A72 A73 A74 A75 A76 A77 A78 A79 A80 A81 A82 D1 D2 D3 D4 D5 D6 D7 D8 D9 D10 D11 D12 D13 D14 D15 D16 D17 D18 D19 D20 D21 D22 D23 D24 D25 D26 D27 D28 D29 D30 D31 D32 D33 D34 D35 D36 D37 D38 D39 D40 D41 D42 D43 D44 D45 D46 D47 D48 D49 D50 D51 D52 D53 D54 D55 D56 D57 D58 D59 D60 D61 D62 D63 D64 D65 D66 D67 D68 D69 D70 D71 D72 D73 D74 D75 D76 D77 D78 D79 D80 D81 D82 D83 D84 D85 D86 D87 D88 D89 D90 D91 D92 D93 D94 D95 D96 D97 D98 D99 D100 D101 D102 D103 D104 D105 D106 D107 D108 D109 3.30282 3.31210 2.55939 2.56690 2.73018 2.29371 2.59559 2.63031 2.17658 2.86048 2.89662 2.86629 2.86804 2.90081 2.77919 2.04487 2.78684 2.04658 2.06902 2.06810 2.05813 2.06867 2.06766 2.06175 2.51686 2.04842 2.86951 2.77497 2.06495 2.63443 2.63448 2.62649 2.04702 2.63185 2.04750 2.63522 2.61406 2.04671 2.63368 2.63185 2.63631 2.04620 2.63148 2.04801 2.63363 2.04874 2.63633 2.04921 2.04635 2.03242 2.09414 2.05221 2.09703 2.10429 2.01717 1.97284 2.14136 1.98986 2.07938 1.98690 2.01531 2.17120 2.00173 2.12786 2.03948 1.93835 1.92571 1.90624 1.96891 1.88230 1.89198 1.88637 1.91967 1.91533 1.97386 1.88397 1.88825 1.88023 2.18965 2.06133 2.03216 2.13543 1.97900 2.16871 1.98540 2.17072 2.12694 1.94781 1.83376 1.91925 1.95173 1.92288 1.88569 2.08355 2.09526 2.10436 2.09198 2.11249 2.07847 2.09182 2.09963 2.09168 2.14403 2.06403 2.07360 2.07599 2.12384 2.08314 2.07018 2.08477 2.12822 2.14621 2.02023 2.11550 2.07413 2.10594 2.10312 2.08083 2.08138 2.12097 2.10685 2.07943 2.09690 2.10203 2.08381 2.09732 2.08698 2.09793 2.09820 3.16332 3.16220 -0.04852 3.08280 -1.36047 2.80426 0.77894 0.94883 -2.25284 0.45618 -2.73856 2.46409 -0.11371 -0.05772 -2.63552 -0.05621 -2.54457 2.41967 -0.06870 2.61902 -1.59800 0.50008 1.39145 -2.82558 -0.72749 -1.09991 0.96625 3.06434 1.43426 -2.77882 -0.67895 2.64409 -1.56898 0.53089 -1.11362 0.95649 3.05636 -2.32140 0.15999 0.15148 2.63287 -2.49040 0.64007 2.54239 -0.61032 0.07993 -3.07278 0.92391 -2.22819 -0.33576 2.79532 -2.85086 0.28022 -0.01680 3.10653 3.13574 -0.02411 -0.72124 2.41333 1.32726 -1.82136 -2.85857 0.27600 3.11195 -0.00612 -0.02258 -3.14065 -3.13501 -0.00418 -0.00053 3.13031 3.10915 0.02794 -0.05551 -3.13672 0.01754 3.13648 -3.11334 0.00559 0.05414 -3.09488 3.13814 -0.01088 3.12217 -0.01193 0.00270 -3.13140 3.08888 -0.04925 0.00326 -3.13487 -3.08380 0.05249 0.00566 -3.14123 -0.01056 3.13442 3.12758 -0.01064 -0.00743 -3.14083 3.13958 0.00618 0.00885 3.13766 -3.13616 -0.00735 0.00028 -3.12853 3.13362 0.00481 -0.00000 -0.00000 0.00001 0.00000 -0.00001 0.00001 -0.00000 0.00001 0.00002 0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00001 0.00000 0.00000 0.00000 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 -0.00000 0.00000 0.00000 0.00000 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 -0.00000 -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 0.00002 -0.00000 -0.00001 -0.00001 -0.00001 0.00000 0.00001 -0.00001 0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 0.00001 -0.00001 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00001 -0.00001 0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 0.00001 0.00001 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00001 -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 -0.00001 -0.00000 0.00000 0.00001 -0.00000 0.00001 -0.00000 0.00001 0.00002 0.00000 0.00000 -0.00000 0.00001 0.00001 -0.00000 0.00001 -0.00001 0.00000 0.00000 0.00000 0.00001 0.00000 0.00000 0.00000 0.00001 0.00000 0.00002 -0.00002 0.00001 -0.00000 0.00000 0.00001 0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00001 0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00002 0.00002 -0.00002 0.00001 -0.00002 0.00001 0.00002 0.00003 -0.00001 -0.00001 -0.00000 -0.00001 -0.00000 -0.00001 0.00003 -0.00001 -0.00000 0.00000 0.00001 -0.00001 0.00000 -0.00000 0.00000 -0.00000 0.00001 0.00000 -0.00000 -0.00000 -0.00000 0.00002 -0.00001 -0.00001 0.00001 0.00001 -0.00002 0.00002 0.00000 -0.00002 -0.00001 0.00001 0.00001 -0.00001 -0.00001 0.00000 -0.00001 0.00000 0.00001 -0.00000 -0.00000 0.00001 -0.00000 -0.00001 0.00001 0.00003 -0.00002 -0.00001 -0.00000 0.00001 -0.00001 -0.00001 0.00000 0.00001 0.00001 -0.00002 0.00000 -0.00000 -0.00001 0.00001 -0.00000 -0.00001 0.00001 0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00001 0.00000 -0.00002 -0.00001 -0.00006 -0.00002 0.00009 0.00009 0.00008 -0.00010 -0.00014 0.00002 -0.00001 0.00004 0.00002 0.00003 0.00000 -0.00005 -0.00003 -0.00005 -0.00002 0.00012 0.00013 0.00013 0.00013 0.00015 0.00015 0.00013 0.00014 0.00014 0.00003 0.00003 0.00003 0.00004 0.00004 0.00004 0.00003 0.00003 0.00004 0.00003 0.00005 -0.00000 0.00002 -0.00006 -0.00006 -0.00007 -0.00006 -0.00004 -0.00003 0.00014 0.00018 0.00013 0.00017 0.00012 0.00015 0.00004 0.00003 0.00003 0.00003 0.00008 0.00008 0.00008 0.00008 0.00007 0.00008 -0.00000 0.00001 -0.00001 0.00001 -0.00000 0.00002 0.00000 0.00002 -0.00003 0.00000 -0.00004 -0.00001 0.00000 -0.00001 -0.00001 -0.00003 0.00004 0.00003 0.00001 0.00000 -0.00001 -0.00001 0.00000 0.00000 -0.00002 -0.00001 0.00002 0.00003 0.00001 0.00000 -0.00003 -0.00003 0.00001 0.00001 -0.00000 -0.00000 0.00001 -0.00000 0.00001 0.00001 -0.00003 -0.00006 -0.00003 -0.00006 0.00002 0.00005 0.00003 0.00006 0.00000 -0.00002 0.00002 0.00000 -0.00005 0.00000 -0.00001 0.00001 -0.00001 -0.00001 0.00002 -0.00001 0.00000 0.00000 -0.00001 0.00000 -0.00003 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00002 -0.00001 -0.00000 -0.00002 0.00000 0.00001 -0.00000 -0.00001 0.00000 -0.00001 0.00000 -0.00000 -0.00001 0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 0.00002 0.00002 -0.00002 0.00003 -0.00003 0.00000 0.00000 -0.00001 0.00005 -0.00004 -0.00000 0.00001 -0.00002 -0.00002 -0.00001 0.00002 0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00001 0.00001 0.00000 -0.00001 -0.00000 0.00001 -0.00000 -0.00000 0.00001 0.00001 0.00002 -0.00000 -0.00001 -0.00002 0.00000 -0.00000 -0.00001 0.00001 0.00001 0.00000 -0.00001 -0.00001 0.00001 0.00001 0.00001 0.00001 -0.00002 0.00000 0.00000 -0.00001 -0.00000 -0.00001 0.00001 0.00000 -0.00001 0.00001 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00004 0.00002 0.00012 0.00008 -0.00021 -0.00022 -0.00023 -0.00009 -0.00011 0.00003 0.00004 -0.00009 -0.00006 -0.00009 -0.00006 0.00004 0.00001 0.00004 0.00001 0.00009 0.00009 0.00009 0.00007 0.00007 0.00007 0.00008 0.00008 0.00008 0.00009 0.00009 0.00010 0.00007 0.00007 0.00008 0.00008 0.00008 0.00009 0.00000 0.00001 0.00001 0.00001 0.00004 0.00001 -0.00000 -0.00003 0.00001 -0.00002 -0.00011 -0.00015 -0.00009 -0.00013 -0.00009 -0.00013 -0.00012 -0.00009 -0.00010 -0.00006 0.00015 0.00017 0.00017 0.00020 0.00016 0.00018 0.00002 -0.00000 -0.00000 -0.00003 -0.00002 -0.00001 0.00001 0.00002 -0.00003 -0.00001 -0.00000 0.00001 -0.00001 -0.00000 -0.00001 -0.00001 0.00003 0.00003 0.00001 0.00002 -0.00000 -0.00001 -0.00000 -0.00001 0.00001 0.00002 0.00000 0.00002 -0.00001 -0.00001 -0.00000 -0.00001 -0.00001 0.00001 -0.00002 -0.00000 0.00001 -0.00001 0.00002 -0.00001 0.00002 0.00004 -0.00000 0.00002 -0.00002 -0.00004 0.00001 -0.00001 -0.00001 -0.00002 0.00003 0.00001 -0.00005 0.00002 -0.00002 0.00002 0.00001 -0.00001 0.00002 -0.00001 0.00001 0.00001 -0.00001 0.00001 -0.00003 -0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 0.00001 0.00000 0.00003 -0.00002 0.00001 -0.00002 0.00001 0.00003 -0.00000 -0.00001 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 -0.00001 0.00004 -0.00000 -0.00001 0.00001 -0.00002 0.00002 0.00003 -0.00002 0.00004 -0.00004 -0.00001 0.00001 -0.00003 0.00001 -0.00002 0.00002 0.00000 0.00001 -0.00001 0.00001 -0.00000 0.00000 -0.00001 0.00001 0.00000 0.00000 -0.00000 0.00000 0.00001 0.00001 -0.00001 -0.00000 0.00001 -0.00001 0.00001 -0.00000 -0.00001 0.00000 0.00003 0.00001 -0.00001 -0.00003 0.00000 -0.00001 -0.00000 0.00002 0.00000 -0.00000 0.00000 -0.00001 -0.00000 0.00001 0.00003 -0.00001 -0.00003 -0.00000 0.00001 -0.00001 -0.00001 -0.00001 0.00002 0.00001 -0.00003 0.00001 -0.00001 -0.00001 0.00002 -0.00001 -0.00001 0.00001 0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00001 0.00001 0.00002 0.00000 0.00006 0.00006 -0.00012 -0.00013 -0.00015 -0.00020 -0.00025 0.00005 0.00002 -0.00005 -0.00004 -0.00006 -0.00006 -0.00001 -0.00002 -0.00000 -0.00001 0.00020 0.00022 0.00022 0.00020 0.00022 0.00021 0.00021 0.00022 0.00022 0.00012 0.00013 0.00013 0.00011 0.00011 0.00012 0.00012 0.00012 0.00013 0.00003 0.00006 0.00000 0.00003 -0.00003 -0.00005 -0.00007 -0.00009 -0.00003 -0.00005 0.00003 0.00003 0.00004 0.00004 0.00003 0.00002 -0.00009 -0.00006 -0.00007 -0.00003 0.00022 0.00025 0.00025 0.00028 0.00023 0.00026 0.00002 0.00001 -0.00001 -0.00002 -0.00002 0.00001 0.00001 0.00004 -0.00006 -0.00001 -0.00005 0.00000 -0.00000 -0.00001 -0.00003 -0.00004 0.00006 0.00007 0.00002 0.00002 -0.00001 -0.00001 -0.00000 -0.00000 -0.00001 0.00001 0.00002 0.00005 0.00000 -0.00001 -0.00003 -0.00004 -0.00000 0.00002 -0.00003 -0.00000 0.00002 -0.00001 0.00003 0.00000 -0.00001 -0.00002 -0.00004 -0.00004 0.00000 0.00001 0.00003 0.00004 3.30281 3.31209 2.55942 2.56690 2.73013 2.29373 2.59557 2.63033 2.17659 2.86047 2.89665 2.86628 2.86805 2.90082 2.77918 2.04488 2.78681 2.04658 2.06902 2.06810 2.05813 2.06867 2.06766 2.06175 2.51687 2.04842 2.86955 2.77494 2.06496 2.63442 2.63448 2.62651 2.04702 2.63184 2.04750 2.63521 2.61407 2.04671 2.63367 2.63186 2.63631 2.04620 2.63147 2.04801 2.63362 2.04874 2.63633 2.04921 2.04635 2.03241 2.09418 2.05221 2.09702 2.10429 2.01714 1.97286 2.14139 1.98984 2.07941 1.98686 2.01530 2.17121 2.00171 2.12787 2.03946 1.93837 1.92571 1.90625 1.96890 1.88230 1.89198 1.88637 1.91966 1.91534 1.97386 1.88397 1.88825 1.88023 2.18966 2.06133 2.03215 2.13543 1.97901 2.16870 1.98541 2.17071 2.12693 1.94781 1.83379 1.91926 1.95172 1.92285 1.88569 2.08354 2.09526 2.10437 2.09198 2.11249 2.07848 2.09181 2.09963 2.09170 2.14406 2.06402 2.07358 2.07599 2.12385 2.08313 2.07016 2.08476 2.12824 2.14622 2.02021 2.11551 2.07412 2.10593 2.10313 2.08082 2.08137 2.12098 2.10685 2.07943 2.09690 2.10203 2.08381 2.09732 2.08699 2.09792 2.09821 3.16334 3.16220 -0.04846 3.08285 -1.36059 2.80414 0.77878 0.94863 -2.25309 0.45624 -2.73854 2.46404 -0.11376 -0.05778 -2.63558 -0.05622 -2.54459 2.41967 -0.06870 2.61923 -1.59779 0.50030 1.39165 -2.82536 -0.72728 -1.09970 0.96648 3.06456 1.43438 -2.77869 -0.67882 2.64421 -1.56887 0.53101 -1.11350 0.95661 3.05649 -2.32137 0.16005 0.15148 2.63290 -2.49043 0.64002 2.54232 -0.61041 0.07990 -3.07284 0.92394 -2.22816 -0.33572 2.79536 -2.85084 0.28024 -0.01689 3.10647 3.13568 -0.02415 -0.72102 2.41358 1.32751 -1.82108 -2.85833 0.27626 3.11198 -0.00611 -0.02258 -3.14067 -3.13503 -0.00417 -0.00052 3.13035 3.10909 0.02793 -0.05555 -3.13671 0.01754 3.13646 -3.11337 0.00555 0.05420 -3.09482 3.13816 -0.01086 3.12216 -0.01195 0.00270 -3.13141 3.08887 -0.04923 0.00328 -3.13482 -3.08380 0.05248 0.00563 -3.14128 -0.01056 3.13444 3.12755 -0.01064 -0.00742 -3.14085 3.13961 0.00618 0.00883 3.13764 -3.13620 -0.00739 0.00029 -3.12851 3.13366 0.00485 |Maximum Force|RMS Force|Maximum Displacement|RMS Displacement| 0.000019 0.000004 0.000805 0.000155 0.000450 0.000300 0.001800 0.001200 YES YES YES YES -4.512339e-09 Optimization completed. -- Stationary point found. R1 R2 R3 R4 R5 R6 R7 R8 R9 R10 R11 R12 R13 R14 R15 R16 R17 R18 R19 R20 R21 R22 R23 R24 R25 R26 R27 R28 R29 R30 R31 R32 R33 R34 R35 R36 R37 R38 R39 R40 R41 R42 R43 R44 R45 R46 R47 R48 R49 1 2 3 4 4 5 6 6 7 8 8 8 8 9 9 9 10 10 11 11 11 12 12 12 13 13 16 16 16 17 17 19 19 20 20 21 22 22 24 24 25 25 26 26 27 27 28 28 29 15 15 23 14 16 14 21 24 18 9 10 11 12 10 13 30 14 31 32 33 34 35 36 37 15 38 17 18 39 19 20 21 40 22 41 23 23 42 25 26 27 43 28 44 29 45 29 46 47 1.7478 1.7527 1.3544 1.3583 1.4447 1.2138 1.3735 1.3919 1.1518 1.5137 1.5328 1.5168 1.5177 1.535 1.4707 1.0821 1.4747 1.083 1.0949 1.0944 1.0891 1.0947 1.0942 1.091 1.3319 1.084 1.5185 1.4684 1.0927 1.3941 1.3941 1.3899 1.0832 1.3927 1.0835 1.3945 1.3833 1.0831 1.3937 1.3927 1.3951 1.0828 1.3925 1.0838 1.3937 1.0841 1.3951 1.0844 1.0829 -DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-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 14 21 9 9 10 10 11 8 8 10 10 13 8 8 9 9 14 8 8 8 32 32 33 8 8 8 35 35 36 9 9 15 4 4 5 1 1 2 4 4 4 17 17 18 16 16 19 17 17 21 17 17 22 6 6 19 20 20 23 3 3 21 6 6 25 24 24 27 24 24 28 25 25 29 26 26 29 27 27 28 4 6 8 8 8 8 8 9 9 9 9 9 10 10 10 10 10 11 11 11 11 11 11 12 12 12 12 12 12 13 13 13 14 14 14 15 15 15 16 16 16 16 16 16 17 17 17 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 29 29 29 16 24 11 12 11 12 12 13 30 13 30 30 14 31 14 31 31 32 33 34 33 34 34 35 36 37 36 37 37 15 38 38 5 10 10 2 13 13 17 18 39 18 39 39 19 20 20 21 40 40 22 41 41 19 23 23 23 42 42 21 22 22 25 26 26 27 43 43 28 44 44 29 45 45 29 46 46 28 47 47 116.4491 119.9851 117.5831 120.1509 120.5667 115.5752 113.0354 122.6909 114.0108 119.1394 113.8408 115.4689 124.4007 114.6907 121.9176 116.8534 111.0591 110.3349 109.2197 112.8105 107.8476 108.4026 108.0811 109.989 109.7406 113.0937 107.9433 108.1888 107.7291 125.4577 118.1053 116.4341 122.351 113.3882 124.258 113.7553 124.3729 121.8645 111.6011 105.0665 109.9652 111.8258 110.1727 108.042 119.3784 120.0496 120.5708 119.8617 121.037 119.0878 119.8527 120.2998 119.8446 122.8437 118.2601 118.8088 118.9456 121.6868 119.3551 118.6123 119.4485 121.9378 122.9685 115.7509 121.2091 118.8387 120.6613 120.4997 119.2226 119.254 121.5227 120.7134 119.1426 120.1437 120.4374 119.3936 120.1674 119.5754 120.2024 120.2182 -DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0 A81 7 18 16 1 -1 181.245 -DE/DX|=|0.0 D1 D2 D3 D4 D5 D6 D7 D8 D9 D10 D11 D12 D13 D14 D15 D16 D17 D18 D19 D20 D21 D22 D23 D24 D25 D26 D27 D28 D29 D30 D31 D32 D33 D34 D35 D36 D37 D38 D39 D40 D41 D42 D43 D44 D45 D46 D47 D48 D49 D50 D51 D52 D53 D54 D55 D56 D57 D58 D59 D60 D61 D62 D63 D64 D65 D66 D67 D68 D69 D70 D71 D72 D73 D74 D75 D76 D77 D78 D79 D80 D81 D82 D83 D84 D85 D86 D87 D88 D89 D90 D91 D92 D93 D94 D95 D96 D97 D98 D99 D100 D101 D102 D103 D104 D105 D106 D107 D108 16 16 14 14 14 24 24 21 21 11 11 12 12 11 11 12 12 9 9 9 10 10 10 12 12 12 9 9 9 10 10 10 11 11 11 13 13 30 30 8 8 10 10 30 30 8 8 9 9 31 31 9 9 38 38 4 4 18 18 39 39 16 16 20 20 16 16 19 19 17 17 40 40 17 17 41 41 6 6 19 19 20 20 42 42 6 6 26 26 6 6 25 25 24 24 43 43 24 24 44 44 25 25 45 45 26 26 46 4 4 4 4 4 6 6 6 6 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 9 9 9 9 9 9 9 9 9 9 10 10 10 10 10 10 13 13 13 13 16 16 16 16 16 16 17 17 17 17 17 17 17 17 19 19 19 19 20 20 20 20 21 21 21 21 22 22 22 22 24 24 24 24 24 24 24 24 25 25 25 25 26 26 26 26 27 27 27 27 28 28 28 14 14 16 16 16 21 21 24 24 9 9 9 9 10 10 10 10 11 11 11 11 11 11 11 11 11 12 12 12 12 12 12 12 12 12 10 10 10 10 13 13 13 13 13 13 14 14 14 14 14 14 15 15 15 15 17 17 17 17 17 17 19 19 19 19 20 20 20 20 21 21 21 21 22 22 22 22 23 23 23 23 23 23 23 23 25 25 25 25 26 26 26 26 27 27 27 27 28 28 28 28 29 29 29 29 29 29 29 5 10 17 18 39 19 23 25 26 13 30 13 30 14 31 14 31 32 33 34 32 33 34 32 33 34 35 36 37 35 36 37 35 36 37 14 31 14 31 15 38 15 38 15 38 4 5 4 5 4 5 1 2 1 2 19 20 19 20 19 20 21 40 21 40 22 41 22 41 6 23 6 23 23 42 23 42 3 22 3 22 3 21 3 21 27 43 27 43 28 44 28 44 29 45 29 45 29 46 29 46 28 47 28 47 27 47 27 -2.7798 176.6312 -77.9489 160.6724 44.6297 54.3637 -129.078 26.1373 -156.9079 141.182 -6.5154 -3.307 -151.0043 -3.2205 -145.7933 138.6368 -3.9359 150.0589 -91.5589 28.6525 79.7241 -161.8937 -41.6824 -63.0199 55.3623 175.5736 82.1768 -159.2145 -38.901 151.4954 -89.8958 30.4177 -63.8056 54.8031 175.1166 -133.0063 9.1668 8.6793 150.8523 -142.6895 36.6734 145.6682 -34.9689 4.5795 -176.0575 52.936 -127.6661 -19.2378 160.1602 -163.3425 16.0555 -0.9627 177.9909 179.6648 -1.3815 -41.324 138.2736 76.0462 -104.3562 -163.7837 15.8139 178.3019 -0.3504 -1.2936 -179.9459 -179.6231 -0.2393 -0.0303 179.3534 178.1412 1.6009 -3.1803 -179.7205 1.0052 179.7068 -178.3814 0.3202 3.102 -177.3236 179.8021 -0.6235 178.8871 -0.6838 0.1547 -179.4162 176.9797 -2.8217 0.1868 -179.6147 -176.6887 3.0077 0.3242 -179.9794 -0.6049 179.5888 179.1969 -0.6094 -0.4259 -179.9565 179.8848 0.3542 0.5068 179.7747 -179.6888 -0.4209 0.0163 -179.2515 179.5433 -DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-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 -0.0596744322 PCM SMD-Coulomb. Total charges None On-the-fly selection n-Octanol 9.862900 2.043470 0.000000 2.935284 0.000000 8.135096 9.378243 0.000000 4.966503 6.654693 6.290127 0.000000 6.389722 7.252924 6.227637 2.261152 0.000000 5.620309 7.090005 2.678826 5.122797 5.749191 0.000000 6.590836 9.074111 7.049923 3.324066 5.176865 6.114286 0.000000 4.524881 5.247275 8.808602 3.087372 3.655157 7.256412 5.790354 0.000000 3.186328 4.114450 7.853171 2.864493 3.742334 6.031417 5.641878 1.516440 0.000000 4.606036 5.248619 7.473250 2.374356 2.385573 6.132487 5.596881 1.532116 1.534769 0.000000 5.124429 6.402589 9.275895 3.060491 4.135014 7.781268 4.971489 1.518174 2.596695 2.649968 0.000000 5.349550 5.338945 10.034576 4.542742 4.639520 8.509298 7.254802 1.519268 2.628145 2.584254 2.532710 0.000000 2.733199 2.705931 8.269722 4.195586 4.780157 6.267202 6.943499 2.619295 1.472724 2.592378 3.875784 3.064947 0.000000 5.306951 6.387094 6.503644 1.362680 1.216791 5.521150 4.624428 2.662677 2.633556 1.477961 3.142395 3.878217 3.825442 0.000000 1.748073 1.752715 8.409525 4.980739 5.844354 6.128080 7.352034 3.782976 2.498371 3.801995 4.826916 4.250643 1.335904 4.858198 0.000000 6.059528 7.912858 5.630736 1.444169 2.650835 4.950976 2.631151 4.481902 4.290351 3.698894 4.252446 5.904042 5.566428 2.374452 6.261318 0.000000 6.213354 7.970581 4.112073 2.451867 3.075187 3.693735 3.482035 5.434762 4.900733 4.357348 5.503991 6.827701 5.922419 3.065133 6.458449 1.518935 0.000000 6.214589 8.469821 6.340226 2.311850 4.043309 5.482259 1.159537 5.073809 4.906253 4.661977 4.464886 6.549334 6.225054 3.560826 6.755190 1.471868 2.475690 0.000000 5.284377 7.084048 3.627083 2.868644 3.763755 2.435286 4.028326 5.522664 4.625627 4.441163 5.788532 6.914489 5.390504 3.486212 5.675057 2.515733 1.397147 3.191292 0.000000 7.539023 9.136126 3.631877 3.650938 3.594556 4.171646 4.334881 6.562227 6.133418 5.383143 6.641965 7.873149 7.116614 3.999963 7.701255 2.527519 1.396275 3.420670 2.426997 0.000000 5.948150 7.516306 2.360848 4.208101 4.707481 1.374482 5.211541 6.695795 5.676391 5.501146 7.104720 8.009123 6.196076 4.623128 6.332334 3.797835 2.412321 4.460829 1.392242 2.799360 0.000000 8.027722 9.492805 2.366724 4.785489 4.594103 3.657913 5.441347 7.592135 6.975975 6.305370 7.826836 8.868767 7.762703 5.039241 8.213318 3.808991 2.414963 4.621987 2.801875 1.394989 2.431730 0.000000 7.319471 8.743893 1.347992 4.988309 5.049010 2.371368 5.798567 7.630927 6.762432 6.336043 8.008012 8.910234 7.342425 5.277257 7.594101 4.282998 2.764208 5.028558 2.405195 2.398435 1.398617 1.386785 0.000000 4.629880 5.802376 3.840477 5.145318 5.768226 1.390858 6.635853 6.719040 5.353786 5.660614 7.435116 7.844978 5.304338 5.384825 5.014646 5.358889 4.338087 5.965226 2.996396 5.054341 2.392940 4.730666 3.528696 0.000000 4.375560 5.014250 4.388300 4.716521 4.963687 2.449525 6.875896 5.868056 4.537140 4.709153 6.798651 6.846673 4.358555 4.623529 4.268312 5.181886 4.327014 6.045534 3.184771 5.077742 2.900452 4.921390 3.933391 1.397013 0.000000 4.475138 5.670499 4.845559 6.148168 7.008859 2.359696 7.358897 7.458812 5.999200 6.589650 8.152810 8.536129 5.744527 6.489226 5.130676 6.445560 5.527297 6.847038 4.136907 6.312939 3.586189 5.972125 4.710177 1.394979 2.432246 0.000000 3.900358 3.847851 5.713237 5.422277 5.655606 3.701399 7.793798 5.844869 4.443869 4.866893 6.951781 6.592052 3.816526 5.190332 3.499683 6.159551 5.521910 6.994542 4.416440 6.366682 4.277897 6.289693 5.326127 2.404654 1.396182 2.792866 0.000000 4.023594 4.674121 6.066621 6.703238 7.507051 3.644261 8.227274 7.438323 5.928158 6.698402 8.280748 8.329635 5.344083 6.899347 4.515071 7.253121 6.502699 7.699657 5.144924 7.384692 4.767978 7.136360 5.918667 2.406563 2.799722 1.394585 2.414326 0.000000 3.712258 3.627340 6.439407 6.386583 6.917703 4.171083 8.428981 6.680010 5.200575 5.919487 7.715849 7.395925 4.399258 6.330185 3.653442 7.132615 6.505984 7.769943 5.265511 7.413668 5.051366 7.277758 6.180622 2.783295 2.427171 2.422527 1.396509 1.396876 0.000000 2.749652 4.466918 7.466767 2.471615 3.968125 5.513975 4.802550 2.197312 1.084587 2.212054 2.694013 3.518231 2.171686 2.776510 2.720727 3.804448 4.416295 4.177615 4.051079 5.750293 5.175991 6.602879 6.344474 4.944309 4.392718 5.520252 4.481658 5.593546 5.110674 0.000000 5.148285 5.207882 7.652078 3.288060 2.563264 6.464707 6.584767 2.220248 2.245508 1.085123 3.526623 2.679416 2.765352 2.121532 4.034948 4.477326 4.940248 5.591532 4.999948 5.802190 5.881281 6.599885 6.614980 5.907846 4.770837 6.875024 4.793963 6.883611 5.939931 3.111262 0.000000 6.195888 7.329450 9.686023 3.449647 4.106906 8.441816 5.242124 2.159524 3.471158 3.086929 1.096147 2.811087 4.742170 3.363916 5.801654 4.441620 5.795098 4.712812 6.306581 6.778216 7.632354 8.037988 8.391582 8.193920 7.513559 9.015659 7.741945 9.205094 8.608405 3.671111 3.812953 0.000000 5.131164 6.409544 10.157502 4.008835 5.216107 8.488175 5.521643 2.146292 3.097383 3.531228 1.095611 2.742338 4.141980 4.187451 4.924232 5.187225 6.431939 5.197991 6.608577 7.624634 7.918330 8.794112 8.904514 8.059705 7.468792 8.632514 7.489771 8.652269 8.103917 3.142816 4.346638 1.770655 0.000000 4.905215 6.627138 8.596145 2.382336 3.968994 7.105016 3.903857 2.185985 2.731938 2.854777 1.090536 3.492197 4.137195 2.920043 4.934911 3.445756 4.736800 3.453813 5.032905 5.924649 6.393248 7.124217 7.305050 6.892729 6.430613 7.610432 6.752686 7.885647 7.487468 2.412555 3.887291 1.772476 1.769839 0.000000 5.266201 5.228873 10.809121 5.229636 5.631337 9.098258 7.660460 2.156931 3.072382 3.465808 2.817182 1.095841 3.301763 4.764508 4.255931 6.617195 7.583302 7.083760 7.579807 8.711260 8.693364 9.712975 9.686637 8.363624 7.434597 8.909343 7.063406 8.600345 7.696384 3.828799 3.667410 3.226137 2.580236 3.796375 0.000000 6.386427 6.408280 10.512034 4.880168 4.705411 9.195804 7.496406 2.153535 3.512139 3.084110 2.743267 1.095423 4.108084 4.136633 5.329198 6.119340 7.151736 6.784400 7.434377 8.085173 8.566420 9.155905 9.351917 8.636169 7.625172 9.421456 7.473510 9.294375 8.364218 4.335304 3.104089 2.574326 3.018684 3.772673 1.771501 0.000000 5.407320 4.859841 9.922791 4.974833 4.746323 8.424425 7.939650 2.191728 2.828865 2.710180 3.495325 1.092554 2.820499 4.113812 4.030159 6.337426 7.066213 7.144980 7.050058 8.055244 8.008653 8.927825 8.888211 7.656659 6.532844 8.347023 6.139154 8.037296 6.973241 3.871403 2.395348 3.791553 3.775659 4.351773 1.771724 1.766371 0.000000 3.701509 2.791186 8.744594 4.838857 4.961745 6.912976 7.802991 2.911894 2.201454 2.822263 4.348501 2.868947 1.085461 4.185229 2.062915 6.205082 6.541349 7.009909 6.090686 7.628707 6.820770 8.244458 7.867046 5.913282 4.796479 6.409326 4.123495 5.918679 4.796153 3.119608 2.584526 5.056953 4.635101 4.800998 3.189861 3.854858 2.256312 0.000000 6.992736 8.662170 6.097667 2.087447 2.447277 5.799431 3.150198 4.764747 4.867096 3.986764 4.465472 6.060086 6.187466 2.568287 7.029867 1.094698 2.156699 2.093280 3.401130 2.626792 4.550986 4.010386 4.772649 6.252835 5.967464 7.413965 6.940749 8.214055 8.009573 4.555685 4.647996 4.384036 5.464033 3.795306 6.853621 6.082971 6.511580 6.698443 0.000000 4.241054 6.236328 4.501159 2.606052 3.963387 2.688485 3.914878 4.922434 3.880771 4.023902 5.198512 6.332680 4.601955 3.355540 4.769594 2.722542 2.163624 3.181667 1.084407 3.412885 2.144105 3.886259 3.387785 2.821627 2.976839 3.754208 3.987227 4.599204 4.701318 3.180073 4.693217 5.867674 5.908294 4.444244 6.885503 6.961162 6.504252 5.416249 3.752012 0.000000 8.323016 9.895716 4.514286 3.972239 3.663412 5.256743 4.453060 6.813065 6.616223 5.703341 6.762664 8.070272 7.708729 4.243654 8.414453 2.732274 2.157330 3.572851 3.409855 1.085239 3.884444 2.152873 3.383787 6.115815 6.052591 7.382838 7.295826 8.426662 8.394511 6.293467 6.108563 6.726471 7.774772 6.082133 8.943392 8.138188 8.314198 8.167302 2.392800 4.310117 0.000000 9.095697 10.470863 2.594915 5.739668 5.305888 4.507003 6.263489 8.516900 7.969691 7.200501 8.744850 9.746955 8.749717 5.905341 9.233656 4.696143 3.409792 5.486814 3.885977 2.171159 3.403429 1.084483 2.136042 5.620264 5.806509 6.841690 7.164804 8.020019 8.166190 7.643081 7.419677 8.874310 9.739316 8.065493 10.631915 9.967801 9.781291 9.172624 4.718264 4.970277 2.507236 0.000000 4.956831 5.541081 4.076156 4.209796 4.075034 2.714476 6.605665 5.536057 4.385904 4.203276 6.471703 6.517951 4.425086 3.935040 4.654401 4.596122 3.717479 5.656722 2.834874 4.341938 2.657127 4.249336 3.474538 2.159874 1.084389 3.413851 2.160971 3.884086 3.411774 4.351483 4.183381 7.058495 7.261338 6.131100 7.236852 7.178789 6.205118 4.758105 5.245999 2.886651 5.246741 5.101782 0.000000 5.113822 6.574901 4.886665 6.711372 7.727449 2.546780 7.450280 8.249028 6.813073 7.425438 8.806044 9.401514 6.659651 7.209994 6.003564 6.845714 5.873875 7.071408 4.492693 6.592117 3.841514 6.166935 4.871607 2.143977 3.405391 1.085239 3.877847 2.170442 3.415518 6.214591 7.794408 9.672324 9.259808 8.168226 9.745228 10.276155 9.285500 7.391109 7.840386 4.176094 7.669108 6.991584 4.295971 0.000000 4.187804 3.504379 6.354457 5.502987 5.428626 4.588026 8.211569 5.474699 4.195761 4.491656 6.739200 6.015160 3.404028 5.019254 3.312848 6.377775 5.883547 7.338101 4.959605 6.703834 4.958638 6.724988 5.910816 3.387176 2.146266 3.878582 1.085728 3.400276 2.156388 4.496108 4.208139 7.468018 7.285435 6.704426 6.526289 6.870885 5.424573 3.440161 7.047049 4.557100 7.540717 7.565781 2.478798 4.963511 0.000000 4.388788 4.982148 6.913571 7.611334 8.536549 4.505470 8.931166 8.225502 6.709258 7.608956 9.025027 9.074864 6.041996 7.873089 5.046070 8.172141 7.457242 8.501517 6.082243 8.358677 5.699072 8.091318 6.841354 3.389487 3.885825 2.147496 3.401085 1.086114 2.157853 6.336579 7.821232 9.995713 9.299154 8.629249 9.244367 10.078736 8.794965 6.629022 9.165956 5.487585 9.408557 8.965009 4.970183 2.497324 4.301577 0.000000 3.865902 3.053649 7.489220 7.106417 7.594876 5.255461 9.257129 6.966806 5.527145 6.351680 8.080492 7.492946 4.480397 6.966051 3.591494 7.977897 7.459693 8.611602 6.260898 8.401899 6.116697 8.310795 7.240699 3.867877 3.408382 3.405359 2.155855 2.157341 1.084596 5.559133 6.290706 8.995233 8.369288 7.968805 7.691675 8.500708 6.989443 4.741931 8.834642 5.636861 9.354760 9.195412 4.306485 4.315429 2.485694 2.489291 0.000000 C22H18Cl2FNO3 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 0 416.1447031999997 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;2;3;7;4;5;6;30;31;32;33;34;35;36;37;38;39;40;41;42;43;44;45;46;47/rA:47nCl0Cl0F0O0O0O0N0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:-2.7534,-.9979,1.7867;-4.5349,-1.8223,-.3956;4.82,-2.2299,-.9163;.6364,2.3094,.291;1.0122,2.5946,-1.9204;2.4837,-2.468,.3726;2.3142,3.0153,3.0724;-2.304,2.927,-.4195;-2.0674,1.4588,-.1229;-1.2169,2.1669,-1.1863;-1.9326,3.9323,.6559;-3.5138,3.3504,-1.2351;-3.009,.4075,-.5435;.2346,2.3813,-1.0091;-3.3664,-.6528,.1865;2.0552,2.4624,.5131;2.8195,1.2032,.1423;2.1823,2.7751,1.9457;2.2696,-.0434,.4514;4.0518,1.2962,-.5076;2.9409,-1.2052,.08;4.7427,.1347,-.8535;4.1773,-1.0983,-.5649;1.1619,-2.8055,.1017;.4318,-2.2376,-.9452;.6153,-3.8082,.9029;-.8688,-2.6875,-1.1808;-.6814,-4.2533,.6473;-1.4286,-3.6953,-.3927;-1.5457,1.2707,.8092;-1.4513,1.9551,-2.2244;-1.6515,4.8896,.2019;-2.7999,4.11,1.3013;-1.1067,3.5951,1.2831;-4.4009,3.4011,-.5938;-3.3468,4.3471,-1.6579;-3.7313,2.6713,-2.0629;-3.4665,.4964,-1.5238;2.4315,3.3149,-.0613;1.311,-.1193,.9526;4.469,2.2677,-.7522;5.6989,.1702,-1.3638;.8695,-1.4623,-1.5642;1.2125,-4.2255,1.7073;-1.4431,-2.2465,-1.9898;-1.1094,-5.0341,1.2693;-2.4404,-4.0365,-.5827; 0.1693451 0.1270326 0.0856492 -101.57257 -101.57189 -24.70644 -19.19501 -19.17973 -19.13399 -14.33912 -10.32727 -10.29529 -10.28952 -10.27485 -10.25852 -10.24607 -10.23849 -10.21264 -10.21117 -10.20423 -10.20374 -10.20326 -10.19732 -10.19586 -10.19531 -10.18102 -10.18038 -10.18015 -10.17803 -10.17313 -10.16459 -10.16179 -9.48714 -9.48640 -7.25195 -7.25127 -7.24177 -7.24155 -7.24100 -7.24083 -1.24663 -1.13467 -1.09722 -1.04606 -0.93460 -0.92392 -0.89784 -0.88814 -0.86201 -0.84378 -0.82032 -0.78200 -0.77439 -0.75976 -0.75560 -0.74225 -0.73196 -0.69560 -0.67368 -0.66034 -0.64091 -0.61881 -0.60579 -0.60298 -0.58604 -0.56752 -0.56512 -0.55508 -0.54508 -0.52583 -0.51248 -0.50901 -0.50023 -0.49351 -0.49296 -0.48794 -0.47637 -0.47061 -0.46339 -0.45677 -0.44848 -0.44242 -0.44040 -0.43420 -0.43071 -0.42564 -0.41802 -0.41162 -0.41079 -0.40472 -0.40314 -0.39822 -0.39014 -0.38735 -0.38191 -0.37701 -0.37493 -0.36847 -0.36710 -0.36107 -0.35258 -0.35149 -0.34561 -0.34324 -0.33775 -0.33505 -0.33295 -0.32272 -0.31005 -0.29370 -0.27614 -0.26432 -0.26341 -0.24587 -0.23537 -0.04513 -0.03740 -0.03421 -0.02184 -0.01817 -0.01410 -0.00704 -0.00481 0.00181 0.00833 0.01170 0.01376 0.01639 0.01818 0.02470 0.02945 0.03072 0.03432 0.03947 0.04138 0.04680 0.04816 0.05264 0.05542 0.05987 0.06460 0.06513 0.06850 0.07070 0.07648 0.07839 0.08330 0.08401 0.08877 0.09254 0.09419 0.09537 0.09783 0.09906 0.10490 0.10554 0.10976 0.11244 0.11544 0.11746 0.11817 0.12231 0.12560 0.12612 0.12964 0.13261 0.13439 0.13646 0.14023 0.14257 0.14354 0.14824 0.15009 0.15190 0.15426 0.15514 0.15658 0.15948 0.16347 0.16701 0.16885 0.17091 0.17413 0.17579 0.17911 0.18218 0.18497 0.18733 0.18972 0.19131 0.19502 0.19597 0.19789 0.20061 0.20417 0.20744 0.20838 0.21016 0.21191 0.21249 0.21577 0.21783 0.22071 0.22191 0.22321 0.22546 0.22751 0.22962 0.23340 0.23417 0.23614 0.23857 0.23996 0.24278 0.24386 0.24581 0.24656 0.24860 0.25188 0.25401 0.25511 0.26179 0.26343 0.26493 0.26614 0.26739 0.27068 0.27181 0.27489 0.27589 0.27719 0.28123 0.28532 0.28590 0.28719 0.29134 0.29358 0.29610 0.29987 0.30429 0.30768 0.31112 0.31269 0.31669 0.31994 0.32183 0.32537 0.32829 0.33008 0.33149 0.33344 0.34124 0.34625 0.34804 0.35125 0.35261 0.35645 0.35791 0.36192 0.36285 0.36505 0.36872 0.37186 0.37582 0.37943 0.38587 0.38844 0.39235 0.39523 0.40493 0.40718 0.41207 0.41561 0.42198 0.43005 0.43628 0.44292 0.44507 0.44935 0.46182 0.46380 0.46945 0.47380 0.48486 0.48830 0.49231 0.49555 0.50178 0.50621 0.51555 0.51938 0.52143 0.52764 0.53060 0.53981 0.54520 0.54678 0.55300 0.56254 0.56684 0.57003 0.57812 0.57957 0.58467 0.58543 0.59266 0.59474 0.59743 0.60316 0.60588 0.61119 0.61698 0.62043 0.63088 0.63342 0.63680 0.64191 0.64745 0.65138 0.65348 0.65679 0.66410 0.66723 0.67027 0.67577 0.67949 0.67997 0.68973 0.69017 0.69276 0.69983 0.70232 0.70572 0.71038 0.71212 0.71569 0.71672 0.71960 0.72410 0.72632 0.72898 0.73586 0.73847 0.74695 0.75244 0.75450 0.75831 0.76644 0.76722 0.77028 0.77388 0.78164 0.78380 0.78437 0.79211 0.79739 0.80598 0.81090 0.81427 0.81637 0.81942 0.82693 0.82963 0.83346 0.83807 0.84754 0.85042 0.85123 0.85198 0.85672 0.86571 0.87807 0.88623 0.88911 0.89430 0.89924 0.90482 0.91294 0.91907 0.92251 0.92795 0.93440 0.94146 0.94547 0.94982 0.95141 0.95593 0.96241 0.97171 0.97559 0.98114 0.98560 0.99332 1.00328 1.00793 1.01327 1.01580 1.02064 1.02372 1.03376 1.04157 1.04259 1.05077 1.05460 1.06042 1.07312 1.07463 1.07825 1.08402 1.09342 1.10299 1.10527 1.10637 1.11517 1.12812 1.13525 1.14596 1.15052 1.15570 1.16505 1.17636 1.18535 1.19605 1.20195 1.20777 1.22382 1.23636 1.24865 1.25267 1.26678 1.27895 1.28654 1.30706 1.31064 1.32280 1.32671 1.33349 1.34139 1.35524 1.36182 1.37141 1.37903 1.39043 1.39259 1.40530 1.42032 1.43238 1.44443 1.45198 1.45705 1.46446 1.47147 1.47417 1.48377 1.48923 1.50245 1.50725 1.51064 1.51247 1.51531 1.52638 1.53083 1.54061 1.55019 1.55547 1.56752 1.57073 1.57431 1.57952 1.58300 1.58510 1.59247 1.60319 1.61091 1.61575 1.61896 1.62703 1.63195 1.63953 1.64734 1.65270 1.66329 1.66611 1.67122 1.67799 1.68737 1.69444 1.70331 1.70777 1.71406 1.72006 1.72628 1.73354 1.73376 1.74421 1.75426 1.75636 1.76648 1.77512 1.78871 1.79939 1.80028 1.80966 1.81596 1.82366 1.82779 1.83517 1.84623 1.85094 1.85605 1.86395 1.87933 1.89309 1.90104 1.90851 1.91866 1.92639 1.92880 1.93449 1.93786 1.94057 1.95797 1.96330 1.97316 1.97810 1.98514 1.99090 2.00078 2.00218 2.01126 2.01446 2.02492 2.03289 2.03860 2.04415 2.05169 2.05537 2.06637 2.07629 2.07842 2.08937 2.09460 2.10402 2.10939 2.11191 2.13127 2.13634 2.14981 2.16486 2.17882 2.19600 2.20398 2.21716 2.22698 2.22752 2.23706 2.24864 2.26903 2.28452 2.30259 2.31591 2.32088 2.32775 2.33597 2.34057 2.34839 2.35299 2.37125 2.38888 2.40336 2.41146 2.42787 2.44601 2.45056 2.45123 2.47473 2.48191 2.48567 2.49903 2.51149 2.52607 2.52794 2.54491 2.56141 2.56237 2.57297 2.58188 2.60169 2.61644 2.62531 2.63058 2.63839 2.65009 2.65460 2.65863 2.67392 2.68579 2.69287 2.70232 2.72263 2.72576 2.72748 2.73762 2.74699 2.75175 2.75586 2.76589 2.77387 2.77916 2.78400 2.79285 2.79633 2.80343 2.81372 2.81722 2.82658 2.82799 2.84107 2.84319 2.84740 2.85864 2.86223 2.86745 2.88676 2.89348 2.90518 2.90969 2.91617 2.92532 2.93856 2.94185 2.94700 2.96481 2.98074 2.99008 2.99506 3.00071 3.01841 3.03854 3.04829 3.06024 3.07410 3.08472 3.09502 3.10080 3.10505 3.11430 3.12257 3.14824 3.15383 3.15886 3.17221 3.17931 3.19318 3.20286 3.20924 3.22072 3.23981 3.26372 3.26617 3.31153 3.34096 3.35579 3.36377 3.38582 3.39593 3.40188 3.42099 3.45068 3.46181 3.52325 3.55171 3.55836 3.57610 3.59114 3.63405 3.64129 3.65417 3.68897 3.69828 3.71722 3.77798 3.78118 3.78664 3.80523 3.82686 3.83733 3.85225 3.88724 3.90179 3.96448 3.97384 3.97624 3.99694 4.00947 4.03575 4.06838 4.08052 4.10860 4.13092 4.15848 4.16607 4.17844 4.18300 4.22640 4.25084 4.30727 4.32451 4.53467 4.55746 4.61866 4.84065 4.85079 4.87379 5.11996 5.13754 5.15343 5.24879 5.42326 5.43663 5.64776 5.87545 5.88934 6.33883 6.46151 6.75600 9.79520 9.82769 23.53143 23.55651 23.61899 23.77122 23.79397 23.86544 23.87857 23.91190 23.94602 23.95564 23.96345 23.97703 23.99073 24.00595 24.03067 24.06923 24.07689 24.09340 24.15853 24.17043 24.18883 24.33145 25.94226 25.98000 26.07837 26.14141 26.62339 26.69276 35.85863 49.92796 49.98470 50.01939 66.80662 215.79295 215.83028 1-A. -3.3996 3.3143 -3.7147 6.0283 -179.5257 -183.6447 -200.4131 0.5747 -0.8531 -13.4303 8.3355 4.2165 -12.5520 0.5747 -0.8531 -13.4303 41.7002 10.2845 -54.9444 -66.2811 80.6888 -65.5827 -53.9788 -72.6581 -3.3297 -30.0805 -8401.4117 -6475.6101 -1770.3449 162.7360 -147.2693 19.6663 -274.5627 -145.6375 -187.8512 -2524.9306 -1756.5366 -1548.0816 -124.3479 -56.3598 -174.5336 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 416.1447031999997 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;2;3;7;4;5;6;30;31;32;33;34;35;36;37;38;39;40;41;42;43;44;45;46;47/rA:47nCl0Cl0F0O0O0O0N0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:-2.7307,-.6087,1.826;-4.7834,-1.0834,-.2126;4.2204,-2.9992,-1.0226;.9366,2.2176,.2363;1.2481,2.4942,-1.9794;1.9534,-2.8055,.4205;2.8174,2.6529,2.9356;-1.8996,3.3069,-.3264;-1.8796,1.8198,-.0445;-.9787,2.3958,-1.1458;-1.3279,4.2302,.7325;-3.0588,3.9228,-1.0883;-2.9855,.9254,-.4187;.4919,2.3823,-1.0366;-3.4203,-.1082,.3;2.3674,2.1191,.4104;2.8825,.7405,.0361;2.6013,2.4229,1.8279;2.1563,-.3873,.416;4.0667,.6106,-.688;2.5998,-1.6521,.0483;4.5312,-.6555,-1.0359;3.7898,-1.7645,-.6699;.5993,-2.9652,.141;-.0388,-2.3169,-.915;-.082,-3.8735,.9475;-1.3858,-2.5885,-1.1559;-1.4235,-4.1412,.6867;-2.0806,-3.501,-.3642;-1.3482,1.55,.8587;-1.2944,2.2362,-2.1694;-.911,5.1297,.268;-2.1296,4.5428,1.4088;-.5481,3.7578,1.3282;-3.8968,4.1083,-.4088;-2.7521,4.8824,-1.5153;-3.4158,3.2943,-1.9056;-3.5051,1.118,-1.3504;2.8695,2.8839,-.187;1.2349,-.295,.978;4.6221,1.4905,-.99;5.4447,-.7906,-1.6019;.5011,-1.617,-1.5403;.4451,-4.3592,1.7603;-1.8888,-2.0819,-1.9719;-1.9568,-4.8475,1.3134;-3.127,-3.7029,-.5563; 0.000000 2.931662 0.000000 7.883306 9.240954 0.000000 4.895310 6.619427 6.291536 0.000000 6.319815 7.231945 6.318840 2.254517 0.000000 5.361190 6.982244 2.694275 5.128293 5.860372 0.000000 6.530756 9.035688 7.041491 3.318619 5.161881 6.071778 0.000000 4.544770 5.253909 8.815103 3.089878 3.647085 7.263942 5.772254 0.000000 3.181263 4.109609 7.835136 2.857988 3.739189 6.025074 5.624676 1.513700 0.000000 4.574711 5.239452 7.493461 2.368607 2.379779 6.172858 5.579822 1.532827 1.535041 0.000000 5.155418 6.408413 9.280554 3.069988 4.123579 7.769533 4.952324 1.516777 2.591931 2.648555 0.000000 5.397662 5.366840 10.045099 4.541482 4.624291 8.524547 7.234219 1.517701 2.627264 2.580996 2.530924 0.000000 2.730758 2.703785 8.227466 4.181073 4.777049 6.246304 6.921646 2.618957 1.470682 2.591878 3.872263 3.072121 0.000000 5.246502 6.365513 6.546972 1.358343 1.213781 5.583250 4.610792 2.660576 2.631518 1.474731 3.139428 3.870779 3.820548 0.000000 1.747778 1.752690 8.275706 4.939202 5.810527 6.013901 7.312929 3.790397 2.491851 3.784381 4.835943 4.278594 1.331865 4.826430 0.000000 5.952764 7.859939 5.628841 1.444749 2.665448 4.941939 2.619964 4.490167 4.281797 3.700659 4.268061 5.911262 5.546680 2.383395 6.202453 0.000000 6.044145 7.883827 4.110533 2.451197 3.131919 3.685781 3.473990 5.439328 4.883525 4.364134 5.512756 6.832970 5.888440 3.092101 6.365125 1.518482 0.000000 6.133612 8.425694 6.336159 2.312268 4.041222 5.453189 1.151796 5.067619 4.893687 4.654027 4.461500 6.541411 6.204994 3.557573 6.708259 1.468449 2.473895 0.000000 5.091174 7.002863 3.626616 2.881902 3.855618 2.426739 4.003496 5.536118 4.622972 4.473606 5.793198 6.930835 5.371946 3.542737 5.584810 2.515200 1.394081 3.176271 0.000000 7.349204 9.023288 3.628542 3.637879 3.627643 4.167024 4.343097 6.557237 6.101993 5.371421 6.649890 7.867802 7.064263 4.004913 7.585981 2.523769 1.394105 3.429545 2.421555 0.000000 5.715170 7.409729 2.363861 4.216213 4.809477 1.373527 5.188155 6.706501 5.668161 5.533316 7.106126 8.024396 6.169041 4.679449 6.220045 3.795647 2.409297 4.446693 1.389877 2.795294 0.000000 7.805592 9.360716 2.364324 4.774304 4.646405 3.659026 5.445662 7.586748 6.943186 6.299286 7.831089 8.863970 7.705818 5.054086 8.081456 3.804147 2.411664 4.626266 2.796404 1.392715 2.428794 0.000000 7.076901 8.612425 1.354371 4.981898 5.129497 2.375916 5.784374 7.629333 6.736518 6.346137 8.005909 8.911964 7.294035 5.311018 7.461228 4.274619 2.756232 5.018610 2.396738 2.391233 1.394498 1.383302 0.000000 4.413683 5.713089 3.803641 5.194599 5.892542 1.391902 6.655273 6.767651 5.392100 5.734609 7.472414 7.895291 5.319750 5.476672 4.934008 5.389645 4.353853 5.990457 3.024182 5.049360 2.394770 4.709542 3.504123 0.000000 4.204423 4.952449 4.314802 4.778986 5.092782 2.447654 6.905356 5.952827 4.610715 4.811092 6.873190 6.934259 4.409273 4.730702 4.217740 5.217699 4.334304 6.079455 3.211486 5.047413 2.886549 4.864111 3.876005 1.393682 0.000000 4.294853 5.588682 4.812121 6.216474 7.133284 2.358275 7.413017 7.515555 6.052133 6.670065 8.201694 8.589908 5.772816 6.587957 5.073531 6.496058 5.559473 6.900750 4.176893 6.324028 3.596563 5.964164 4.696290 1.392715 2.427656 0.000000 3.823587 3.833949 5.622774 5.516354 5.783579 3.698980 7.866349 5.975547 4.572949 5.000902 7.075567 6.723066 3.930594 5.314994 3.522886 6.221005 5.542672 7.065017 4.456787 6.338935 4.267566 6.225873 5.263280 2.400880 1.395076 2.788416 0.000000 3.935168 4.631264 6.006579 6.797619 7.633822 3.641220 8.318816 7.531758 6.022997 6.803606 8.372103 8.417427 5.415959 7.013961 4.516927 7.323835 6.541854 7.783933 5.194283 7.389935 4.773895 7.111669 5.887930 2.402579 2.794806 1.392517 2.409936 0.000000 3.685808 3.629495 6.355140 6.493617 7.045047 4.168103 8.529395 6.810407 5.334204 6.049621 7.844822 7.522883 4.518287 6.456329 3.707760 7.209069 6.540895 7.862538 5.315652 7.402650 5.049283 7.229404 6.129525 2.779234 2.423746 2.419436 1.393655 1.395085 0.000000 2.739827 4.459027 7.432622 2.460391 3.960752 5.482974 4.783554 2.189803 1.082099 2.206827 2.683275 3.513834 2.168534 2.769680 2.712023 3.785618 4.385287 4.159346 4.028736 5.709266 5.147540 6.559022 6.302534 4.969317 4.451228 5.569983 4.602917 5.694301 5.248300 0.000000 5.110699 5.198294 7.690066 3.281005 2.562640 6.532550 6.568228 2.215701 2.243019 1.083003 3.521093 2.669515 2.764539 2.120267 4.014127 4.480838 4.954548 5.584763 5.047199 5.794631 5.933139 6.601780 6.641011 5.998137 4.886806 6.965100 4.930810 6.988966 6.065677 3.105360 0.000000 6.218366 7.336869 9.699264 3.448880 4.081423 8.437733 5.210706 2.157212 3.462880 3.078561 1.094877 2.812362 4.738296 3.349319 5.808019 4.453316 5.805944 4.700611 6.314034 6.790654 7.639831 8.048911 8.396847 8.235509 7.590279 9.066748 7.862781 9.294538 8.732556 3.654408 3.802675 0.000000 5.203176 6.428490 10.154564 4.022740 5.204325 8.464312 5.511380 2.142704 3.096632 3.529842 1.094390 2.735566 4.142204 4.185619 4.952435 5.205196 6.439101 5.200999 6.607546 7.632287 7.911677 8.795651 8.896169 8.088428 7.538340 8.673992 7.614822 8.742536 8.237038 3.141645 4.338344 1.769441 0.000000 4.906915 6.614308 8.597791 2.401815 3.970268 7.082258 3.889890 2.183493 2.722688 2.856743 1.089113 3.488569 4.124923 2.926705 4.924668 3.468152 4.747880 3.456914 5.032641 5.938517 6.388636 7.131951 7.301080 6.922710 6.495640 7.654952 6.866413 7.973235 7.609438 2.394808 3.886554 1.771387 1.767402 0.000000 5.348328 5.270570 10.806578 5.229952 5.616213 9.094705 7.640920 2.153518 3.072327 3.462793 2.813589 1.094693 3.310864 4.757481 4.302140 6.623321 7.582770 7.075896 7.584901 8.702193 8.694689 9.701393 9.676879 8.399456 7.511607 8.949920 7.191004 8.681774 7.823240 3.827147 3.657442 3.227427 2.572050 3.788619 0.000000 6.427769 6.435339 10.534591 4.876020 4.681929 9.219132 7.469981 2.149973 3.507699 3.076430 2.739726 1.094160 4.112724 4.123467 5.352287 6.128113 7.163132 6.773820 7.455979 8.088755 8.589973 9.162065 9.364415 8.692433 7.717006 9.479404 7.603250 9.382941 8.488648 4.325701 3.091125 2.575102 3.008842 3.769309 1.770182 0.000000 5.443146 4.888925 9.934747 4.968925 4.732603 8.452629 7.918423 2.189234 2.828068 2.706283 3.492054 1.091033 2.829831 4.105723 4.054842 6.339598 7.068260 7.134672 7.070531 8.041866 8.029494 8.916898 8.890403 7.712995 6.623570 8.404255 6.268210 8.122653 7.094763 3.867709 2.385269 3.790412 3.768048 4.346930 1.770404 1.764817 0.000000 3.697322 2.788360 8.760207 4.843032 4.988248 6.951599 7.790965 2.901211 2.199986 2.838518 4.331733 2.852114 1.083979 4.203917 2.057734 6.211967 6.547176 7.006564 6.118598 7.617546 6.848325 8.235597 7.873187 5.978431 4.899317 6.473942 4.273997 6.011853 4.933246 3.117469 2.609260 5.044036 4.608035 4.784016 3.159450 3.842470 2.247841 0.000000 6.900233 8.620225 6.093814 2.087930 2.448127 5.794644 3.131614 4.789918 4.868991 3.995795 4.502963 6.085737 6.178225 2.574173 6.982243 1.092727 2.155052 2.084307 3.401912 2.617674 4.550160 4.001115 4.763199 6.282801 6.003090 7.460656 6.999560 8.279269 8.081043 4.545602 4.656993 4.420701 5.503573 3.839232 6.879756 6.112355 6.528930 6.716200 0.000000 4.067339 6.185394 4.497590 2.636753 4.065266 2.670120 3.876465 4.949785 3.901022 4.080581 5.206348 6.363558 4.609942 3.432041 4.708003 2.726301 2.161962 3.158626 1.083237 3.408040 2.137527 3.879595 3.376788 2.869517 3.048536 3.813182 4.084281 4.684535 4.803391 3.176585 4.765540 5.876783 5.908423 4.441523 6.902670 6.994147 6.544268 5.466718 3.759686 0.000000 8.148598 9.782275 4.507779 3.951618 3.656460 5.250404 4.474232 6.802371 6.578317 5.675598 6.773148 8.057338 7.649842 4.225594 8.300566 2.727580 2.154447 3.590773 3.403352 1.083488 3.878631 2.148371 3.374929 6.108610 6.018771 7.392891 7.263608 8.430685 8.380517 6.250261 6.078760 6.740973 7.788143 6.102899 8.930914 8.133823 8.288474 8.143635 2.378623 4.305153 0.000000 8.866775 10.326178 2.590827 5.722842 5.342620 4.509807 6.272887 8.506169 7.929977 7.184766 8.747904 9.735906 8.683968 5.909048 9.092315 4.688796 3.404718 5.493176 3.879135 2.167343 3.399781 1.083075 2.134359 5.589652 5.733202 6.822594 7.077172 7.977190 8.093703 7.594477 7.409339 8.884839 9.740529 8.073812 10.615329 9.968809 9.761464 9.154428 4.704823 4.962218 2.500897 0.000000 4.774201 5.474868 4.001428 4.248516 4.201534 2.714111 6.605358 5.610823 4.440337 4.295106 6.534547 6.600430 4.458439 4.030922 4.587004 4.609363 3.703191 5.663607 2.842369 4.289681 2.632404 4.173754 3.405121 2.157304 1.082803 3.408960 2.156862 3.877582 3.405617 4.382332 4.297254 7.126112 7.318468 6.182003 7.307585 7.268110 6.292569 4.854442 5.262968 2.937300 5.190504 5.012508 0.000000 4.914940 6.477749 4.883322 6.768960 7.848577 2.546412 7.495259 8.283791 6.844106 7.490215 8.830534 9.433091 6.666657 7.298874 5.928375 6.890987 5.909380 7.116996 4.529003 6.618822 3.860306 6.183242 4.881148 2.142287 3.400342 1.083759 3.871967 2.166037 3.410221 6.240796 7.871970 9.700815 9.273518 8.188973 9.759971 10.313042 9.323235 7.435070 7.882462 4.213470 7.696136 7.002473 4.291518 0.000000 4.159656 3.531477 6.250128 5.598633 5.548119 4.583590 8.285534 5.634427 4.351809 4.643365 6.889916 6.181088 3.557929 5.145117 3.376768 6.437292 5.896013 7.408975 4.993669 6.660702 4.940996 6.642781 5.834571 3.381493 2.143526 3.872538 1.084144 3.394909 2.152934 4.636278 4.363304 7.614511 7.441331 6.840331 6.692878 7.032435 5.589313 3.638430 7.105415 4.653159 7.491146 7.455444 2.472657 4.956036 0.000000 4.339210 4.948395 6.857882 7.710191 8.661102 4.500763 9.037704 8.317762 6.804550 7.711639 9.117937 9.159655 6.114263 7.986786 5.062586 8.249052 7.501700 8.596514 6.133238 8.371262 5.707315 8.073785 6.816299 3.383941 3.879185 2.144128 3.395067 1.084394 2.154679 6.442376 7.921278 10.086157 9.392305 8.719813 9.323951 10.163829 8.875790 6.714118 9.236844 5.569911 9.421101 8.929646 4.961962 2.491467 4.294846 0.000000 3.925074 3.118243 7.395748 7.224494 7.718253 5.250770 9.376874 7.120084 5.684861 6.492822 8.235968 7.644459 4.632458 7.096289 3.706899 8.063408 7.497257 8.719179 6.312901 8.388828 6.112951 8.256209 7.184231 3.862091 3.403944 3.400385 2.152509 2.153963 1.082882 5.723526 6.421285 9.143566 8.535047 8.115647 7.850429 8.646747 7.131962 4.900414 8.915222 5.744022 9.338514 9.113097 4.299158 4.307903 2.482840 2.485035 0.000000 C22H18Cl2FNO3 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 0 416.1447031999997 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;2;3;7;4;5;6;30;31;32;33;34;35;36;37;38;39;40;41;42;43;44;45;46;47/rA:47nCl0Cl0F0O0O0O0N0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:-2.5561,-1.1044,1.7353;-4.4304,-1.9226,-.3652;4.7908,-2.1641,-.9193;.5798,2.3568,.2688;.8979,2.7084,-1.9353;2.4868,-2.4,.4573;2.2737,3.0982,3.0246;-2.3903,2.9191,-.3717;-2.1083,1.4575,-.0968;-1.2965,2.1988,-1.1682;-2.0258,3.9198,.7083;-3.6202,3.3222,-1.1643;-3.0223,.3812,-.5081;.1484,2.4513,-1.0157;-3.2821,-.7215,.1922;1.9992,2.5178,.4845;2.7665,1.2596,.1186;2.1341,2.8444,1.9098;2.247,.0149,.4711;3.9744,1.3542,-.571;2.923,-1.1446,.1103;4.6708,.1972,-.9115;4.1333,-1.0317,-.5732;1.1925,-2.7998,.1372;.4772,-2.2672,-.9338;.6653,-3.825,.9187;-.7907,-2.7762,-1.2157;-.5973,-4.329,.6171;-1.3301,-3.8079,-.4495;-1.5623,1.2792,.8202;-1.5491,1.9952,-2.2014;-1.7663,4.8848,.2609;-2.8895,4.0747,1.3623;-1.1901,3.5906,1.3243;-4.4967,3.3456,-.5088;-3.4811,4.3259,-1.5771;-3.834,2.648,-1.9949;-3.5419,.4859,-1.4536;2.3705,3.3672,-.094;1.3087,-.0675,1.0062;4.3689,2.3234,-.8521;5.6091,.2359,-1.451;.8983,-1.4745,-1.5393;1.2489,-4.2154,1.7442;-1.3543,-2.3609,-2.0435;-1.0108,-5.1268,1.2242;-2.3166,-4.1942,-.6733; 0.1660170 0.1305795 0.0860655 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= 776 776 776 776 776 MxSgAt= 47 MxSgA2= 47. 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= 762 RedAO= T EigKep= 1.26D-06 NBF= 762 NBsUse= 760 1.00D-06 EigRej= 9.59D-07 NBFU= 760 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= 776 776 776 776 776 MxSgAt= 47 MxSgA2= 47. 1 -1.33751534e+00 1.30394049e+00 -1.46147090e+00 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 17 17 9 8 8 8 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 -0.000204134 -0.000135816 -0.000448547 0.000211331 0.000110462 0.000310342 0.001774356 -0.003083599 -0.001301592 0.000265627 0.000483196 -0.004723786 -0.003608199 -0.000172606 0.004592517 0.000097763 0.001842097 -0.000404089 -0.003152208 -0.003290248 -0.017276249 -0.000514674 0.000155360 0.000704853 -0.000289844 -0.000402654 0.000916878 0.001865961 -0.000830020 -0.001297353 0.000335407 0.000052570 0.000315535 -0.000153904 -0.000060451 -0.000654203 -0.001261741 -0.002146001 0.001659949 0.000399085 0.000658928 -0.001392905 0.001849042 0.003578437 -0.002589491 0.001001517 0.000280477 0.001821200 0.000598121 -0.002565996 -0.000049670 0.003241297 0.003138624 0.015222821 0.001759789 0.000298893 -0.001174136 -0.000846570 -0.000727302 0.000703692 0.001709565 -0.000089003 -0.000694988 -0.000979605 -0.001400604 0.000070319 -0.003026439 0.007426566 0.002612875 -0.003245263 -0.000832511 0.000022186 0.000583280 -0.001049508 0.001160448 0.000073035 0.000881055 -0.001048400 -0.000069804 -0.000537938 0.000654387 0.000135998 0.000458632 -0.000379492 0.000949846 0.000085134 -0.000260195 -0.000617321 0.000740253 -0.001262391 0.000013037 0.000240931 0.001372967 -0.000327743 -0.000701778 0.000176363 0.000458575 -0.000369617 -0.000596021 -0.000932766 0.000400957 -0.000465719 0.000735782 -0.000242892 -0.000276357 -0.000058208 -0.000713680 0.000408582 0.000337023 0.000493070 0.000788310 0.000414104 -0.000254631 0.000929946 -0.000239479 -0.000786918 0.001326505 0.001026925 -0.000315673 -0.000313415 -0.000535179 -0.001068065 0.000147220 -0.000697205 0.000404783 0.000475169 -0.000705448 -0.000723164 0.000456530 -0.000710714 0.000346956 -0.000693790 0.000596649 -0.000582032 0.000845617 0.000535189 0.000794408 -0.000701786 0.001208142 0.000210919 0.000309362 0.017276249 0.002419735 (Enter /usr/local/gaussian/gaussian16/g16/l716.exe) Closed 1 1 1 -2150.23526482254 -2150.23526667230 -0.000001849760 -2150.23526667078 0.000000001526 -2150.23526669577 -0.000000024993 -2150.23526669714 -0.000000001372 -2150.23526669709 0.000000000048 -2150.23526669737 -0.000000000276 -2150.23526669735 0.000000000020 -2150.23526669744 -0.000000000088 -2150.23526669709 0.000000000341 -2150.23526670 10 2.143025651834e+03 -1.125972454859e+04 3.864172842274e+03 Using DIIS extrapolation, IDIIS= 1040. NGot= 2831155200 LenX= 2829882710 LenY= 2829256238 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) PT569923.200S Thu Oct 3 03:36:26 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 Cl Cl F O O O 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 0.100452 0.128596 -0.179972 0.144285 -0.239626 -0.017833 -0.310671 0.537309 0.452296 -0.214971 -0.531679 -0.502483 -1.741519 -0.480637 0.553759 0.541484 0.931707 -0.487367 0.472165 -0.473640 -0.851746 0.028152 -0.207299 -0.636930 0.191864 -0.323505 0.277991 -0.091579 -0.265781 0.196134 0.203313 0.165080 0.164983 0.159409 0.171540 0.169873 0.151352 0.197606 0.244349 0.196436 0.166713 0.179916 0.178764 0.161017 0.158430 0.163537 0.168726 -0.00000 -101.57182 -101.57127 -24.70524 -19.19401 -19.17891 -19.13284 -14.33715 -10.32609 -10.29477 -10.28883 -10.27472 -10.25779 -10.24559 -10.23620 -10.21197 -10.21084 -10.20335 -10.20263 -10.20225 -10.19711 -10.19572 -10.19509 -10.17988 -10.17918 -10.17907 -10.17699 -10.17181 -10.16397 -10.16125 -9.48644 -9.48580 -7.25126 -7.25066 -7.24107 -7.24085 -7.24040 -7.24022 -1.24351 -1.13517 -1.09673 -1.04647 -0.93745 -0.92395 -0.89820 -0.88984 -0.86279 -0.84319 -0.82163 -0.78301 -0.77517 -0.76028 -0.75584 -0.74273 -0.73265 -0.69606 -0.67414 -0.66057 -0.64132 -0.61885 -0.60652 -0.60372 -0.58608 -0.56779 -0.56490 -0.55416 -0.54576 -0.52619 -0.51236 -0.50920 -0.50014 -0.49348 -0.49189 -0.48812 -0.47595 -0.47108 -0.46422 -0.45704 -0.44797 -0.44214 -0.44047 -0.43390 -0.43079 -0.42501 -0.41857 -0.41211 -0.41104 -0.40463 -0.40295 -0.39799 -0.39013 -0.38731 -0.38215 -0.37767 -0.37570 -0.36908 -0.36743 -0.36189 -0.35262 -0.35090 -0.34575 -0.34320 -0.33771 -0.33501 -0.33251 -0.32200 -0.30979 -0.29271 -0.27661 -0.26487 -0.26359 -0.24619 -0.23596 -0.04502 -0.03663 -0.03374 -0.02148 -0.01734 -0.01221 -0.00654 -0.00301 0.00227 0.00860 0.01176 0.01489 0.01638 0.01872 0.02515 0.02971 0.03081 0.03421 0.04000 0.04127 0.04718 0.04855 0.05278 0.05523 0.05965 0.06421 0.06505 0.06839 0.07107 0.07651 0.07832 0.08363 0.08435 0.08856 0.09296 0.09456 0.09532 0.09752 0.09923 0.10476 0.10546 0.10960 0.11274 0.11507 0.11764 0.11885 0.12290 0.12564 0.12655 0.12984 0.13319 0.13490 0.13753 0.14016 0.14247 0.14387 0.14773 0.14994 0.15242 0.15477 0.15576 0.15711 0.15935 0.16434 0.16668 0.16862 0.17222 0.17515 0.17601 0.18053 0.18217 0.18527 0.18817 0.19104 0.19239 0.19442 0.19655 0.19842 0.20104 0.20549 0.20702 0.20885 0.20996 0.21204 0.21298 0.21513 0.21819 0.22014 0.22222 0.22376 0.22563 0.22734 0.22983 0.23277 0.23472 0.23551 0.23814 0.24069 0.24311 0.24467 0.24629 0.24660 0.24885 0.25254 0.25428 0.25529 0.26224 0.26417 0.26506 0.26618 0.26714 0.27071 0.27226 0.27557 0.27605 0.27845 0.28293 0.28358 0.28685 0.28872 0.29164 0.29369 0.29500 0.29830 0.30339 0.30915 0.31177 0.31279 0.31770 0.31787 0.32393 0.32518 0.32884 0.32960 0.33287 0.33359 0.34157 0.34622 0.34954 0.35240 0.35291 0.35715 0.35884 0.36102 0.36345 0.36483 0.37122 0.37235 0.37559 0.38170 0.38752 0.38936 0.39386 0.39471 0.40440 0.40761 0.41161 0.41692 0.42320 0.42848 0.43571 0.44237 0.44480 0.44935 0.46139 0.46442 0.47129 0.47589 0.48401 0.48793 0.49377 0.49541 0.50293 0.50721 0.51637 0.51899 0.52238 0.52978 0.53122 0.54071 0.54629 0.54934 0.55570 0.56437 0.56792 0.57005 0.57897 0.58144 0.58473 0.58813 0.59383 0.59538 0.59712 0.60201 0.60653 0.61435 0.61717 0.61988 0.63241 0.63530 0.63859 0.64453 0.64949 0.65063 0.65404 0.66072 0.66264 0.66740 0.67287 0.67726 0.67827 0.68169 0.69150 0.69218 0.69423 0.70206 0.70419 0.70860 0.70918 0.71357 0.71571 0.71817 0.72036 0.72564 0.72827 0.72905 0.73301 0.73799 0.74730 0.75269 0.75451 0.75776 0.76533 0.76838 0.77140 0.77657 0.78184 0.78229 0.78539 0.79423 0.79580 0.80611 0.81063 0.81369 0.81451 0.81893 0.82411 0.83012 0.83110 0.83860 0.84751 0.84846 0.84977 0.85334 0.85649 0.86511 0.87518 0.88688 0.88798 0.89051 0.89628 0.90647 0.91026 0.92077 0.92340 0.93131 0.93310 0.94037 0.94750 0.94879 0.95119 0.95902 0.96617 0.97165 0.97250 0.98491 0.98881 0.99371 1.00553 1.00877 1.01086 1.01787 1.02055 1.02399 1.03215 1.03840 1.04355 1.05264 1.05750 1.06290 1.07323 1.07597 1.08475 1.08755 1.09160 1.10394 1.10678 1.10744 1.12122 1.12866 1.13210 1.14550 1.14876 1.15579 1.16316 1.18010 1.18629 1.19840 1.20057 1.20974 1.22758 1.24107 1.24808 1.25037 1.26734 1.27785 1.28347 1.30471 1.30878 1.32221 1.32484 1.33410 1.34566 1.35610 1.36547 1.37119 1.38063 1.39215 1.39304 1.40451 1.41907 1.43414 1.44625 1.45292 1.45873 1.46518 1.47469 1.47678 1.48506 1.48994 1.50457 1.50789 1.51246 1.51333 1.51609 1.52799 1.53141 1.54123 1.54966 1.55629 1.57112 1.57130 1.57720 1.58161 1.58355 1.58807 1.59366 1.60356 1.61244 1.61421 1.62036 1.62638 1.63213 1.64265 1.64590 1.65210 1.66569 1.66799 1.67209 1.67904 1.68760 1.69588 1.70590 1.70882 1.71532 1.72022 1.73081 1.73575 1.73633 1.74448 1.75552 1.75750 1.76800 1.77685 1.78977 1.79947 1.80120 1.81084 1.81814 1.82738 1.83028 1.83563 1.84725 1.85137 1.85852 1.86779 1.87925 1.89480 1.90155 1.90849 1.92022 1.92784 1.93070 1.93626 1.93794 1.94176 1.95986 1.96472 1.97256 1.98024 1.98751 1.99099 2.00032 2.00492 2.01267 2.01883 2.02490 2.03488 2.04199 2.04461 2.05588 2.06097 2.06775 2.07830 2.08060 2.09183 2.09644 2.10449 2.11014 2.11462 2.13609 2.13872 2.15372 2.16751 2.18156 2.19756 2.20645 2.21934 2.22852 2.23082 2.23788 2.25097 2.27128 2.28663 2.30331 2.31949 2.32365 2.32841 2.33951 2.34395 2.35071 2.35809 2.37647 2.39179 2.40638 2.41582 2.42920 2.44928 2.45307 2.45687 2.47705 2.48260 2.48860 2.50320 2.51383 2.52891 2.53075 2.54589 2.56339 2.56579 2.57559 2.58467 2.60790 2.61840 2.62667 2.63513 2.64063 2.65264 2.65838 2.66020 2.67820 2.69162 2.69502 2.70583 2.72473 2.72644 2.73001 2.74121 2.75043 2.75414 2.75879 2.76587 2.77559 2.77926 2.78348 2.79153 2.79875 2.80400 2.81377 2.82194 2.82760 2.83136 2.84111 2.84533 2.84858 2.85843 2.86804 2.86921 2.88839 2.89842 2.90674 2.90796 2.91982 2.92903 2.93930 2.94367 2.95149 2.96724 2.98003 2.98558 2.99739 3.00158 3.01795 3.03725 3.05072 3.06103 3.07316 3.08440 3.09869 3.10441 3.10757 3.11492 3.12344 3.14964 3.15414 3.15791 3.17571 3.18057 3.19316 3.20464 3.21375 3.22276 3.24318 3.26737 3.27539 3.31842 3.34435 3.36033 3.36746 3.39006 3.39443 3.40456 3.42254 3.45453 3.46334 3.52575 3.55645 3.56322 3.57954 3.59587 3.63941 3.64629 3.65964 3.69336 3.70290 3.72207 3.77938 3.78281 3.78992 3.80881 3.83062 3.84099 3.85551 3.88805 3.90557 3.96784 3.97093 3.97977 3.99968 4.01463 4.03831 4.07260 4.08822 4.10565 4.13001 4.16196 4.16607 4.18160 4.18272 4.22989 4.25659 4.31228 4.32882 4.53800 4.56021 4.62939 4.84490 4.85374 4.87223 5.11939 5.13836 5.15715 5.24707 5.42086 5.43633 5.65346 5.88052 5.89304 6.34169 6.46246 6.74975 9.79410 9.83503 23.53108 23.55541 23.62264 23.77335 23.79770 23.87019 23.88707 23.91732 23.95440 23.95834 23.96699 23.98351 23.99461 24.01143 24.04054 24.07863 24.08583 24.10052 24.16948 24.18556 24.19796 24.35442 25.94453 25.98660 26.10307 26.15165 26.61337 26.69217 35.87760 49.92703 49.98694 50.02364 66.80816 215.79152 215.83900 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 Cl Cl F O O O 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 0.106270 0.153183 -0.183445 0.141859 -0.250552 -0.026598 -0.315997 0.524575 0.426117 -0.218863 -0.532487 -0.500747 -1.698554 -0.455469 0.543121 0.523482 0.869698 -0.475628 0.408330 -0.430151 -0.807345 0.008912 -0.131265 -0.572911 0.193162 -0.381527 0.228615 -0.060541 -0.278198 0.198026 0.203753 0.164866 0.164654 0.159031 0.171363 0.169871 0.151420 0.196496 0.243038 0.196929 0.166849 0.180006 0.179698 0.160434 0.158040 0.162532 0.165950 -0.00000 -1.37763501e+00 1.25869562e+00 -1.43850018e+00 ./ancestor::cml:module[@dictRef='cc:finalization']/cml:molecule[@id='mol9999'] -3.5016 3.1993 -3.6563 5.9888 -178.5718 -184.2672 -199.9976 0.2863 -1.3405 -12.7948 9.0404 3.3450 -12.3854 0.2863 -1.3405 -12.7948 31.4099 2.1766 -51.8823 -67.5792 84.2042 -66.8815 -50.0045 -73.9235 -3.9471 -32.5226 -8188.3663 -6652.5935 -1739.0196 153.5653 -148.4203 19.5587 -273.8808 -136.9842 -183.6776 -2512.7551 -1701.5032 -1584.7974 -127.7434 -57.1111 -168.7315 (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A) (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A) (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A) (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(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 -2150.2352667 1.374E-9 5.745E-6 6.4844789,2.4569876,-8.9414664,-0.843394,-3.1655135,-9.2117262 C01 [X(C22H18Cl2F1N1O3)] -1.1681184 1.4807213 -1.4122463 0.000002494 -0.000003001 -0.000003799 0.000000918 0.000001501 0.000000238 0.000003503 -0.000003530 -0.000006413 0.000007364 -0.000003417 0.000006539 0.000007075 0.000003956 -0.000009758 0.000011703 0.000004848 -0.000002615 0.000004108 0.000002996 0.000018894 -0.000003629 0.000008374 0.000010974 -0.000011188 -0.000002096 -0.000010588 0.000016027 -0.000003773 0.000004988 -0.000003938 -0.000003682 0.000002606 -0.000001810 -0.000002311 -0.000000220 0.000004867 0.000001583 0.000002971 -0.000014386 0.000000857 0.000010304 -0.000006981 -0.000007094 0.000006788 -0.000014642 0.000011013 0.000007017 -0.000002126 -0.000007944 0.000001968 -0.000006196 -0.000007773 -0.000021419 0.000001753 0.000015121 -0.000000917 0.000004819 -0.000000204 -0.000005751 0.000000901 -0.000017159 -0.000003114 0.000002847 0.000010435 -0.000000851 -0.000005811 0.000008789 0.000002863 -0.000006734 0.000003406 -0.000007806 0.000000879 0.000003062 -0.000003149 0.000002111 -0.000004956 0.000000157 -0.000001246 -0.000000143 -0.000001903 0.000003878 -0.000000013 -0.000002407 0.000002871 -0.000002764 -0.000003632 0.000003877 -0.000002219 0.000003663 -0.000004472 0.000001233 0.000001985 -0.000002308 0.000000302 0.000004426 -0.000001484 -0.000002908 0.000005068 0.000000658 -0.000002556 0.000002894 -0.000002541 -0.000001083 0.000004859 -0.000002491 0.000000264 0.000003923 -0.000002781 -0.000000676 0.000003987 0.000000615 -0.000002140 -0.000000220 -0.000000042 0.000001985 -0.000002098 -0.000000642 -0.000000320 -0.000000822 -0.000000286 0.000005065 0.000000896 0.000000386 0.000002129 -0.000002955 0.000002102 0.000000600 -0.000002003 0.000004565 -0.000001757 -0.000004550 0.000000708 0.000000476 -0.000003093 0.000002593 -0.000003927 -0.000004112 0.000002113 -0.000000551 -0.000003816 416.1447031999997 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;2;3;7;4;5;6;30;31;32;33;34;35;36;37;38;39;40;41;42;43;44;45;46;47/rA:47nCl0Cl0F0O0O0O0N0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:-2.7307,-.6087,1.826;-4.7834,-1.0834,-.2126;4.2204,-2.9992,-1.0226;.9366,2.2176,.2363;1.2481,2.4942,-1.9794;1.9534,-2.8055,.4205;2.8174,2.6529,2.9356;-1.8996,3.3069,-.3264;-1.8796,1.8198,-.0445;-.9787,2.3958,-1.1458;-1.3279,4.2302,.7325;-3.0588,3.9228,-1.0883;-2.9855,.9254,-.4187;.4919,2.3823,-1.0366;-3.4203,-.1082,.3;2.3674,2.1191,.4104;2.8825,.7405,.0361;2.6013,2.4229,1.8279;2.1563,-.3873,.416;4.0667,.6106,-.688;2.5998,-1.6521,.0483;4.5312,-.6555,-1.0359;3.7898,-1.7645,-.6699;.5993,-2.9652,.141;-.0388,-2.3169,-.915;-.082,-3.8735,.9475;-1.3858,-2.5885,-1.1559;-1.4235,-4.1412,.6867;-2.0806,-3.501,-.3642;-1.3482,1.55,.8587;-1.2944,2.2362,-2.1694;-.911,5.1297,.268;-2.1296,4.5428,1.4088;-.5481,3.7578,1.3282;-3.8968,4.1083,-.4088;-2.7521,4.8824,-1.5153;-3.4158,3.2943,-1.9056;-3.5051,1.118,-1.3504;2.8695,2.8839,-.187;1.2349,-.295,.978;4.6221,1.4905,-.99;5.4447,-.7906,-1.6019;.5011,-1.617,-1.5403;.4451,-4.3592,1.7603;-1.8888,-2.0819,-1.9719;-1.9568,-4.8475,1.3134;-3.127,-3.7029,-.5563; Gaussian 16 GINC-DEPAZ14 APULGAR Optimization Cyfluthrin_beta CONF27 octanol EM64L-G16RevC.01 135 C1[X(C22H18Cl2FNO3)] 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 0 416.1447031999997 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;2;3;7;4;5;6;30;31;32;33;34;35;36;37;38;39;40;41;42;43;44;45;46;47/rA:47nCl0Cl0F0O0O0O0N0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:-2.7307,-.6087,1.826;-4.7834,-1.0834,-.2126;4.2204,-2.9992,-1.0226;.9366,2.2176,.2363;1.2481,2.4942,-1.9794;1.9534,-2.8055,.4205;2.8174,2.6529,2.9356;-1.8996,3.3069,-.3264;-1.8796,1.8198,-.0445;-.9787,2.3958,-1.1458;-1.3279,4.2302,.7325;-3.0588,3.9228,-1.0883;-2.9855,.9254,-.4187;.4919,2.3823,-1.0366;-3.4203,-.1082,.3;2.3674,2.1191,.4104;2.8825,.7405,.0361;2.6013,2.4229,1.8279;2.1563,-.3873,.416;4.0667,.6106,-.688;2.5998,-1.6521,.0483;4.5312,-.6555,-1.0359;3.7898,-1.7645,-.6699;.5993,-2.9652,.141;-.0388,-2.3169,-.915;-.082,-3.8735,.9475;-1.3858,-2.5885,-1.1559;-1.4235,-4.1412,.6867;-2.0806,-3.501,-.3642;-1.3482,1.55,.8587;-1.2944,2.2362,-2.1694;-.911,5.1297,.268;-2.1296,4.5428,1.4088;-.5481,3.7578,1.3282;-3.8968,4.1083,-.4088;-2.7521,4.8824,-1.5153;-3.4158,3.2943,-1.9056;-3.5051,1.118,-1.3504;2.8695,2.8839,-.187;1.2349,-.295,.978;4.6221,1.4905,-.99;5.4447,-.7906,-1.6019;.5011,-1.617,-1.5403;.4451,-4.3592,1.7603;-1.8888,-2.0819,-1.9719;-1.9568,-4.8475,1.3134;-3.127,-3.7029,-.5563; Optimization Cyfluthrin_beta CONF27 octanol Redundant internal coordinates found in file. (old form). 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 35 35 19 16 16 16 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 34.9688527 34.9688527 18.9984033 15.9949146 15.9949146 15.9949146 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 3 3 1 0 0 0 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 14.2400000 14.2400000 6.7500000 5.6000000 5.6000000 5.6000000 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 (Enter /usr/local/gaussian/gaussian16/g16/l101.exe) Structure from the checkpoint file: "/home/proyectos/herbicida/NuevosCalculos/Insecticides_unique/G3_insecticides/Cyfluthrin_beta/neutral/gaussian/octanol/CONF27/opt-b3lyp-pople.chk" Berny optimization. R1 R2 R3 R4 R5 R6 R7 R8 R9 R10 R11 R12 R13 R14 R15 R16 R17 R18 R19 R20 R21 R22 R23 R24 R25 R26 R27 R28 R29 R30 R31 R32 R33 R34 R35 R36 R37 R38 R39 R40 R41 R42 R43 R44 R45 R46 R47 R48 R49 1 2 3 4 4 5 6 6 7 8 8 8 8 9 9 9 10 10 11 11 11 12 12 12 13 13 16 16 16 17 17 19 19 20 20 21 22 22 24 24 25 25 26 26 27 27 28 28 29 15 15 23 14 16 14 21 24 18 9 10 11 12 10 13 30 14 31 32 33 34 35 36 37 15 38 17 18 39 19 20 21 40 22 41 23 23 42 25 26 27 43 28 44 29 45 29 46 47 1.7478 1.7527 1.3544 1.3583 1.4447 1.2138 1.3735 1.3919 1.1518 1.5137 1.5328 1.5168 1.5177 1.535 1.4707 1.0821 1.4747 1.083 1.0949 1.0944 1.0891 1.0947 1.0942 1.091 1.3319 1.084 1.5185 1.4684 1.0927 1.3941 1.3941 1.3899 1.0832 1.3927 1.0835 1.3945 1.3833 1.0831 1.3937 1.3927 1.3951 1.0828 1.3925 1.0838 1.3937 1.0841 1.3951 1.0844 1.0829 calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|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 14 21 9 9 10 10 11 8 8 10 10 13 8 8 9 9 14 8 8 8 32 32 33 8 8 8 35 35 36 9 9 15 4 4 5 1 1 2 4 4 4 17 17 18 16 16 19 17 17 21 17 17 22 6 6 19 20 20 23 3 3 21 6 6 25 24 24 27 24 24 28 25 25 29 26 26 29 27 27 28 4 6 8 8 8 8 8 9 9 9 9 9 10 10 10 10 10 11 11 11 11 11 11 12 12 12 12 12 12 13 13 13 14 14 14 15 15 15 16 16 16 16 16 16 17 17 17 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 29 29 29 16 24 11 12 11 12 12 13 30 13 30 30 14 31 14 31 31 32 33 34 33 34 34 35 36 37 36 37 37 15 38 38 5 10 10 2 13 13 17 18 39 18 39 39 19 20 20 21 40 40 22 41 41 19 23 23 23 42 42 21 22 22 25 26 26 27 43 43 28 44 44 29 45 45 29 46 46 28 47 47 116.4491 119.9851 117.5831 120.1509 120.5667 115.5752 113.0354 122.6909 114.0108 119.1394 113.8408 115.4689 124.4007 114.6907 121.9176 116.8534 111.0591 110.3349 109.2197 112.8105 107.8476 108.4026 108.0811 109.989 109.7406 113.0937 107.9433 108.1888 107.7291 125.4577 118.1053 116.4341 122.351 113.3882 124.258 113.7553 124.3729 121.8645 111.6011 105.0665 109.9652 111.8258 110.1727 108.042 119.3784 120.0496 120.5708 119.8617 121.037 119.0878 119.8527 120.2998 119.8446 122.8437 118.2601 118.8088 118.9456 121.6868 119.3551 118.6123 119.4485 121.9378 122.9685 115.7509 121.2091 118.8387 120.6613 120.4997 119.2226 119.254 121.5227 120.7134 119.1426 120.1437 120.4374 119.3936 120.1674 119.5754 120.2024 120.2182 calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically A81 A82 7 7 18 18 16 16 1 1 -1 -2 181.245 calculate D2E/DX2 analytically|calculate D2E/DX2 analytically 181.1805 D1 D2 D3 D4 D5 D6 D7 D8 D9 D10 D11 D12 D13 D14 D15 D16 D17 D18 D19 D20 D21 D22 D23 D24 D25 D26 D27 D28 D29 D30 D31 D32 D33 D34 D35 D36 D37 D38 D39 D40 D41 D42 D43 D44 D45 D46 D47 D48 D49 D50 D51 D52 D53 D54 D55 D56 D57 D58 D59 D60 D61 D62 D63 D64 D65 D66 D67 D68 D69 D70 D71 D72 D73 D74 D75 D76 D77 D78 D79 D80 D81 D82 D83 D84 D85 D86 D87 D88 D89 D90 D91 D92 D93 D94 D95 D96 D97 D98 D99 D100 D101 D102 D103 D104 D105 D106 D107 D108 D109 16 16 14 14 14 24 24 21 21 11 11 12 12 11 11 12 12 9 9 9 10 10 10 12 12 12 9 9 9 10 10 10 11 11 11 13 13 30 30 8 8 10 10 30 30 8 8 9 9 31 31 9 9 38 38 4 4 18 18 39 39 16 16 20 20 16 16 19 19 17 17 40 40 17 17 41 41 6 6 19 19 20 20 42 42 6 6 26 26 6 6 25 25 24 24 43 43 24 24 44 44 25 25 45 45 26 26 46 46 4 4 4 4 4 6 6 6 6 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 9 9 9 9 9 9 9 9 9 9 10 10 10 10 10 10 13 13 13 13 16 16 16 16 16 16 17 17 17 17 17 17 17 17 19 19 19 19 20 20 20 20 21 21 21 21 22 22 22 22 24 24 24 24 24 24 24 24 25 25 25 25 26 26 26 26 27 27 27 27 28 28 28 28 14 14 16 16 16 21 21 24 24 9 9 9 9 10 10 10 10 11 11 11 11 11 11 11 11 11 12 12 12 12 12 12 12 12 12 10 10 10 10 13 13 13 13 13 13 14 14 14 14 14 14 15 15 15 15 17 17 17 17 17 17 19 19 19 19 20 20 20 20 21 21 21 21 22 22 22 22 23 23 23 23 23 23 23 23 25 25 25 25 26 26 26 26 27 27 27 27 28 28 28 28 29 29 29 29 29 29 29 29 5 10 17 18 39 19 23 25 26 13 30 13 30 14 31 14 31 32 33 34 32 33 34 32 33 34 35 36 37 35 36 37 35 36 37 14 31 14 31 15 38 15 38 15 38 4 5 4 5 4 5 1 2 1 2 19 20 19 20 19 20 21 40 21 40 22 41 22 41 6 23 6 23 23 42 23 42 3 22 3 22 3 21 3 21 27 43 27 43 28 44 28 44 29 45 29 45 29 46 29 46 28 47 28 47 27 47 27 47 -2.7798 176.6312 -77.9489 160.6724 44.6297 54.3637 -129.078 26.1373 -156.9079 141.182 -6.5154 -3.307 -151.0043 -3.2205 -145.7933 138.6368 -3.9359 150.0589 -91.5589 28.6525 79.7241 -161.8937 -41.6824 -63.0199 55.3623 175.5736 82.1768 -159.2145 -38.901 151.4954 -89.8958 30.4177 -63.8056 54.8031 175.1166 -133.0063 9.1668 8.6793 150.8523 -142.6895 36.6734 145.6682 -34.9689 4.5795 -176.0575 52.936 -127.6661 -19.2378 160.1602 -163.3425 16.0555 -0.9627 177.9909 179.6648 -1.3815 -41.324 138.2736 76.0462 -104.3562 -163.7837 15.8139 178.3019 -0.3504 -1.2936 -179.9459 -179.6231 -0.2393 -0.0303 179.3534 178.1412 1.6009 -3.1803 -179.7205 1.0052 179.7068 -178.3814 0.3202 3.102 -177.3236 179.8021 -0.6235 178.8871 -0.6838 0.1547 -179.4162 176.9797 -2.8217 0.1868 -179.6147 -176.6887 3.0077 0.3242 -179.9794 -0.6049 179.5888 179.1969 -0.6094 -0.4259 -179.9565 179.8848 0.3542 0.5068 179.7747 -179.6888 -0.4209 0.0163 -179.2515 179.5433 0.2755 calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|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. 0.00035 0.00150 0.00179 0.00255 0.00370 0.00520 0.01191 0.01616 0.01651 0.01732 0.01772 0.01786 0.01808 0.01879 0.01885 0.01966 0.02014 0.02119 0.02201 0.02241 0.02320 0.02416 0.02511 0.02560 0.02710 0.02787 0.02840 0.02917 0.02953 0.03065 0.03144 0.03284 0.03558 0.04285 0.04415 0.04509 0.04574 0.04696 0.05354 0.05984 0.06185 0.06455 0.07261 0.07637 0.07912 0.08089 0.10007 0.10499 0.10678 0.10681 0.11116 0.11235 0.11522 0.11727 0.11803 0.12092 0.12116 0.12226 0.12356 0.12390 0.12564 0.13215 0.13885 0.14355 0.14822 0.15854 0.16147 0.16707 0.17041 0.17732 0.18126 0.18226 0.18747 0.18897 0.19177 0.19372 0.19416 0.19856 0.20110 0.21082 0.21945 0.21974 0.23065 0.24325 0.25197 0.26052 0.26384 0.26763 0.27911 0.29716 0.29946 0.30275 0.30940 0.31526 0.32132 0.32712 0.32917 0.33010 0.33053 0.33509 0.33610 0.33775 0.34357 0.34799 0.35454 0.35488 0.35630 0.35665 0.35754 0.35839 0.35973 0.35982 0.36029 0.36086 0.36207 0.36240 0.36518 0.37119 0.39749 0.41236 0.42329 0.42811 0.44037 0.44659 0.46189 0.46583 0.46809 0.47307 0.49071 0.51471 0.52715 0.62097 0.81726 1.25374 1.81467 Angle between quadratic step and forces= 83.55 degrees. 1 2 0.00043094 0.00000051 0.00000005 0.00000000 R1 R2 R3 R4 R5 R6 R7 R8 R9 R10 R11 R12 R13 R14 R15 R16 R17 R18 R19 R20 R21 R22 R23 R24 R25 R26 R27 R28 R29 R30 R31 R32 R33 R34 R35 R36 R37 R38 R39 R40 R41 R42 R43 R44 R45 R46 R47 R48 R49 A1 A2 A3 A4 A5 A6 A7 A8 A9 A10 A11 A12 A13 A14 A15 A16 A17 A18 A19 A20 A21 A22 A23 A24 A25 A26 A27 A28 A29 A30 A31 A32 A33 A34 A35 A36 A37 A38 A39 A40 A41 A42 A43 A44 A45 A46 A47 A48 A49 A50 A51 A52 A53 A54 A55 A56 A57 A58 A59 A60 A61 A62 A63 A64 A65 A66 A67 A68 A69 A70 A71 A72 A73 A74 A75 A76 A77 A78 A79 A80 A81 A82 D1 D2 D3 D4 D5 D6 D7 D8 D9 D10 D11 D12 D13 D14 D15 D16 D17 D18 D19 D20 D21 D22 D23 D24 D25 D26 D27 D28 D29 D30 D31 D32 D33 D34 D35 D36 D37 D38 D39 D40 D41 D42 D43 D44 D45 D46 D47 D48 D49 D50 D51 D52 D53 D54 D55 D56 D57 D58 D59 D60 D61 D62 D63 D64 D65 D66 D67 D68 D69 D70 D71 D72 D73 D74 D75 D76 D77 D78 D79 D80 D81 D82 D83 D84 D85 D86 D87 D88 D89 D90 D91 D92 D93 D94 D95 D96 D97 D98 D99 D100 D101 D102 D103 D104 D105 D106 D107 D108 D109 3.30282 3.31210 2.55939 2.56690 2.73018 2.29371 2.59559 2.63031 2.17658 2.86048 2.89662 2.86629 2.86804 2.90081 2.77919 2.04487 2.78684 2.04658 2.06902 2.06810 2.05813 2.06867 2.06766 2.06175 2.51686 2.04842 2.86951 2.77497 2.06495 2.63443 2.63448 2.62649 2.04702 2.63185 2.04750 2.63522 2.61406 2.04671 2.63368 2.63185 2.63631 2.04620 2.63148 2.04801 2.63363 2.04874 2.63633 2.04921 2.04635 2.03242 2.09414 2.05221 2.09703 2.10429 2.01717 1.97284 2.14136 1.98986 2.07938 1.98690 2.01531 2.17120 2.00173 2.12786 2.03948 1.93835 1.92571 1.90624 1.96891 1.88230 1.89198 1.88637 1.91967 1.91533 1.97386 1.88397 1.88825 1.88023 2.18965 2.06133 2.03216 2.13543 1.97900 2.16871 1.98540 2.17072 2.12694 1.94781 1.83376 1.91925 1.95173 1.92288 1.88569 2.08355 2.09526 2.10436 2.09198 2.11249 2.07847 2.09182 2.09963 2.09168 2.14403 2.06403 2.07360 2.07599 2.12384 2.08314 2.07018 2.08477 2.12822 2.14621 2.02023 2.11550 2.07413 2.10594 2.10312 2.08083 2.08138 2.12097 2.10685 2.07943 2.09690 2.10203 2.08381 2.09732 2.08698 2.09793 2.09820 3.16332 3.16220 -0.04852 3.08280 -1.36047 2.80426 0.77894 0.94883 -2.25284 0.45618 -2.73856 2.46409 -0.11371 -0.05772 -2.63552 -0.05621 -2.54457 2.41967 -0.06870 2.61902 -1.59800 0.50008 1.39145 -2.82558 -0.72749 -1.09991 0.96625 3.06434 1.43426 -2.77882 -0.67895 2.64409 -1.56898 0.53089 -1.11362 0.95649 3.05636 -2.32140 0.15999 0.15148 2.63287 -2.49040 0.64007 2.54239 -0.61032 0.07993 -3.07278 0.92391 -2.22819 -0.33576 2.79532 -2.85086 0.28022 -0.01680 3.10653 3.13574 -0.02411 -0.72124 2.41333 1.32726 -1.82136 -2.85857 0.27600 3.11195 -0.00612 -0.02258 -3.14065 -3.13501 -0.00418 -0.00053 3.13031 3.10915 0.02794 -0.05551 -3.13672 0.01754 3.13648 -3.11334 0.00559 0.05414 -3.09488 3.13814 -0.01088 3.12217 -0.01193 0.00270 -3.13140 3.08888 -0.04925 0.00326 -3.13487 -3.08380 0.05249 0.00566 -3.14123 -0.01056 3.13442 3.12758 -0.01064 -0.00743 -3.14083 3.13958 0.00618 0.00885 3.13766 -3.13616 -0.00735 0.00028 -3.12853 3.13362 0.00481 -0.00000 -0.00000 0.00001 0.00000 -0.00001 0.00001 -0.00000 0.00001 0.00002 0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00001 0.00000 0.00000 0.00000 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 -0.00000 0.00000 0.00000 0.00000 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 -0.00000 -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 0.00002 -0.00000 -0.00001 -0.00001 -0.00001 0.00000 0.00001 -0.00001 0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 0.00001 -0.00001 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00001 -0.00001 0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 0.00001 0.00001 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00001 -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 -0.00001 -0.00001 0.00003 0.00001 -0.00006 0.00002 -0.00005 0.00003 0.00002 0.00002 0.00005 -0.00002 0.00000 -0.00003 -0.00001 0.00002 -0.00004 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 0.00001 0.00000 0.00004 -0.00002 0.00001 -0.00002 0.00001 0.00004 -0.00000 -0.00001 0.00000 -0.00000 0.00001 0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00001 0.00007 -0.00001 -0.00000 0.00001 -0.00003 0.00003 -0.00000 -0.00003 0.00005 -0.00002 -0.00000 -0.00002 -0.00005 0.00005 -0.00003 0.00002 0.00001 0.00001 -0.00001 0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00001 0.00001 0.00001 -0.00001 -0.00000 -0.00000 0.00000 0.00000 0.00002 -0.00001 -0.00001 0.00001 0.00003 0.00001 -0.00004 -0.00003 0.00001 -0.00001 -0.00001 0.00003 0.00000 -0.00002 0.00001 -0.00003 -0.00000 0.00003 0.00008 -0.00005 -0.00004 0.00000 0.00002 -0.00003 -0.00001 -0.00002 0.00003 -0.00001 -0.00001 0.00002 -0.00001 -0.00002 0.00003 -0.00001 -0.00001 0.00002 -0.00001 0.00001 -0.00000 -0.00001 0.00001 -0.00000 0.00001 -0.00002 0.00000 0.00004 0.00000 0.00014 0.00017 -0.00022 -0.00021 -0.00025 -0.00087 -0.00091 0.00060 0.00051 -0.00008 -0.00002 -0.00012 -0.00005 -0.00011 -0.00004 -0.00008 -0.00001 0.00031 0.00032 0.00031 0.00034 0.00035 0.00035 0.00033 0.00034 0.00034 0.00025 0.00025 0.00026 0.00021 0.00021 0.00022 0.00023 0.00023 0.00024 -0.00005 0.00004 -0.00002 0.00007 0.00047 0.00043 0.00042 0.00038 0.00040 0.00035 0.00010 0.00013 0.00008 0.00011 0.00001 0.00004 -0.00012 -0.00005 -0.00008 -0.00001 0.00036 0.00041 0.00038 0.00043 0.00036 0.00041 0.00003 0.00003 -0.00002 -0.00002 -0.00005 -0.00001 0.00000 0.00004 -0.00003 0.00001 -0.00002 0.00002 0.00001 -0.00001 -0.00002 -0.00004 0.00004 0.00003 0.00000 -0.00000 -0.00001 -0.00001 0.00000 0.00001 -0.00009 -0.00005 0.00001 0.00005 0.00008 0.00005 -0.00001 -0.00004 0.00000 0.00004 -0.00004 -0.00001 0.00001 -0.00003 0.00004 0.00000 -0.00001 0.00000 -0.00004 -0.00003 0.00000 -0.00001 0.00004 0.00003 -0.00001 -0.00001 0.00003 0.00001 -0.00006 0.00002 -0.00005 0.00003 0.00002 0.00002 0.00005 -0.00002 0.00000 -0.00003 -0.00001 0.00002 -0.00004 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 0.00001 0.00000 0.00004 -0.00002 0.00001 -0.00002 0.00001 0.00004 -0.00000 -0.00001 0.00000 -0.00000 0.00001 0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00001 0.00007 -0.00001 -0.00000 0.00001 -0.00003 0.00003 -0.00000 -0.00003 0.00005 -0.00002 -0.00000 -0.00002 -0.00005 0.00005 -0.00003 0.00002 0.00001 0.00001 -0.00001 0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00001 0.00001 0.00001 -0.00001 -0.00000 -0.00000 0.00000 0.00000 0.00002 -0.00001 -0.00001 0.00001 0.00003 0.00001 -0.00004 -0.00003 0.00001 -0.00001 -0.00001 0.00003 0.00000 -0.00002 0.00001 -0.00003 -0.00000 0.00003 0.00008 -0.00005 -0.00004 0.00000 0.00002 -0.00003 -0.00001 -0.00002 0.00003 -0.00001 -0.00001 0.00002 -0.00001 -0.00002 0.00003 -0.00001 -0.00001 0.00002 -0.00001 0.00001 -0.00000 -0.00001 0.00001 -0.00000 0.00001 -0.00002 0.00000 0.00004 0.00000 0.00014 0.00017 -0.00022 -0.00021 -0.00025 -0.00087 -0.00091 0.00060 0.00051 -0.00008 -0.00002 -0.00012 -0.00005 -0.00011 -0.00004 -0.00008 -0.00001 0.00031 0.00032 0.00031 0.00034 0.00035 0.00035 0.00033 0.00034 0.00034 0.00025 0.00025 0.00026 0.00021 0.00021 0.00022 0.00023 0.00023 0.00024 -0.00005 0.00004 -0.00002 0.00007 0.00047 0.00043 0.00042 0.00038 0.00040 0.00035 0.00010 0.00013 0.00008 0.00011 0.00001 0.00004 -0.00012 -0.00005 -0.00008 -0.00001 0.00036 0.00041 0.00038 0.00043 0.00036 0.00041 0.00003 0.00003 -0.00002 -0.00002 -0.00005 -0.00001 0.00000 0.00004 -0.00003 0.00001 -0.00002 0.00002 0.00001 -0.00001 -0.00002 -0.00004 0.00004 0.00003 0.00000 -0.00000 -0.00001 -0.00001 0.00000 0.00001 -0.00009 -0.00005 0.00001 0.00005 0.00008 0.00005 -0.00001 -0.00004 0.00000 0.00004 -0.00004 -0.00001 0.00001 -0.00003 0.00004 0.00000 -0.00001 0.00000 -0.00004 -0.00003 0.00000 -0.00001 0.00004 0.00003 3.30281 3.31210 2.55942 2.56691 2.73012 2.29373 2.59554 2.63034 2.17660 2.86050 2.89667 2.86628 2.86804 2.90078 2.77918 2.04489 2.78680 2.04658 2.06902 2.06810 2.05813 2.06867 2.06766 2.06175 2.51687 2.04842 2.86955 2.77495 2.06496 2.63441 2.63449 2.62653 2.04702 2.63184 2.04750 2.63522 2.61407 2.04672 2.63367 2.63185 2.63631 2.04620 2.63148 2.04801 2.63363 2.04874 2.63633 2.04921 2.04635 2.03241 2.09420 2.05220 2.09702 2.10430 2.01714 1.97287 2.14136 1.98983 2.07942 1.98687 2.01531 2.17118 2.00168 2.12792 2.03945 1.93837 1.92571 1.90625 1.96891 1.88230 1.89198 1.88637 1.91967 1.91534 1.97386 1.88396 1.88824 1.88023 2.18967 2.06132 2.03215 2.13542 1.97900 2.16871 1.98542 2.17070 2.12693 1.94782 1.83379 1.91927 1.95169 1.92285 1.88570 2.08353 2.09525 2.10439 2.09198 2.11248 2.07849 2.09180 2.09963 2.09171 2.14411 2.06398 2.07356 2.07599 2.12386 2.08311 2.07016 2.08475 2.12825 2.14619 2.02022 2.11552 2.07412 2.10592 2.10314 2.08081 2.08137 2.12099 2.10684 2.07944 2.09690 2.10202 2.08382 2.09732 2.08700 2.09791 2.09821 3.16336 3.16220 -0.04837 3.08297 -1.36069 2.80406 0.77869 0.94795 -2.25375 0.45679 -2.73805 2.46401 -0.11373 -0.05784 -2.63557 -0.05632 -2.54461 2.41959 -0.06870 2.61933 -1.59768 0.50039 1.39179 -2.82523 -0.72715 -1.09957 0.96659 3.06467 1.43451 -2.77857 -0.67869 2.64430 -1.56877 0.53111 -1.11338 0.95672 3.05660 -2.32145 0.16003 0.15146 2.63294 -2.48993 0.64050 2.54281 -0.60994 0.08032 -3.07243 0.92401 -2.22806 -0.33568 2.79543 -2.85085 0.28026 -0.01692 3.10648 3.13566 -0.02412 -0.72088 2.41374 1.32764 -1.82093 -2.85821 0.27641 3.11199 -0.00609 -0.02259 -3.14067 -3.13506 -0.00419 -0.00053 3.13034 3.10912 0.02796 -0.05553 -3.13670 0.01755 3.13647 -3.11337 0.00555 0.05418 -3.09485 3.13814 -0.01089 3.12216 -0.01194 0.00270 -3.13140 3.08879 -0.04930 0.00327 -3.13482 -3.08372 0.05255 0.00565 -3.14128 -0.01056 3.13445 3.12753 -0.01064 -0.00743 -3.14086 3.13962 0.00618 0.00884 3.13767 -3.13620 -0.00738 0.00029 -3.12854 3.13366 0.00484 |Maximum Force|RMS Force|Maximum Displacement|RMS Displacement| 0.000019 0.000004 0.001813 0.000431 0.000450 0.000300 0.001800 0.001200 YES YES NO YES -8.163798e-09 6-311+G(d,p) (5D, 7F) 0.10000e-02 0.10000e-05 F 791 A 762 A 762 1222 791 112 112 3102.3487744702 47 47 47 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 -0.0595549824 PCM SMD-Coulomb. Total charges None Matrix inversion n-Octanol 9.862900 2.043470 0.000000 2.931662 0.000000 7.883306 9.240954 0.000000 4.895310 6.619427 6.291536 0.000000 6.319815 7.231945 6.318840 2.254517 0.000000 5.361190 6.982244 2.694275 5.128293 5.860372 0.000000 6.530756 9.035688 7.041491 3.318619 5.161881 6.071778 0.000000 4.544770 5.253909 8.815103 3.089878 3.647085 7.263942 5.772254 0.000000 3.181263 4.109609 7.835136 2.857988 3.739189 6.025074 5.624676 1.513700 0.000000 4.574711 5.239452 7.493461 2.368607 2.379779 6.172858 5.579822 1.532827 1.535041 0.000000 5.155418 6.408413 9.280554 3.069988 4.123579 7.769533 4.952324 1.516777 2.591931 2.648555 0.000000 5.397662 5.366840 10.045099 4.541482 4.624291 8.524547 7.234219 1.517701 2.627264 2.580996 2.530924 0.000000 2.730758 2.703785 8.227466 4.181073 4.777049 6.246304 6.921646 2.618957 1.470682 2.591878 3.872263 3.072121 0.000000 5.246502 6.365513 6.546972 1.358343 1.213781 5.583250 4.610792 2.660576 2.631518 1.474731 3.139428 3.870779 3.820548 0.000000 1.747778 1.752690 8.275706 4.939202 5.810527 6.013901 7.312929 3.790397 2.491851 3.784381 4.835943 4.278594 1.331865 4.826430 0.000000 5.952764 7.859939 5.628841 1.444749 2.665448 4.941939 2.619964 4.490167 4.281797 3.700659 4.268061 5.911262 5.546680 2.383395 6.202453 0.000000 6.044145 7.883827 4.110533 2.451197 3.131919 3.685781 3.473990 5.439328 4.883525 4.364134 5.512756 6.832970 5.888440 3.092101 6.365125 1.518482 0.000000 6.133612 8.425694 6.336159 2.312268 4.041222 5.453189 1.151796 5.067619 4.893687 4.654027 4.461500 6.541411 6.204994 3.557573 6.708259 1.468449 2.473895 0.000000 5.091174 7.002863 3.626616 2.881902 3.855618 2.426739 4.003496 5.536118 4.622972 4.473606 5.793198 6.930835 5.371946 3.542737 5.584810 2.515200 1.394081 3.176271 0.000000 7.349204 9.023288 3.628542 3.637879 3.627643 4.167024 4.343097 6.557237 6.101993 5.371421 6.649890 7.867802 7.064263 4.004913 7.585981 2.523769 1.394105 3.429545 2.421555 0.000000 5.715170 7.409729 2.363861 4.216213 4.809477 1.373527 5.188155 6.706501 5.668161 5.533316 7.106126 8.024396 6.169041 4.679449 6.220045 3.795647 2.409297 4.446693 1.389877 2.795294 0.000000 7.805592 9.360716 2.364324 4.774304 4.646405 3.659026 5.445662 7.586748 6.943186 6.299286 7.831089 8.863970 7.705818 5.054086 8.081456 3.804147 2.411664 4.626266 2.796404 1.392715 2.428794 0.000000 7.076901 8.612425 1.354371 4.981898 5.129497 2.375916 5.784374 7.629333 6.736518 6.346137 8.005909 8.911964 7.294035 5.311018 7.461228 4.274619 2.756232 5.018610 2.396738 2.391233 1.394498 1.383302 0.000000 4.413683 5.713089 3.803641 5.194599 5.892542 1.391902 6.655273 6.767651 5.392100 5.734609 7.472414 7.895291 5.319750 5.476672 4.934008 5.389645 4.353853 5.990457 3.024182 5.049360 2.394770 4.709542 3.504123 0.000000 4.204423 4.952449 4.314802 4.778986 5.092782 2.447654 6.905356 5.952827 4.610715 4.811092 6.873190 6.934259 4.409273 4.730702 4.217740 5.217699 4.334304 6.079455 3.211486 5.047413 2.886549 4.864111 3.876005 1.393682 0.000000 4.294853 5.588682 4.812121 6.216474 7.133284 2.358275 7.413017 7.515555 6.052133 6.670065 8.201694 8.589908 5.772816 6.587957 5.073531 6.496058 5.559473 6.900750 4.176893 6.324028 3.596563 5.964164 4.696290 1.392715 2.427656 0.000000 3.823587 3.833949 5.622774 5.516354 5.783579 3.698980 7.866349 5.975547 4.572949 5.000902 7.075567 6.723066 3.930594 5.314994 3.522886 6.221005 5.542672 7.065017 4.456787 6.338935 4.267566 6.225873 5.263280 2.400880 1.395076 2.788416 0.000000 3.935168 4.631264 6.006579 6.797619 7.633822 3.641220 8.318816 7.531758 6.022997 6.803606 8.372103 8.417427 5.415959 7.013961 4.516927 7.323835 6.541854 7.783933 5.194283 7.389935 4.773895 7.111669 5.887930 2.402579 2.794806 1.392517 2.409936 0.000000 3.685808 3.629495 6.355140 6.493617 7.045047 4.168103 8.529395 6.810407 5.334204 6.049621 7.844822 7.522883 4.518287 6.456329 3.707760 7.209069 6.540895 7.862538 5.315652 7.402650 5.049283 7.229404 6.129525 2.779234 2.423746 2.419436 1.393655 1.395085 0.000000 2.739827 4.459027 7.432622 2.460391 3.960752 5.482974 4.783554 2.189803 1.082099 2.206827 2.683275 3.513834 2.168534 2.769680 2.712023 3.785618 4.385287 4.159346 4.028736 5.709266 5.147540 6.559022 6.302534 4.969317 4.451228 5.569983 4.602917 5.694301 5.248300 0.000000 5.110699 5.198294 7.690066 3.281005 2.562640 6.532550 6.568228 2.215701 2.243019 1.083003 3.521093 2.669515 2.764539 2.120267 4.014127 4.480838 4.954548 5.584763 5.047199 5.794631 5.933139 6.601780 6.641011 5.998137 4.886806 6.965100 4.930810 6.988966 6.065677 3.105360 0.000000 6.218366 7.336869 9.699264 3.448880 4.081423 8.437733 5.210706 2.157212 3.462880 3.078561 1.094877 2.812362 4.738296 3.349319 5.808019 4.453316 5.805944 4.700611 6.314034 6.790654 7.639831 8.048911 8.396847 8.235509 7.590279 9.066748 7.862781 9.294538 8.732556 3.654408 3.802675 0.000000 5.203176 6.428490 10.154564 4.022740 5.204325 8.464312 5.511380 2.142704 3.096632 3.529842 1.094390 2.735566 4.142204 4.185619 4.952435 5.205196 6.439101 5.200999 6.607546 7.632287 7.911677 8.795651 8.896169 8.088428 7.538340 8.673992 7.614822 8.742536 8.237038 3.141645 4.338344 1.769441 0.000000 4.906915 6.614308 8.597791 2.401815 3.970268 7.082258 3.889890 2.183493 2.722688 2.856743 1.089113 3.488569 4.124923 2.926705 4.924668 3.468152 4.747880 3.456914 5.032641 5.938517 6.388636 7.131951 7.301080 6.922710 6.495640 7.654952 6.866413 7.973235 7.609438 2.394808 3.886554 1.771387 1.767402 0.000000 5.348328 5.270570 10.806578 5.229952 5.616213 9.094705 7.640920 2.153518 3.072327 3.462793 2.813589 1.094693 3.310864 4.757481 4.302140 6.623321 7.582770 7.075896 7.584901 8.702193 8.694689 9.701393 9.676879 8.399456 7.511607 8.949920 7.191004 8.681774 7.823240 3.827147 3.657442 3.227427 2.572050 3.788619 0.000000 6.427769 6.435339 10.534591 4.876020 4.681929 9.219132 7.469981 2.149973 3.507699 3.076430 2.739726 1.094160 4.112724 4.123467 5.352287 6.128113 7.163132 6.773820 7.455979 8.088755 8.589973 9.162065 9.364415 8.692433 7.717006 9.479404 7.603250 9.382941 8.488648 4.325701 3.091125 2.575102 3.008842 3.769309 1.770182 0.000000 5.443146 4.888925 9.934747 4.968925 4.732603 8.452629 7.918423 2.189234 2.828068 2.706283 3.492054 1.091033 2.829831 4.105723 4.054842 6.339598 7.068260 7.134672 7.070531 8.041866 8.029494 8.916898 8.890403 7.712995 6.623570 8.404255 6.268210 8.122653 7.094763 3.867709 2.385269 3.790412 3.768048 4.346930 1.770404 1.764817 0.000000 3.697322 2.788360 8.760207 4.843032 4.988248 6.951599 7.790965 2.901211 2.199986 2.838518 4.331733 2.852114 1.083979 4.203917 2.057734 6.211967 6.547176 7.006564 6.118598 7.617546 6.848325 8.235597 7.873187 5.978431 4.899317 6.473942 4.273997 6.011853 4.933246 3.117469 2.609260 5.044036 4.608035 4.784016 3.159450 3.842470 2.247841 0.000000 6.900233 8.620225 6.093814 2.087930 2.448127 5.794644 3.131614 4.789918 4.868991 3.995795 4.502963 6.085737 6.178225 2.574173 6.982243 1.092727 2.155052 2.084307 3.401912 2.617674 4.550160 4.001115 4.763199 6.282801 6.003090 7.460656 6.999560 8.279269 8.081043 4.545602 4.656993 4.420701 5.503573 3.839232 6.879756 6.112355 6.528930 6.716200 0.000000 4.067339 6.185394 4.497590 2.636753 4.065266 2.670120 3.876465 4.949785 3.901022 4.080581 5.206348 6.363558 4.609942 3.432041 4.708003 2.726301 2.161962 3.158626 1.083237 3.408040 2.137527 3.879595 3.376788 2.869517 3.048536 3.813182 4.084281 4.684535 4.803391 3.176585 4.765540 5.876783 5.908423 4.441523 6.902670 6.994147 6.544268 5.466718 3.759686 0.000000 8.148598 9.782275 4.507779 3.951618 3.656460 5.250404 4.474232 6.802371 6.578317 5.675598 6.773148 8.057338 7.649842 4.225594 8.300566 2.727580 2.154447 3.590773 3.403352 1.083488 3.878631 2.148371 3.374929 6.108610 6.018771 7.392891 7.263608 8.430685 8.380517 6.250261 6.078760 6.740973 7.788143 6.102899 8.930914 8.133823 8.288474 8.143635 2.378623 4.305153 0.000000 8.866775 10.326178 2.590827 5.722842 5.342620 4.509807 6.272887 8.506169 7.929977 7.184766 8.747904 9.735906 8.683968 5.909048 9.092315 4.688796 3.404718 5.493176 3.879135 2.167343 3.399781 1.083075 2.134359 5.589652 5.733202 6.822594 7.077172 7.977190 8.093703 7.594477 7.409339 8.884839 9.740529 8.073812 10.615329 9.968809 9.761464 9.154428 4.704823 4.962218 2.500897 0.000000 4.774201 5.474868 4.001428 4.248516 4.201534 2.714111 6.605358 5.610823 4.440337 4.295106 6.534547 6.600430 4.458439 4.030922 4.587004 4.609363 3.703191 5.663607 2.842369 4.289681 2.632404 4.173754 3.405121 2.157304 1.082803 3.408960 2.156862 3.877582 3.405617 4.382332 4.297254 7.126112 7.318468 6.182003 7.307585 7.268110 6.292569 4.854442 5.262968 2.937300 5.190504 5.012508 0.000000 4.914940 6.477749 4.883322 6.768960 7.848577 2.546412 7.495259 8.283791 6.844106 7.490215 8.830534 9.433091 6.666657 7.298874 5.928375 6.890987 5.909380 7.116996 4.529003 6.618822 3.860306 6.183242 4.881148 2.142287 3.400342 1.083759 3.871967 2.166037 3.410221 6.240796 7.871970 9.700815 9.273518 8.188973 9.759971 10.313042 9.323235 7.435070 7.882462 4.213470 7.696136 7.002473 4.291518 0.000000 4.159656 3.531477 6.250128 5.598633 5.548119 4.583590 8.285534 5.634427 4.351809 4.643365 6.889916 6.181088 3.557929 5.145117 3.376768 6.437292 5.896013 7.408975 4.993669 6.660702 4.940996 6.642781 5.834571 3.381493 2.143526 3.872538 1.084144 3.394909 2.152934 4.636278 4.363304 7.614511 7.441331 6.840331 6.692878 7.032435 5.589313 3.638430 7.105415 4.653159 7.491146 7.455444 2.472657 4.956036 0.000000 4.339210 4.948395 6.857882 7.710191 8.661102 4.500763 9.037704 8.317762 6.804550 7.711639 9.117937 9.159655 6.114263 7.986786 5.062586 8.249052 7.501700 8.596514 6.133238 8.371262 5.707315 8.073785 6.816299 3.383941 3.879185 2.144128 3.395067 1.084394 2.154679 6.442376 7.921278 10.086157 9.392305 8.719813 9.323951 10.163829 8.875790 6.714118 9.236844 5.569911 9.421101 8.929646 4.961962 2.491467 4.294846 0.000000 3.925074 3.118243 7.395748 7.224494 7.718253 5.250770 9.376874 7.120084 5.684861 6.492822 8.235968 7.644459 4.632458 7.096289 3.706899 8.063408 7.497257 8.719179 6.312901 8.388828 6.112951 8.256209 7.184231 3.862091 3.403944 3.400385 2.152509 2.153963 1.082882 5.723526 6.421285 9.143566 8.535047 8.115647 7.850429 8.646747 7.131962 4.900414 8.915222 5.744022 9.338514 9.113097 4.299158 4.307903 2.482840 2.485035 0.000000 C22H18Cl2FNO3 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 0 416.1447031999997 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;2;3;7;4;5;6;30;31;32;33;34;35;36;37;38;39;40;41;42;43;44;45;46;47/rA:47nCl0Cl0F0O0O0O0N0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:-2.5561,-1.1044,1.7353;-4.4304,-1.9226,-.3652;4.7908,-2.1641,-.9193;.5798,2.3568,.2688;.8979,2.7084,-1.9353;2.4868,-2.4,.4573;2.2737,3.0982,3.0246;-2.3903,2.9191,-.3717;-2.1083,1.4575,-.0968;-1.2965,2.1988,-1.1682;-2.0258,3.9198,.7083;-3.6202,3.3222,-1.1643;-3.0223,.3812,-.5081;.1484,2.4513,-1.0157;-3.2821,-.7215,.1922;1.9992,2.5178,.4845;2.7665,1.2596,.1186;2.1341,2.8444,1.9098;2.247,.0149,.4711;3.9744,1.3542,-.571;2.923,-1.1446,.1103;4.6708,.1972,-.9115;4.1333,-1.0317,-.5732;1.1925,-2.7998,.1372;.4772,-2.2672,-.9338;.6653,-3.825,.9187;-.7907,-2.7762,-1.2157;-.5973,-4.329,.6171;-1.3301,-3.8079,-.4495;-1.5623,1.2792,.8202;-1.5491,1.9952,-2.2014;-1.7663,4.8848,.2609;-2.8895,4.0747,1.3623;-1.1901,3.5906,1.3243;-4.4967,3.3456,-.5088;-3.4811,4.3259,-1.5771;-3.834,2.648,-1.9949;-3.5419,.4859,-1.4536;2.3705,3.3672,-.094;1.3087,-.0675,1.0062;4.3689,2.3234,-.8521;5.6091,.2359,-1.451;.8983,-1.4745,-1.5393;1.2489,-4.2154,1.7442;-1.3543,-2.3609,-2.0435;-1.0108,-5.1268,1.2242;-2.3166,-4.1942,-.6733; 0.1660170 0.1305795 0.0860655 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= 762 RedAO= T EigKep= 1.26D-06 NBF= 762 NBsUse= 760 1.00D-06 EigRej= 9.59D-07 NBFU= 760 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= 776 776 776 776 776 MxSgAt= 47 MxSgA2= 47. 1 Closed 1 1 1 -2150.23526669720 -2150.23526670 1 2.143025651693e+03 -1.125972454799e+04 3.864172841814e+03 Using DIIS extrapolation, IDIIS= 1040. NGot= 2831155200 LenX= 2829882710 LenY= 2829256238 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= 47. Will process 48 centers per pass. Symmetrizing basis deriv contribution to polar: IMax=3 JMax=2 DiffMx= 0.00D+00 Minotr: Closed shell wavefunction. IDoAtm=11111111111111111111111111111111111111111111111 NEqPCM: Using equilibrium solvation (IEInf=0, Eps= 9.8629, EpsInf= 2.0435) Direct CPHF calculation. Differentiating once with respect to electric field. with respect to dipole field. Differentiating once with respect to nuclear coordinates. Requested convergence is 1.0D-08 RMS, and 1.0D-07 maximum. Secondary convergence is 1.0D-12 RMS, and 1.0D-12 maximum. NewPWx=T KeepS1=F KeepF1=F KeepIn=T MapXYZ=F SortEE=F KeepMc=T. 14504 words used for storage of precomputed grid. Two-electron integrals replicated using symmetry. MDV= 2831155200 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= 760000000 NMat= 141 IRICut= 352 DoRegI=T DoRafI=T ISym2E= 2 IDoP0=3 IntGTp=3. There are 144 degrees of freedom in the 1st order CPHF. IDoFFX=6 NUNeed= 3. 141 vectors produced by pass 0 Test12= 7.26D-14 1.00D-09 XBig12= 3.19D+02 6.11D+00. AX will form 141 AO Fock derivatives at one time. 141 vectors produced by pass 1 Test12= 7.26D-14 1.00D-09 XBig12= 6.27D+01 1.15D+00. 141 vectors produced by pass 2 Test12= 7.26D-14 1.00D-09 XBig12= 2.03D+00 9.43D-02. 141 vectors produced by pass 3 Test12= 7.26D-14 1.00D-09 XBig12= 1.03D-02 6.71D-03. 141 vectors produced by pass 4 Test12= 7.26D-14 1.00D-09 XBig12= 2.70D-05 2.50D-04. 134 vectors produced by pass 5 Test12= 7.26D-14 1.00D-09 XBig12= 4.99D-08 1.09D-05. 62 vectors produced by pass 6 Test12= 7.26D-14 1.00D-09 XBig12= 7.56D-11 6.20D-07. 3 vectors produced by pass 7 Test12= 7.26D-14 1.00D-09 XBig12= 1.07D-13 2.18D-08. InvSVY: IOpt=1 It= 1 EMax= 3.20D-14 Solved reduced A of dimension 904 with 144 vectors. FullF1: Do perturbations 1 to 3. Isotropic polarizability for W= 0.000000 397.37 Bohr**3. End of Minotr F.D. properties file 721 does not exist. 418.069 46.575 427.626 -4.887 -28.607 346.401 453.634 46.699 467.361 -9.212 -40.787 422.041 (Enter /usr/local/gaussian/gaussian16/g16/l716.exe) PT200509.100S Thu Oct 3 08:49:12 2024 -101.57182 -101.57127 -24.70524 -19.19401 -19.17891 -19.13284 -14.33715 -10.32609 -10.29477 -10.28883 -10.27472 -10.25779 -10.24559 -10.23620 -10.21197 -10.21084 -10.20335 -10.20263 -10.20225 -10.19711 -10.19572 -10.19509 -10.17988 -10.17918 -10.17907 -10.17699 -10.17181 -10.16397 -10.16125 -9.48644 -9.48580 -7.25126 -7.25066 -7.24107 -7.24085 -7.24040 -7.24022 -1.24351 -1.13517 -1.09673 -1.04647 -0.93745 -0.92395 -0.89820 -0.88984 -0.86279 -0.84319 -0.82163 -0.78301 -0.77517 -0.76028 -0.75584 -0.74273 -0.73265 -0.69606 -0.67414 -0.66057 -0.64132 -0.61885 -0.60652 -0.60372 -0.58608 -0.56779 -0.56490 -0.55416 -0.54576 -0.52619 -0.51236 -0.50920 -0.50014 -0.49348 -0.49189 -0.48812 -0.47595 -0.47108 -0.46422 -0.45704 -0.44797 -0.44214 -0.44047 -0.43390 -0.43079 -0.42501 -0.41857 -0.41211 -0.41104 -0.40463 -0.40295 -0.39799 -0.39013 -0.38731 -0.38215 -0.37767 -0.37570 -0.36908 -0.36743 -0.36189 -0.35262 -0.35090 -0.34575 -0.34320 -0.33771 -0.33501 -0.33251 -0.32200 -0.30979 -0.29271 -0.27661 -0.26487 -0.26359 -0.24619 -0.23596 -0.04502 -0.03663 -0.03374 -0.02148 -0.01734 -0.01221 -0.00654 -0.00301 0.00227 0.00860 0.01176 0.01489 0.01638 0.01872 0.02515 0.02971 0.03081 0.03421 0.04000 0.04127 0.04718 0.04855 0.05278 0.05523 0.05965 0.06421 0.06505 0.06839 0.07107 0.07651 0.07832 0.08363 0.08435 0.08856 0.09296 0.09456 0.09532 0.09752 0.09923 0.10476 0.10546 0.10960 0.11274 0.11507 0.11764 0.11885 0.12290 0.12564 0.12655 0.12984 0.13319 0.13490 0.13753 0.14016 0.14247 0.14387 0.14773 0.14994 0.15242 0.15477 0.15576 0.15711 0.15935 0.16434 0.16668 0.16862 0.17222 0.17515 0.17601 0.18053 0.18217 0.18527 0.18817 0.19104 0.19239 0.19442 0.19655 0.19842 0.20104 0.20549 0.20702 0.20885 0.20996 0.21204 0.21298 0.21513 0.21819 0.22014 0.22222 0.22376 0.22563 0.22734 0.22983 0.23277 0.23472 0.23551 0.23814 0.24069 0.24311 0.24467 0.24629 0.24660 0.24885 0.25254 0.25428 0.25529 0.26224 0.26417 0.26506 0.26618 0.26714 0.27071 0.27226 0.27557 0.27605 0.27845 0.28293 0.28358 0.28685 0.28872 0.29164 0.29369 0.29500 0.29830 0.30339 0.30915 0.31177 0.31279 0.31770 0.31787 0.32393 0.32518 0.32884 0.32960 0.33287 0.33359 0.34157 0.34622 0.34954 0.35240 0.35291 0.35715 0.35884 0.36102 0.36345 0.36483 0.37122 0.37235 0.37559 0.38170 0.38752 0.38936 0.39386 0.39471 0.40440 0.40761 0.41161 0.41692 0.42320 0.42848 0.43571 0.44237 0.44480 0.44935 0.46139 0.46442 0.47129 0.47589 0.48401 0.48793 0.49377 0.49541 0.50293 0.50721 0.51637 0.51899 0.52238 0.52978 0.53122 0.54071 0.54629 0.54934 0.55570 0.56437 0.56792 0.57005 0.57897 0.58144 0.58473 0.58813 0.59383 0.59538 0.59712 0.60201 0.60653 0.61435 0.61717 0.61988 0.63241 0.63530 0.63859 0.64453 0.64949 0.65063 0.65404 0.66072 0.66264 0.66740 0.67287 0.67726 0.67827 0.68169 0.69150 0.69218 0.69423 0.70206 0.70419 0.70860 0.70918 0.71357 0.71571 0.71817 0.72036 0.72564 0.72827 0.72905 0.73301 0.73799 0.74730 0.75269 0.75451 0.75776 0.76533 0.76838 0.77140 0.77657 0.78184 0.78229 0.78539 0.79423 0.79580 0.80611 0.81063 0.81369 0.81451 0.81893 0.82411 0.83012 0.83110 0.83860 0.84751 0.84846 0.84977 0.85334 0.85649 0.86511 0.87518 0.88688 0.88798 0.89051 0.89628 0.90647 0.91026 0.92077 0.92340 0.93131 0.93310 0.94037 0.94750 0.94879 0.95119 0.95902 0.96617 0.97165 0.97250 0.98491 0.98881 0.99371 1.00553 1.00877 1.01086 1.01787 1.02055 1.02399 1.03215 1.03840 1.04355 1.05264 1.05750 1.06290 1.07323 1.07597 1.08475 1.08755 1.09160 1.10394 1.10678 1.10744 1.12122 1.12866 1.13210 1.14550 1.14876 1.15579 1.16316 1.18010 1.18629 1.19840 1.20057 1.20974 1.22758 1.24107 1.24808 1.25037 1.26734 1.27785 1.28347 1.30471 1.30878 1.32221 1.32484 1.33410 1.34566 1.35610 1.36547 1.37119 1.38063 1.39215 1.39304 1.40451 1.41907 1.43414 1.44625 1.45292 1.45873 1.46518 1.47469 1.47678 1.48506 1.48994 1.50457 1.50789 1.51246 1.51333 1.51609 1.52799 1.53141 1.54123 1.54966 1.55629 1.57112 1.57130 1.57720 1.58161 1.58355 1.58807 1.59366 1.60356 1.61244 1.61421 1.62036 1.62638 1.63213 1.64265 1.64590 1.65210 1.66569 1.66799 1.67209 1.67904 1.68760 1.69588 1.70590 1.70882 1.71532 1.72022 1.73081 1.73575 1.73633 1.74448 1.75552 1.75750 1.76800 1.77685 1.78977 1.79947 1.80120 1.81084 1.81814 1.82738 1.83028 1.83563 1.84725 1.85137 1.85852 1.86779 1.87925 1.89480 1.90155 1.90849 1.92022 1.92784 1.93070 1.93626 1.93794 1.94176 1.95986 1.96472 1.97256 1.98024 1.98751 1.99099 2.00032 2.00492 2.01267 2.01883 2.02490 2.03488 2.04199 2.04461 2.05588 2.06097 2.06775 2.07830 2.08060 2.09183 2.09644 2.10449 2.11014 2.11462 2.13609 2.13872 2.15372 2.16751 2.18156 2.19756 2.20645 2.21934 2.22852 2.23082 2.23788 2.25097 2.27128 2.28663 2.30331 2.31949 2.32365 2.32841 2.33951 2.34395 2.35071 2.35809 2.37647 2.39179 2.40638 2.41582 2.42920 2.44928 2.45307 2.45687 2.47705 2.48260 2.48860 2.50320 2.51383 2.52891 2.53075 2.54589 2.56339 2.56579 2.57559 2.58467 2.60790 2.61840 2.62667 2.63513 2.64063 2.65264 2.65838 2.66020 2.67820 2.69162 2.69502 2.70583 2.72473 2.72644 2.73001 2.74121 2.75043 2.75414 2.75879 2.76587 2.77559 2.77926 2.78348 2.79153 2.79875 2.80400 2.81377 2.82194 2.82760 2.83136 2.84111 2.84533 2.84858 2.85843 2.86804 2.86921 2.88839 2.89842 2.90674 2.90796 2.91982 2.92903 2.93930 2.94367 2.95149 2.96724 2.98003 2.98558 2.99739 3.00158 3.01795 3.03725 3.05072 3.06103 3.07316 3.08440 3.09869 3.10441 3.10757 3.11492 3.12344 3.14964 3.15414 3.15791 3.17571 3.18057 3.19316 3.20464 3.21375 3.22276 3.24318 3.26737 3.27539 3.31842 3.34435 3.36033 3.36746 3.39006 3.39443 3.40456 3.42254 3.45453 3.46334 3.52575 3.55645 3.56322 3.57954 3.59587 3.63941 3.64629 3.65964 3.69336 3.70290 3.72207 3.77938 3.78281 3.78992 3.80881 3.83062 3.84099 3.85551 3.88805 3.90557 3.96784 3.97093 3.97977 3.99968 4.01463 4.03831 4.07260 4.08822 4.10565 4.13001 4.16196 4.16607 4.18160 4.18272 4.22989 4.25659 4.31228 4.32882 4.53800 4.56021 4.62939 4.84490 4.85374 4.87223 5.11939 5.13836 5.15715 5.24707 5.42086 5.43633 5.65346 5.88052 5.89304 6.34169 6.46246 6.74975 9.79410 9.83503 23.53108 23.55541 23.62264 23.77335 23.79770 23.87019 23.88707 23.91732 23.95440 23.95834 23.96699 23.98351 23.99461 24.01143 24.04054 24.07863 24.08583 24.10052 24.16948 24.18556 24.19796 24.35442 25.94453 25.98660 26.10307 26.15165 26.61337 26.69217 35.87760 49.92703 49.98694 50.02364 66.80816 215.79152 215.83900 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 Cl Cl F O O O 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 0.106270 0.153183 -0.183445 0.141859 -0.250552 -0.026598 -0.315997 0.524575 0.426117 -0.218863 -0.532487 -0.500747 -1.698554 -0.455469 0.543121 0.523482 0.869698 -0.475628 0.408330 -0.430151 -0.807345 0.008912 -0.131265 -0.572911 0.193162 -0.381527 0.228615 -0.060541 -0.278198 0.198026 0.203753 0.164866 0.164654 0.159031 0.171363 0.169871 0.151420 0.196496 0.243038 0.196929 0.166849 0.180006 0.179698 0.160434 0.158040 0.162532 0.165950 -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 Cl F O O O N C C C C C C C C C C C C C C C C C C C C C C 0.106270 0.153183 -0.183445 0.141859 -0.250552 -0.026598 -0.315997 0.524575 0.624142 -0.015110 -0.043937 -0.008093 -1.502058 -0.455469 0.543121 0.766521 0.869698 -0.475628 0.605259 -0.263303 -0.807345 0.188918 -0.131265 -0.572911 0.372859 -0.221092 0.386654 0.101991 -0.112247 0.00000 -1.37763509e+00 1.25869565e+00 -1.43850020e+00 4.18068648e+02 4.65748212e+01 4.27626036e+02 -4.88656049e+00 -2.86068715e+01 3.46401477e+02 -5.8179 -0.0017 -0.0004 0.0011 4.7325 9.3774 11.7314 19.9154 26.3258 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 A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A 7.9247 19.6169 26.2215 36.0869 46.1966 52.1259 57.5668 67.3214 75.6486 79.2028 81.7707 105.8939 131.4542 144.4888 153.0072 180.2613 191.3685 215.8165 225.2515 240.1546 247.2535 250.6595 264.8085 300.2453 311.5327 324.2763 340.7032 349.7829 369.4558 385.9688 400.9067 422.8742 433.6908 442.7426 466.5201 469.8706 492.9953 500.0718 505.9871 530.6903 569.4995 578.9158 596.7306 611.0596 629.7114 643.4969 655.6071 664.8586 702.4721 720.8400 737.4989 757.3590 766.3544 781.4133 810.0455 825.0966 832.9334 837.1006 843.9873 860.7150 898.9786 912.0822 915.7181 927.9632 955.1315 965.7319 975.4366 983.3495 984.9888 997.5567 1003.1227 1004.0625 1014.1782 1020.0306 1039.7746 1044.2354 1074.5606 1104.0535 1108.5637 1128.0882 1133.0512 1154.6822 1159.5092 1178.3175 1190.6213 1212.3411 1215.2842 1243.5595 1265.1280 1275.9248 1281.6096 1307.9036 1318.8709 1320.0300 1327.2803 1342.0650 1349.8747 1364.1892 1375.2893 1415.7846 1426.8889 1448.8036 1452.7711 1478.6496 1481.9120 1484.0615 1497.4072 1510.3765 1512.6542 1532.5095 1624.7149 1630.0967 1639.4788 1647.7931 1672.1525 1721.4570 2358.9910 3023.5833 3027.6298 3078.2672 3083.5653 3087.9472 3109.8532 3133.9833 3170.8947 3176.5280 3177.2329 3181.5074 3189.5312 3190.6116 3190.6954 3195.5712 3196.1150 3201.1648 3204.7412 10.0190 7.5262 7.2703 7.1754 4.5049 10.1616 7.1360 7.1399 8.6868 6.5495 10.8399 6.0785 3.7793 6.0954 3.6984 3.6230 2.0521 2.7417 4.6183 4.3267 4.1211 2.0501 6.1041 5.3590 5.1893 2.8296 6.7866 9.3920 6.9925 4.9354 3.0690 2.9823 4.1514 6.3681 3.7262 4.8212 4.9551 3.0641 4.4431 3.6889 6.2916 5.8557 7.4595 6.5895 6.4964 5.8640 5.1795 5.2015 2.1198 4.9673 4.0750 2.1291 5.1893 3.0101 5.7507 6.3682 1.6263 1.2788 4.8120 4.6598 1.5304 1.6903 1.6007 3.1853 3.0044 1.4336 4.7646 1.4741 1.3583 1.6502 1.3117 1.7473 5.7603 2.3765 3.0899 2.0939 1.3814 1.5044 1.6528 2.1221 2.3683 2.8306 1.7244 1.1218 1.2315 3.4339 2.0990 2.9864 2.6035 1.4697 3.5917 1.8331 1.2454 2.6820 2.5099 1.7798 1.8531 1.9595 1.4820 1.2955 1.2274 1.8047 3.1398 1.0512 2.3008 1.0511 1.1111 1.1083 2.1867 3.1136 5.7142 6.4870 6.7143 7.1478 7.1762 11.7303 12.6753 1.0387 1.0387 1.1021 1.1019 1.0836 1.1007 1.0975 1.0869 1.0895 1.0902 1.0888 1.0900 1.0924 1.0873 1.0929 1.0928 1.0977 1.0959 0.0004 0.0017 0.0029 0.0055 0.0057 0.0163 0.0139 0.0191 0.0293 0.0242 0.0427 0.0402 0.0385 0.0750 0.0510 0.0694 0.0443 0.0752 0.1381 0.1470 0.1484 0.0759 0.2522 0.2846 0.2967 0.1753 0.4641 0.6770 0.5624 0.4332 0.2906 0.3142 0.4601 0.7355 0.4778 0.6271 0.7096 0.4515 0.6702 0.6121 1.2023 1.1563 1.5650 1.4497 1.5178 1.4307 1.3117 1.3547 0.6163 1.5207 1.3059 0.7195 1.7956 1.0829 2.2233 2.5543 0.6648 0.5280 2.0195 2.0340 0.7287 0.8285 0.7908 1.6161 1.6148 0.7877 2.6710 0.8398 0.7764 0.9675 0.7776 1.0379 3.4908 1.4569 1.9682 1.3453 0.9398 1.0804 1.1967 1.5911 1.7914 2.2236 1.3660 0.9177 1.0285 2.9736 1.8265 2.7210 2.4552 1.4097 3.4758 1.8475 1.2763 2.7534 2.6051 1.8887 1.9895 2.1485 1.6515 1.5300 1.4723 2.2319 3.9043 1.3541 2.9770 1.3639 1.4679 1.4897 2.9480 4.3084 8.8871 10.1560 10.6332 11.4348 11.8221 20.4810 41.5585 5.5948 5.6097 6.1531 6.1731 6.0881 6.2719 6.3508 6.4390 6.4770 6.4844 6.4935 6.5333 6.5519 6.5218 6.5756 6.5773 6.6273 6.6313 0.2407 0.1690 0.4510 1.4047 0.2164 1.5261 1.2321 2.9838 2.8135 1.2492 5.2848 6.2433 0.8559 3.6516 4.4987 1.4618 2.7025 1.2991 0.6539 1.0776 1.5909 1.7286 7.0390 2.2352 4.9332 2.1095 1.5959 3.3394 4.4898 8.9014 5.5092 0.1731 10.5733 10.3798 13.3631 7.5563 34.5517 24.0286 6.0889 10.3709 9.9900 7.3783 10.4053 31.8168 0.3653 15.6116 13.6940 14.6055 58.3790 11.4333 15.6749 65.4508 24.8134 52.4260 43.2645 61.1512 39.2622 4.3537 80.9817 87.6872 56.4727 65.2416 39.1646 40.2392 38.5844 3.4644 17.0514 21.4799 0.4622 21.2848 3.8568 65.9849 1.3155 11.3218 236.4754 19.2063 68.1550 19.4317 7.4922 223.1881 97.4853 27.4277 15.6123 11.7616 80.9801 314.0962 41.3337 234.1709 265.1780 3.2889 444.5704 29.8955 28.6845 47.7216 45.0128 11.9008 7.3510 53.3569 18.9415 10.2361 10.4025 25.0824 75.0810 4.7632 3.4247 6.1004 8.7437 12.3047 188.3342 256.3624 86.3722 67.8367 12.9053 6.7597 27.5560 771.8625 21.3622 21.6877 71.7622 17.3726 53.5114 9.0878 34.2853 16.4254 4.8308 9.8903 1.4092 4.2316 1.6299 10.8200 5.2251 5.4062 6.9781 4.6736 0.4577 0.29 -0.04 -0.04 0.11 -0.03 0.11 -0.15 -0.08 0.11 -0.01 0.07 -0.01 -0.01 -0.00 -0.03 -0.14 0.04 0.17 0.00 0.12 -0.04 -0.01 0.04 -0.01 0.00 0.05 0.02 -0.01 0.04 -0.01 -0.02 0.07 -0.04 -0.02 0.01 -0.01 0.01 0.03 0.06 -0.01 0.04 -0.02 0.12 -0.01 0.04 -0.01 0.05 -0.02 -0.04 0.01 0.02 -0.00 0.09 -0.03 -0.07 0.04 0.07 -0.05 -0.04 -0.01 -0.10 0.01 0.11 -0.09 -0.07 0.02 -0.11 -0.05 0.08 -0.09 -0.00 0.02 -0.01 0.01 -0.02 -0.12 -0.06 -0.07 0.04 -0.03 -0.16 -0.07 -0.10 -0.21 0.01 -0.08 -0.26 0.02 0.08 0.01 -0.02 0.01 -0.00 -0.03 0.06 -0.06 -0.01 0.07 -0.03 -0.01 0.09 -0.04 -0.02 0.02 -0.01 -0.04 0.00 -0.04 -0.02 -0.01 0.00 -0.08 0.04 0.11 0.01 0.02 -0.04 -0.06 0.08 0.09 -0.04 -0.06 -0.05 -0.10 -0.11 0.00 0.01 0.06 0.05 -0.18 -0.07 -0.03 0.10 -0.01 -0.20 -0.09 -0.14 -0.28 0.05 -0.12 -0.37 0.03 0.05 0.09 -0.06 0.00 0.19 0.13 0.05 0.06 -0.02 -0.06 0.00 0.02 -0.12 -0.00 0.02 -0.04 -0.16 -0.09 -0.05 0.04 0.00 -0.02 -0.10 -0.03 -0.01 0.00 0.01 -0.09 -0.03 -0.00 0.04 -0.16 0.02 -0.06 -0.14 -0.04 -0.02 0.06 0.00 -0.09 -0.01 -0.03 0.01 0.11 -0.03 -0.03 0.03 0.01 -0.01 0.04 -0.06 -0.04 0.03 -0.01 -0.03 -0.06 0.07 0.03 0.14 0.03 -0.01 -0.06 0.11 0.05 0.15 0.09 0.03 0.05 -0.00 0.02 -0.13 -0.00 0.05 -0.12 -0.03 0.03 -0.13 -0.02 0.09 -0.11 -0.05 0.08 -0.12 -0.05 0.11 -0.10 -0.05 0.04 0.02 0.03 -0.15 -0.02 0.01 0.01 -0.22 -0.01 0.10 -0.18 -0.01 0.07 -0.13 0.01 0.00 -0.16 0.04 -0.09 -0.21 0.02 -0.11 -0.10 -0.07 -0.05 0.07 -0.04 -0.02 0.04 -0.05 -0.06 -0.14 0.08 0.04 0.22 0.15 0.08 0.24 0.02 0.03 -0.12 -0.03 0.01 -0.14 -0.02 0.12 -0.10 -0.07 0.09 -0.12 -0.06 0.14 -0.09 -0.11 -0.07 0.02 -0.08 -0.01 -0.03 0.06 -0.04 0.16 0.04 0.00 -0.05 -0.05 -0.08 -0.07 -0.02 0.03 0.04 0.13 0.24 -0.16 0.01 -0.07 0.12 0.02 -0.08 0.04 -0.02 -0.03 0.03 0.05 -0.12 0.15 -0.02 -0.03 0.18 -0.00 -0.05 0.01 -0.01 -0.04 -0.03 -0.05 -0.05 0.00 0.04 0.03 -0.10 0.04 0.01 -0.04 0.09 0.14 -0.13 0.02 0.03 -0.03 0.08 -0.02 0.01 0.02 0.01 0.04 0.08 -0.03 0.08 0.05 -0.02 0.09 -0.01 0.05 -0.02 0.05 0.05 -0.06 -0.07 0.07 -0.03 0.05 0.07 -0.11 -0.07 0.09 -0.08 -0.01 0.10 -0.12 0.06 -0.13 0.01 -0.07 0.01 0.04 0.06 -0.10 0.19 0.07 -0.14 0.17 0.06 -0.16 0.12 0.01 -0.07 0.22 -0.04 -0.00 0.24 -0.04 0.02 0.15 0.02 -0.03 0.00 0.01 -0.01 -0.18 -0.01 0.05 -0.07 0.10 -0.03 0.00 0.11 -0.06 0.13 0.09 0.03 -0.05 -0.12 0.07 0.01 0.10 0.08 -0.14 -0.12 0.11 -0.09 -0.01 0.11 -0.16 0.15 -0.04 -0.12 -0.02 0.05 -0.01 0.16 0.01 0.16 -0.05 -0.05 -0.05 -0.10 0.08 -0.04 0.03 -0.06 -0.11 -0.04 -0.04 -0.07 -0.05 0.09 0.06 -0.07 0.08 0.01 -0.09 0.09 -0.00 0.02 0.05 0.07 -0.07 0.14 0.11 -0.09 0.09 0.02 -0.08 0.04 -0.04 0.00 0.04 -0.03 -0.05 -0.05 -0.07 -0.03 -0.04 -0.05 -0.04 -0.04 -0.07 -0.05 -0.06 -0.12 0.04 -0.01 0.07 0.01 -0.04 -0.06 0.09 0.00 0.14 0.09 -0.01 0.08 0.01 -0.05 -0.03 -0.02 -0.11 -0.04 0.02 0.00 0.05 -0.03 -0.11 0.04 0.01 -0.01 0.12 -0.02 -0.06 0.12 -0.04 0.05 -0.02 -0.13 0.13 0.00 0.01 0.06 0.09 0.05 0.05 0.11 0.04 0.02 0.03 -0.04 0.15 0.15 -0.06 0.15 0.13 -0.12 0.17 0.11 -0.18 0.15 0.07 -0.05 -0.05 -0.07 -0.10 -0.07 -0.21 0.05 -0.00 0.13 0.15 0.02 0.24 -0.03 -0.15 -0.10 0.04 0.05 0.06 -0.06 -0.16 0.03 0.02 0.04 0.19 -0.03 -0.06 0.17 0.04 -0.00 0.01 0.06 -0.05 0.00 -0.02 -0.01 -0.02 0.00 0.01 0.01 0.01 0.09 0.02 -0.02 -0.00 -0.01 -0.00 -0.10 0.04 -0.01 -0.03 0.00 0.04 -0.03 -0.02 0.02 0.01 -0.01 -0.04 -0.04 0.02 -0.02 -0.06 0.00 0.06 -0.05 -0.02 0.01 0.04 0.01 0.05 -0.04 -0.01 0.00 -0.00 0.02 -0.01 -0.00 -0.01 0.00 -0.06 0.03 -0.01 -0.00 -0.02 -0.01 -0.00 -0.01 -0.01 -0.00 -0.02 -0.01 -0.01 -0.02 -0.01 -0.01 -0.02 -0.03 0.03 0.00 0.07 -0.08 -0.12 -0.14 0.19 0.13 0.05 -0.05 -0.12 -0.16 0.23 0.13 -0.05 0.10 0.00 0.04 -0.03 -0.02 0.03 0.02 -0.01 -0.08 -0.02 0.04 -0.04 -0.08 0.03 -0.02 -0.02 0.01 -0.02 -0.10 0.00 -0.05 -0.05 0.02 0.01 -0.06 -0.00 0.07 -0.07 -0.03 0.02 0.01 0.04 -0.01 -0.00 -0.02 -0.00 -0.00 -0.01 -0.01 -0.01 -0.02 0.16 -0.20 -0.21 -0.22 0.29 0.24 0.13 -0.15 -0.22 -0.25 0.35 0.24 -0.06 0.12 0.00 -0.14 0.20 0.17 0.19 -0.09 -0.01 0.05 -0.04 0.13 0.01 0.03 -0.03 -0.05 0.30 0.00 -0.06 -0.03 -0.08 0.08 -0.02 -0.05 -0.04 0.00 0.00 0.05 0.01 -0.03 -0.00 0.08 -0.01 -0.09 -0.00 0.02 -0.08 -0.07 0.02 0.12 -0.04 -0.04 -0.02 0.16 -0.01 0.06 0.02 0.03 0.02 -0.00 -0.04 -0.02 -0.02 -0.05 0.05 -0.01 -0.05 -0.07 -0.02 -0.11 0.04 -0.03 0.05 -0.05 -0.02 -0.06 0.06 -0.04 0.10 0.02 -0.03 0.06 -0.05 -0.05 -0.07 -0.10 -0.04 -0.03 0.01 -0.10 -0.09 -0.08 -0.08 -0.02 0.02 -0.14 -0.08 -0.02 -0.13 -0.04 0.06 0.03 -0.03 0.00 0.10 -0.02 -0.20 0.03 0.04 -0.07 -0.11 0.07 -0.03 0.05 -0.03 -0.07 -0.12 0.04 -0.14 -0.05 0.03 -0.05 -0.08 0.02 0.23 -0.14 -0.12 0.03 -0.01 -0.04 -0.11 -0.01 -0.18 0.09 -0.03 0.10 0.11 -0.05 0.19 -0.14 -0.00 -0.01 0.05 -0.11 -0.13 -0.12 -0.08 0.01 0.08 -0.19 -0.10 -0.01 -0.17 -0.04 -0.08 0.10 0.05 -0.06 0.05 0.05 0.05 -0.03 0.03 -0.03 -0.08 -0.05 -0.07 0.10 -0.03 0.09 -0.03 0.16 -0.11 -0.12 -0.01 -0.03 0.05 0.01 -0.05 0.04 -0.00 -0.06 0.04 -0.02 0.01 0.04 0.00 -0.04 0.07 0.04 -0.06 0.05 0.01 -0.05 0.02 -0.03 -0.07 0.06 0.03 -0.03 -0.06 -0.03 -0.01 -0.05 -0.03 -0.07 -0.09 -0.02 0.06 -0.05 0.08 -0.07 -0.04 -0.12 0.08 -0.04 0.10 -0.04 -0.04 -0.10 0.03 -0.04 0.01 0.13 -0.05 0.04 0.23 -0.07 -0.04 0.04 -0.03 0.02 0.24 -0.04 -0.13 0.05 0.00 -0.08 0.15 -0.00 -0.15 -0.03 0.03 -0.02 -0.08 0.05 -0.01 0.00 0.04 0.00 0.04 0.04 0.04 0.03 0.03 -0.03 -0.03 0.09 0.06 -0.03 0.07 0.03 -0.08 0.07 0.05 -0.06 0.04 0.01 -0.04 -0.05 -0.01 0.10 -0.06 0.14 -0.12 -0.05 -0.21 -0.08 -0.03 -0.17 0.30 -0.09 -0.02 -0.04 -0.02 0.08 0.32 -0.04 -0.19 -0.02 0.03 -0.09 0.16 0.02 -0.22 0.07 -0.02 -0.05 -0.11 0.04 0.10 -0.01 -0.03 0.02 0.03 -0.04 -0.10 0.01 0.29 -0.05 -0.01 0.01 0.03 -0.21 -0.06 0.02 0.04 -0.10 -0.00 0.12 -0.11 -0.12 0.05 0.01 -0.10 0.02 -0.16 0.06 -0.01 -0.11 0.07 0.09 -0.09 -0.10 0.04 0.10 -0.08 0.03 -0.03 -0.03 0.02 -0.01 -0.02 0.04 0.00 0.00 -0.09 -0.03 -0.01 0.04 0.01 0.03 0.03 -0.02 -0.02 0.02 -0.00 0.03 0.01 -0.03 -0.01 0.01 -0.02 0.01 -0.02 0.03 0.03 -0.05 0.12 0.10 0.01 -0.03 -0.04 -0.06 0.15 0.11 -0.00 -0.00 -0.03 -0.04 0.09 0.04 0.17 -0.14 -0.16 0.04 0.09 -0.11 -0.04 -0.11 0.13 0.03 -0.26 0.10 0.05 -0.17 0.02 0.01 -0.22 0.10 -0.08 -0.06 0.15 0.01 -0.05 0.01 0.06 -0.09 -0.08 0.04 0.01 0.01 0.05 0.02 0.05 0.03 -0.02 -0.04 0.01 -0.04 -0.02 -0.07 0.17 0.15 0.04 -0.11 -0.09 -0.09 0.22 0.16 0.02 -0.05 -0.09 -0.05 0.11 0.04 0.01 -0.11 -0.05 -0.17 0.07 0.04 0.02 -0.01 0.02 0.02 -0.01 0.10 -0.05 0.32 0.14 0.02 -0.01 0.02 0.37 0.08 -0.03 -0.07 -0.03 -0.09 -0.04 -0.01 0.01 0.02 -0.04 0.04 -0.16 0.04 -0.13 -0.01 -0.10 -0.21 -0.04 -0.02 0.02 -0.01 0.10 0.11 -0.05 -0.02 0.00 0.03 -0.00 0.03 0.01 -0.01 -0.00 0.17 0.03 0.01 0.01 -0.01 -0.00 0.01 -0.01 -0.01 0.01 -0.01 0.00 0.01 -0.01 -0.00 0.01 -0.01 0.01 0.02 -0.02 0.00 0.04 -0.04 -0.01 0.02 -0.01 0.01 0.04 -0.05 -0.02 0.02 -0.02 0.01 0.03 -0.03 -0.01 -0.11 0.05 0.07 0.11 -0.10 0.03 -0.20 0.03 -0.17 -0.19 0.02 -0.16 -0.16 0.11 -0.09 -0.07 -0.09 -0.29 -0.00 -0.12 -0.25 0.07 -0.14 -0.20 -0.06 0.00 0.03 -0.00 -0.01 -0.01 0.01 -0.01 0.00 0.01 -0.01 -0.01 0.01 -0.01 -0.00 0.04 -0.05 -0.02 0.01 -0.00 0.02 0.05 -0.06 -0.03 0.01 -0.01 0.01 0.03 -0.04 -0.01 0.02 -0.03 -0.01 0.12 -0.09 -0.07 0.07 -0.04 0.09 -0.02 -0.06 0.00 -0.09 0.01 0.01 0.03 -0.02 0.05 0.11 -0.16 -0.03 -0.07 0.04 -0.01 -0.09 0.04 0.05 -0.06 -0.01 0.03 -0.05 0.08 -0.06 -0.05 0.02 -0.04 -0.06 0.02 0.05 -0.06 -0.02 0.02 0.01 -0.02 0.01 -0.01 -0.05 -0.04 0.00 -0.04 -0.06 0.04 -0.09 -0.03 0.05 -0.03 0.02 -0.03 -0.04 -0.11 0.05 -0.03 0.05 -0.00 -0.04 -0.05 0.04 -0.04 0.03 0.00 0.05 0.04 -0.01 0.19 0.12 -0.02 -0.00 -0.04 -0.05 0.28 0.12 -0.05 0.09 -0.05 -0.07 0.23 0.03 -0.11 0.07 0.07 -0.06 -0.05 0.04 -0.07 0.06 -0.10 -0.04 0.10 -0.04 -0.04 0.10 -0.07 -0.06 0.08 -0.05 -0.03 -0.00 -0.10 -0.07 -0.02 -0.01 -0.06 0.02 0.05 -0.04 -0.03 -0.04 0.06 -0.02 0.05 -0.06 -0.05 -0.17 -0.02 -0.05 -0.08 -0.00 0.22 0.17 -0.00 -0.11 -0.10 -0.06 0.39 0.18 -0.06 0.04 -0.12 -0.09 0.30 0.03 0.01 0.01 0.01 0.09 -0.06 -0.04 -0.05 -0.05 -0.23 0.00 -0.23 0.02 -0.06 0.21 0.08 0.06 -0.13 -0.07 -0.21 0.50 -0.08 -0.01 0.04 -0.01 -0.05 0.03 0.04 -0.02 -0.03 0.03 0.05 0.06 -0.04 0.01 0.06 -0.02 -0.04 0.03 0.04 -0.03 -0.00 0.04 0.01 0.00 0.01 -0.02 -0.11 0.04 0.05 -0.10 0.15 -0.09 0.16 -0.01 0.07 -0.12 0.11 0.04 -0.07 0.12 0.06 -0.10 0.01 0.02 -0.05 0.02 0.02 -0.07 -0.06 0.03 -0.06 -0.03 0.04 -0.03 -0.02 -0.02 -0.02 -0.01 0.00 0.05 0.01 -0.06 0.06 0.03 -0.05 0.10 0.04 -0.07 0.04 0.05 -0.01 -0.04 0.03 0.06 0.04 -0.08 0.07 0.10 -0.02 0.06 0.05 -0.06 0.02 0.15 -0.02 0.07 0.03 -0.08 -0.03 0.03 0.02 -0.04 0.02 0.03 -0.06 -0.16 -0.06 0.08 -0.15 0.12 0.03 -0.06 0.15 -0.01 -0.02 -0.03 0.08 -0.06 -0.03 -0.03 -0.05 -0.01 0.01 0.08 0.02 -0.10 0.10 0.04 -0.08 0.16 0.06 0.06 0.18 -0.08 -0.01 -0.04 0.07 0.02 0.01 -0.04 -0.05 0.00 0.05 0.06 -0.15 0.04 0.04 -0.06 -0.01 0.18 0.09 -0.01 -0.07 -0.01 0.00 -0.04 -0.02 -0.14 -0.02 0.09 -0.04 -0.18 -0.15 0.16 -0.04 0.03 -0.02 -0.02 -0.02 -0.17 -0.01 -0.02 0.03 -0.01 0.02 -0.10 -0.04 -0.04 0.04 -0.04 -0.05 0.05 0.04 0.01 0.02 -0.00 -0.06 0.05 -0.05 -0.02 0.03 0.02 -0.04 0.02 -0.03 0.01 0.01 0.01 -0.01 0.00 0.04 -0.04 -0.01 0.04 -0.00 0.01 0.02 -0.04 -0.02 0.02 0.05 0.02 -0.01 0.02 -0.01 -0.01 0.07 0.02 -0.05 -0.06 -0.14 0.01 0.19 -0.06 -0.30 -0.03 0.33 -0.19 -0.37 0.20 -0.13 -0.15 0.10 -0.07 -0.05 -0.05 -0.05 0.06 0.07 0.01 0.08 -0.08 -0.03 -0.05 -0.17 -0.03 -0.06 0.01 0.01 -0.09 0.06 -0.08 -0.00 0.02 -0.04 0.04 -0.01 0.06 -0.01 0.01 0.02 -0.07 -0.04 0.02 0.09 0.04 -0.03 0.02 -0.01 -0.03 0.11 0.04 0.01 -0.05 0.03 0.00 0.12 -0.05 0.03 -0.02 0.00 0.01 0.09 -0.00 0.04 -0.10 -0.03 0.03 -0.05 -0.02 -0.09 0.05 0.00 -0.05 0.01 0.01 0.07 0.04 0.04 0.00 0.08 0.01 -0.17 0.08 -0.02 -0.13 -0.17 0.03 0.11 0.02 0.04 0.02 0.03 -0.01 0.06 0.02 0.03 0.02 -0.01 0.00 -0.01 -0.04 0.00 -0.01 0.01 0.00 0.00 -0.04 0.01 -0.02 -0.03 -0.02 0.02 -0.04 -0.00 -0.01 -0.02 -0.02 0.01 -0.03 -0.00 0.03 -0.05 -0.02 0.03 -0.03 -0.01 0.02 -0.04 -0.02 0.01 0.02 0.01 -0.01 0.01 0.00 -0.01 0.04 0.02 0.08 0.08 0.04 0.00 0.03 0.02 -0.47 0.15 -0.04 -0.12 -0.15 0.09 -0.00 0.28 -0.14 -0.14 -0.40 0.04 -0.34 -0.11 0.11 -0.00 -0.14 -0.03 0.13 0.01 0.03 0.07 -0.03 0.00 0.01 -0.05 0.01 -0.03 -0.03 -0.03 -0.01 -0.01 -0.02 0.05 -0.04 -0.02 0.02 -0.06 -0.03 0.01 0.04 0.02 -0.03 0.02 0.01 -0.04 0.09 0.05 0.00 -0.01 0.01 0.01 0.01 0.00 0.18 0.06 0.22 -0.04 0.04 0.06 0.07 0.03 0.08 0.01 -0.06 -0.07 -0.05 0.16 0.02 0.07 -0.02 0.01 0.05 -0.03 -0.01 0.05 -0.03 -0.00 0.11 -0.02 -0.00 0.10 0.02 -0.00 0.05 -0.02 -0.01 0.03 0.01 0.04 0.02 -0.01 0.00 -0.04 -0.02 0.06 -0.11 -0.03 -0.03 -0.02 0.02 0.05 -0.05 -0.05 -0.00 -0.22 0.00 -0.22 -0.02 -0.03 -0.03 -0.16 0.03 -0.19 -0.01 0.02 -0.01 -0.00 -0.05 -0.06 -0.02 -0.05 -0.05 -0.01 -0.04 -0.05 -0.05 -0.01 -0.00 -0.04 0.00 0.00 -0.06 0.02 0.03 0.06 -0.04 -0.01 0.06 -0.02 -0.01 0.32 -0.09 -0.02 0.05 0.16 -0.12 -0.03 -0.12 0.12 0.09 0.07 -0.01 0.15 0.01 -0.02 0.07 0.02 0.00 0.06 -0.02 -0.01 -0.02 -0.02 0.07 -0.02 -0.08 0.05 -0.32 0.01 -0.33 -0.20 0.06 -0.25 -0.02 -0.06 -0.07 0.00 -0.05 -0.06 -0.06 0.01 0.01 -0.04 0.02 0.02 -0.08 0.06 0.07 0.00 0.01 0.00 0.01 0.02 -0.02 -0.03 0.06 -0.06 -0.07 -0.01 -0.04 0.00 0.02 -0.03 0.02 -0.04 0.01 0.20 -0.03 -0.02 0.03 -0.02 -0.01 0.06 -0.02 -0.03 -0.02 -0.01 -0.08 0.16 0.05 -0.12 -0.08 -0.08 0.14 0.04 -0.01 -0.01 -0.02 0.00 -0.06 0.02 0.00 -0.01 -0.09 -0.02 0.02 -0.08 -0.02 0.06 -0.03 -0.01 0.01 -0.05 -0.03 0.06 -0.07 0.02 0.09 -0.02 -0.01 0.04 -0.04 0.05 0.07 -0.03 0.04 0.03 0.03 -0.04 -0.00 0.04 -0.02 0.00 0.01 -0.04 -0.01 0.02 0.03 0.01 -0.01 0.01 -0.00 -0.01 0.05 0.02 0.12 -0.05 -0.07 -0.04 -0.02 -0.08 0.39 -0.07 -0.25 0.15 0.32 -0.20 0.06 -0.03 -0.02 -0.02 -0.28 0.23 -0.26 -0.01 0.26 -0.08 -0.00 0.08 0.04 -0.01 -0.01 -0.07 -0.03 0.01 -0.06 -0.06 0.05 -0.10 0.04 0.12 -0.04 0.08 0.08 0.06 -0.04 0.00 0.00 -0.07 -0.02 0.03 0.05 0.02 -0.04 0.01 -0.01 -0.03 0.09 0.03 -0.02 -0.09 0.05 0.01 -0.00 0.01 -0.06 0.01 -0.03 -0.01 0.14 -0.05 -0.01 0.02 -0.08 0.03 -0.04 0.02 0.02 -0.03 -0.02 0.02 0.02 -0.01 0.02 0.01 -0.02 0.00 0.03 -0.02 -0.03 -0.04 0.07 0.11 0.12 -0.10 0.04 -0.03 0.02 -0.00 0.06 -0.06 0.03 -0.02 0.03 -0.02 0.03 -0.03 -0.07 -0.01 0.01 -0.01 0.02 -0.02 -0.08 -0.02 -0.00 -0.04 -0.00 0.06 -0.03 -0.01 0.02 -0.02 0.01 0.06 -0.04 0.01 0.02 0.07 -0.09 -0.03 0.09 -0.07 -0.04 0.05 -0.10 -0.05 0.04 0.04 0.02 -0.01 0.01 0.00 -0.03 0.11 0.06 0.02 0.03 -0.01 -0.03 0.05 -0.02 -0.11 0.02 0.16 -0.03 -0.17 0.10 0.00 -0.04 0.03 0.11 0.50 -0.12 0.37 -0.01 -0.33 -0.04 -0.02 0.06 0.03 -0.05 0.02 0.06 0.00 -0.02 -0.09 -0.03 -0.03 -0.03 0.01 0.10 -0.01 0.02 0.09 0.13 -0.10 -0.05 0.05 -0.14 -0.07 0.04 0.09 0.04 -0.05 0.04 0.01 -0.09 0.22 0.13 -0.00 0.03 -0.03 -0.01 -0.04 0.02 -0.05 -0.05 0.01 0.03 0.12 0.03 -0.02 -0.01 0.02 0.01 0.00 0.01 -0.08 0.00 0.02 -0.02 -0.01 0.02 -0.03 -0.01 0.02 -0.00 0.01 0.04 -0.00 0.02 -0.01 -0.03 -0.03 0.01 -0.03 -0.00 -0.02 -0.00 0.04 0.04 -0.03 -0.01 -0.02 0.05 0.04 -0.01 0.01 0.01 -0.03 0.04 0.02 -0.00 -0.02 0.01 -0.05 0.04 -0.02 0.00 -0.01 0.00 -0.02 0.03 -0.04 0.01 -0.01 -0.03 -0.01 0.04 -0.04 -0.03 0.05 -0.03 -0.03 0.04 -0.04 -0.03 0.02 0.02 0.01 0.01 0.01 0.01 -0.01 0.06 0.04 -0.05 -0.01 0.03 0.02 -0.00 0.04 0.47 -0.13 -0.08 -0.14 0.42 -0.29 -0.29 -0.18 0.27 -0.06 -0.23 -0.03 -0.13 0.05 0.17 0.10 0.07 -0.10 -0.02 0.02 -0.02 0.08 0.03 -0.00 -0.03 0.02 -0.06 0.07 -0.03 0.02 0.04 -0.05 0.03 0.07 -0.05 -0.04 0.05 -0.06 -0.05 0.02 0.04 0.02 -0.00 0.03 0.01 -0.04 0.11 0.09 -0.02 -0.05 0.03 0.01 0.02 0.02 0.11 0.04 -0.09 -0.01 0.08 -0.02 -0.01 -0.01 -0.04 0.01 -0.05 -0.02 0.00 0.00 -0.02 -0.03 0.02 0.00 0.01 0.01 -0.02 -0.01 0.07 -0.01 -0.06 -0.01 0.04 0.01 0.04 -0.05 0.05 -0.02 -0.01 -0.01 0.05 -0.03 0.04 -0.01 0.01 -0.01 -0.02 -0.01 -0.02 -0.04 0.02 -0.01 -0.01 -0.01 0.03 -0.06 0.03 -0.02 -0.01 0.02 0.05 -0.06 0.01 0.01 0.01 0.02 0.05 -0.02 -0.00 -0.05 0.04 0.07 -0.05 0.06 0.09 -0.08 0.05 0.07 -0.01 -0.00 -0.00 -0.03 -0.02 -0.02 0.02 -0.08 -0.08 0.01 0.03 -0.02 -0.02 0.09 -0.01 0.40 -0.12 0.05 -0.22 0.32 -0.25 -0.36 -0.24 0.33 -0.03 0.04 -0.09 0.04 0.04 -0.03 0.05 0.05 -0.06 0.05 -0.04 -0.01 0.05 -0.04 -0.01 0.04 -0.09 0.04 -0.05 -0.00 0.01 0.01 0.04 0.02 -0.06 0.09 0.12 -0.11 0.06 0.10 0.02 -0.01 -0.02 -0.03 -0.04 -0.05 0.08 -0.17 -0.18 0.08 0.06 0.06 0.03 0.15 -0.10 -0.05 0.00 0.00 -0.05 -0.16 0.02 -0.05 -0.00 0.05 -0.01 0.04 0.05 -0.00 -0.02 -0.06 -0.00 -0.06 0.02 0.01 -0.04 0.05 -0.01 -0.09 0.03 -0.05 -0.13 0.09 0.08 -0.06 -0.09 0.05 -0.01 0.04 -0.05 -0.09 0.03 0.06 0.01 0.05 -0.07 -0.03 -0.04 -0.04 0.01 -0.06 -0.04 -0.02 -0.05 -0.06 0.02 -0.09 0.00 0.02 0.01 -0.04 0.02 -0.02 0.00 0.01 0.03 -0.03 0.02 -0.00 0.02 -0.00 0.01 0.03 -0.00 0.01 0.02 -0.02 -0.00 0.02 0.02 0.01 0.01 0.00 -0.01 0.01 0.03 0.01 -0.01 -0.01 0.06 -0.03 -0.11 0.04 0.32 -0.19 0.17 -0.20 0.08 -0.16 -0.31 -0.34 0.33 -0.01 -0.09 -0.21 0.12 -0.05 -0.05 0.19 -0.04 -0.14 0.06 -0.00 0.04 -0.16 -0.01 -0.06 -0.08 0.03 -0.13 0.03 0.02 0.06 0.03 0.01 0.07 0.04 -0.01 0.01 0.01 -0.03 -0.00 0.03 0.03 0.01 0.01 -0.00 -0.02 0.00 0.05 0.02 0.02 0.01 0.01 0.02 0.01 -0.03 -0.03 0.01 0.05 0.05 -0.01 -0.09 -0.08 0.02 -0.13 -0.00 -0.02 -0.09 0.05 -0.07 0.02 -0.00 -0.01 -0.01 -0.03 0.01 0.03 -0.01 -0.04 0.01 -0.05 -0.06 0.05 0.02 -0.02 -0.06 -0.06 0.04 0.05 0.00 -0.01 -0.07 -0.04 0.03 0.04 0.04 0.03 0.00 0.08 0.02 0.14 -0.01 0.06 0.00 0.13 0.02 0.27 -0.02 0.01 -0.03 0.04 0.02 0.11 -0.02 0.01 -0.03 0.01 0.02 0.06 -0.01 0.00 -0.11 -0.05 -0.04 -0.11 0.03 0.01 -0.07 -0.07 -0.07 -0.03 0.01 0.01 0.03 -0.05 -0.02 0.05 -0.04 0.02 0.04 -0.04 -0.06 0.02 0.09 -0.06 0.13 -0.12 -0.01 -0.05 -0.16 -0.15 0.15 -0.06 -0.29 -0.16 -0.08 0.09 0.17 0.23 0.12 -0.22 -0.09 0.07 0.07 0.07 0.00 -0.02 0.17 0.03 0.35 -0.10 0.00 -0.16 -0.08 -0.00 -0.14 -0.08 -0.05 -0.14 0.07 0.04 -0.09 -0.11 -0.10 -0.02 0.04 0.04 0.08 -0.07 -0.01 0.12 0.02 0.06 -0.03 0.00 -0.03 -0.03 0.14 0.12 -0.09 0.04 0.11 -0.01 -0.04 0.04 -0.04 -0.02 -0.03 0.09 -0.03 -0.02 0.00 0.06 -0.04 0.01 -0.01 -0.02 0.08 0.04 -0.12 0.05 0.04 -0.04 0.02 0.08 -0.07 -0.03 -0.11 0.06 0.07 0.02 -0.00 -0.01 -0.09 0.04 0.03 0.04 0.04 -0.02 -0.02 0.00 -0.02 0.04 0.03 -0.02 -0.02 -0.02 -0.05 -0.01 0.03 0.02 -0.00 -0.04 -0.01 -0.01 0.04 0.02 0.01 0.02 -0.02 -0.02 -0.08 0.08 0.02 -0.06 0.07 -0.09 -0.10 0.03 0.00 0.00 0.01 -0.11 -0.04 -0.03 -0.07 0.01 -0.03 -0.04 -0.03 0.09 0.03 -0.16 0.06 -0.23 0.05 0.05 0.11 -0.27 0.16 0.20 0.09 -0.13 0.00 -0.36 -0.12 -0.05 0.04 0.20 0.29 0.07 -0.20 -0.14 0.13 0.10 0.09 0.02 -0.02 -0.02 -0.02 -0.06 -0.00 0.04 0.06 0.00 0.04 0.04 0.06 -0.07 0.09 -0.15 -0.15 0.05 0.06 0.05 0.00 -0.15 -0.05 -0.06 -0.07 0.05 -0.07 0.04 0.07 -0.01 -0.04 0.02 -0.04 0.02 0.01 -0.02 0.02 0.07 0.01 -0.08 -0.01 -0.02 0.00 -0.02 -0.01 -0.02 -0.02 0.02 -0.03 -0.05 0.04 -0.00 -0.05 0.05 -0.02 -0.04 0.05 0.02 0.01 -0.04 -0.02 -0.04 0.03 0.05 -0.06 -0.02 -0.03 0.01 0.02 0.02 -0.04 -0.03 0.03 0.02 -0.00 0.02 0.00 0.02 0.03 0.03 0.00 0.04 -0.00 0.05 0.00 -0.00 -0.00 0.02 -0.01 0.02 0.00 -0.00 0.00 0.02 -0.01 0.01 -0.01 -0.01 -0.01 -0.01 -0.01 -0.00 -0.01 -0.01 -0.00 -0.01 -0.01 -0.00 -0.01 -0.01 0.00 -0.02 -0.01 -0.00 -0.01 -0.04 0.06 -0.02 -0.08 0.06 0.03 -0.04 -0.13 0.04 0.09 -0.02 0.03 0.04 -0.04 0.07 0.49 0.14 0.22 -0.25 -0.40 -0.34 -0.30 0.33 0.10 -0.06 -0.05 0.05 0.00 -0.01 0.05 -0.01 0.07 -0.01 -0.01 -0.03 -0.01 -0.00 -0.02 -0.01 -0.01 -0.00 -0.01 -0.01 -0.00 -0.01 -0.01 -0.00 -0.01 -0.00 0.00 -0.02 -0.01 -0.00 -0.03 -0.05 0.01 0.01 0.01 0.04 0.12 0.11 -0.05 0.03 -0.18 0.00 0.04 -0.04 0.04 -0.10 0.08 0.19 -0.00 -0.03 -0.01 -0.05 0.05 -0.01 -0.00 0.03 -0.05 -0.02 0.10 -0.01 -0.05 0.05 -0.01 -0.07 0.06 0.02 0.09 -0.04 -0.07 0.01 -0.02 0.02 0.08 -0.02 -0.04 0.02 0.02 -0.02 0.12 0.09 -0.01 0.01 0.03 -0.03 0.12 0.10 0.02 0.10 0.08 -0.04 0.01 0.03 0.02 0.03 0.04 -0.03 0.01 0.04 -0.01 -0.02 -0.11 -0.00 0.00 -0.16 -0.05 -0.06 -0.17 -0.08 -0.06 -0.06 -0.01 -0.13 -0.05 -0.02 -0.17 0.05 0.06 -0.00 0.04 -0.05 -0.00 0.13 -0.02 0.15 -0.02 -0.03 -0.11 0.22 -0.12 -0.18 -0.04 0.11 -0.03 0.14 0.06 -0.05 0.03 -0.05 -0.15 0.01 0.07 0.11 -0.09 -0.09 -0.10 0.05 -0.04 0.14 0.14 0.06 0.12 0.07 -0.07 0.02 -0.02 -0.05 0.03 -0.19 -0.06 -0.08 -0.24 -0.09 -0.03 -0.03 -0.01 -0.15 -0.03 -0.00 -0.25 0.19 0.15 0.03 -0.01 0.05 0.01 0.02 -0.05 0.06 -0.06 0.05 0.03 0.03 -0.07 -0.01 0.01 -0.12 -0.03 0.05 0.06 0.10 0.13 0.16 -0.04 -0.02 -0.08 -0.05 0.00 -0.07 -0.02 -0.01 -0.09 -0.02 -0.12 -0.01 -0.11 0.01 0.03 -0.12 0.03 0.06 0.02 0.01 -0.09 -0.08 0.04 0.09 0.02 -0.00 0.15 0.07 0.03 0.04 -0.08 -0.08 0.22 0.01 0.02 -0.11 0.08 -0.01 0.04 -0.02 -0.00 -0.12 -0.01 -0.03 -0.10 -0.02 -0.04 -0.12 0.00 -0.01 0.03 0.02 -0.01 0.01 -0.00 -0.02 0.01 0.02 0.01 0.00 -0.01 -0.01 -0.01 -0.00 0.02 0.00 -0.03 0.03 -0.07 -0.01 -0.02 -0.09 0.14 -0.11 0.09 -0.06 -0.06 -0.08 -0.12 -0.27 0.05 0.00 0.21 0.17 -0.07 -0.07 -0.15 -0.33 -0.09 0.16 -0.20 0.00 0.10 0.09 0.07 0.30 0.01 0.01 -0.12 0.17 -0.01 0.13 -0.00 -0.03 -0.09 0.03 -0.02 0.02 -0.01 -0.03 0.01 0.03 0.02 0.00 -0.02 -0.01 -0.02 -0.01 0.04 0.00 0.03 -0.02 0.06 0.03 0.02 -0.05 -0.00 -0.00 -0.06 -0.05 0.09 0.08 0.18 0.02 0.18 -0.00 -0.01 0.00 -0.07 -0.06 -0.07 -0.01 -0.03 -0.11 -0.04 -0.00 -0.11 0.01 -0.01 -0.12 0.03 -0.14 -0.03 -0.11 -0.00 0.05 -0.16 0.05 0.07 0.02 0.03 0.05 -0.11 0.07 0.12 -0.00 0.03 -0.07 -0.02 0.00 -0.05 0.07 0.05 -0.11 0.05 0.00 0.07 -0.02 -0.01 -0.06 0.05 -0.01 0.08 0.05 -0.01 0.07 0.05 -0.01 0.08 -0.01 0.01 -0.03 -0.02 -0.01 -0.03 -0.00 0.01 -0.03 -0.03 -0.02 -0.01 -0.00 -0.00 0.00 -0.02 -0.01 0.01 -0.01 -0.00 -0.13 0.09 0.01 -0.15 0.10 -0.11 0.09 0.02 -0.17 -0.04 -0.02 -0.26 -0.03 0.04 0.20 0.24 -0.09 -0.08 -0.14 -0.38 -0.11 0.20 -0.28 0.01 0.13 -0.02 -0.00 -0.14 0.06 0.01 0.09 -0.06 -0.02 -0.15 0.05 -0.01 0.07 -0.04 -0.01 -0.04 0.01 0.02 -0.03 -0.04 -0.03 -0.01 0.01 0.00 0.02 -0.03 -0.01 0.03 0.03 -0.00 0.07 -0.02 0.03 -0.02 0.02 -0.02 -0.02 -0.02 0.07 0.05 -0.09 -0.02 0.02 -0.00 0.00 0.01 -0.01 0.00 0.03 -0.06 0.00 -0.08 -0.07 -0.01 -0.03 -0.04 -0.04 -0.00 0.09 -0.08 -0.07 -0.05 0.17 -0.02 0.07 -0.09 -0.06 -0.05 0.00 0.05 0.11 -0.09 -0.03 0.01 0.02 0.01 0.00 0.01 -0.00 0.03 0.02 0.02 0.02 0.00 0.00 0.01 -0.01 -0.01 0.02 -0.01 0.00 0.01 -0.02 0.00 0.02 -0.02 -0.00 -0.00 0.00 -0.00 -0.01 0.00 -0.00 0.00 -0.00 -0.01 -0.00 -0.01 -0.00 -0.00 -0.00 0.00 -0.01 -0.00 0.00 -0.13 0.06 0.02 0.02 -0.12 -0.00 -0.05 -0.03 -0.04 0.22 -0.18 0.13 0.23 -0.08 -0.27 -0.10 -0.16 -0.06 -0.13 0.34 0.36 0.07 0.42 -0.27 0.08 -0.11 -0.07 0.02 0.02 0.01 0.03 -0.00 0.01 0.02 -0.02 -0.02 0.01 -0.01 0.00 -0.01 0.00 -0.00 0.00 -0.00 -0.01 -0.01 -0.01 -0.00 0.00 0.00 0.00 -0.01 -0.00 0.01 0.01 0.02 -0.00 -0.03 -0.03 -0.02 0.09 -0.06 -0.14 -0.10 0.09 -0.00 -0.01 0.00 -0.01 -0.12 0.13 0.24 0.04 0.11 -0.01 0.05 -0.01 0.07 0.05 -0.02 0.02 -0.01 0.02 -0.00 0.01 0.07 0.02 0.10 -0.04 -0.02 0.01 -0.00 0.03 -0.04 0.03 -0.02 -0.02 -0.01 0.00 -0.10 -0.07 0.04 -0.08 -0.03 -0.10 -0.10 -0.19 0.08 0.04 -0.03 -0.01 -0.05 -0.06 -0.06 0.09 -0.02 0.08 0.06 -0.06 0.10 0.11 -0.10 0.08 -0.03 0.12 -0.12 -0.05 0.03 -0.16 0.08 0.08 -0.13 -0.07 -0.06 -0.03 0.09 0.02 0.02 -0.02 0.01 0.09 0.11 -0.06 -0.02 -0.06 0.07 -0.00 -0.08 0.06 -0.04 0.02 0.04 0.04 0.05 0.17 0.02 0.02 -0.09 -0.13 0.12 -0.03 0.01 0.23 -0.03 -0.06 0.01 0.02 0.03 -0.03 0.00 0.18 0.07 -0.09 0.02 -0.06 -0.08 -0.13 0.07 -0.01 0.14 -0.14 0.05 -0.21 0.18 0.15 -0.17 -0.15 -0.13 -0.02 0.18 0.02 0.08 -0.06 0.02 0.22 -0.15 -0.08 -0.16 0.23 0.17 0.18 0.03 -0.03 -0.03 -0.02 0.06 0.06 -0.17 -0.02 -0.01 -0.02 0.02 0.04 -0.01 0.01 0.04 -0.03 -0.05 -0.06 -0.03 0.02 0.03 -0.02 -0.13 0.03 0.11 -0.19 -0.01 -0.06 -0.11 -0.04 0.01 0.13 -0.10 -0.08 -0.03 0.06 0.06 0.17 -0.08 -0.00 0.02 0.02 -0.02 -0.00 -0.01 0.03 0.01 0.03 0.01 -0.01 -0.01 -0.01 -0.02 -0.01 0.02 -0.01 0.01 0.01 -0.02 0.02 0.03 -0.03 0.01 -0.00 0.02 -0.02 -0.01 0.01 -0.03 0.01 0.02 -0.02 -0.01 -0.01 -0.00 0.02 0.01 0.01 -0.00 0.00 0.02 -0.13 -0.01 0.08 0.03 -0.25 0.04 0.15 -0.14 0.11 0.19 -0.23 0.10 0.14 -0.33 -0.13 -0.01 0.05 0.02 -0.04 -0.19 -0.23 -0.16 -0.23 0.08 0.04 0.11 -0.12 0.00 0.01 0.02 0.01 -0.03 -0.00 -0.00 -0.03 -0.02 0.01 -0.01 0.02 -0.02 0.01 -0.04 0.03 0.03 -0.03 -0.03 -0.02 -0.00 0.03 0.01 0.02 -0.01 0.00 0.04 0.00 -0.00 0.01 -0.01 -0.00 -0.01 0.19 -0.01 0.01 0.01 -0.02 0.01 0.03 0.01 0.03 -0.10 0.07 0.15 -0.03 -0.16 -0.03 -0.00 0.00 -0.01 -0.00 0.00 -0.01 0.01 0.00 -0.00 -0.01 0.00 -0.00 -0.01 0.01 0.01 -0.00 -0.00 0.00 0.01 -0.01 0.01 -0.00 -0.00 0.00 0.01 0.04 -0.05 -0.03 -0.07 0.21 0.04 0.27 -0.13 -0.08 -0.08 0.01 -0.01 -0.10 0.24 -0.06 -0.05 -0.09 -0.17 -0.07 -0.11 -0.11 -0.10 -0.18 -0.01 0.08 -0.07 -0.00 0.07 -0.09 0.08 0.08 -0.05 -0.00 0.01 -0.01 0.11 0.03 0.02 0.06 0.02 0.05 -0.01 0.01 -0.00 0.02 0.00 -0.00 -0.00 0.00 0.00 -0.02 0.00 -0.01 -0.02 0.00 0.01 0.00 0.01 0.03 -0.01 0.01 0.01 -0.03 0.01 0.01 -0.01 -0.01 0.00 0.01 -0.13 -0.29 -0.08 -0.17 0.00 0.08 -0.09 0.42 -0.19 0.00 -0.14 -0.05 0.08 -0.10 0.15 0.16 -0.06 -0.07 -0.04 0.01 0.15 0.03 0.05 0.05 0.01 0.11 -0.01 0.01 -0.01 -0.01 -0.00 0.01 -0.02 0.14 -0.03 0.16 -0.06 -0.05 0.04 0.03 -0.07 -0.04 0.01 0.06 -0.05 0.06 -0.02 -0.02 0.00 -0.10 -0.03 0.03 0.07 0.07 -0.11 0.06 -0.10 -0.05 -0.04 -0.11 0.11 0.07 0.03 0.00 0.01 0.11 -0.04 -0.03 0.03 -0.02 -0.03 0.14 -0.10 -0.00 -0.05 -0.10 -0.04 0.15 -0.16 0.01 -0.13 -0.05 -0.01 -0.07 -0.02 -0.01 -0.05 -0.01 0.08 -0.04 0.02 0.05 -0.05 0.06 0.09 -0.01 0.04 -0.04 -0.01 0.04 -0.05 0.03 0.05 -0.02 -0.01 0.01 -0.00 0.05 0.01 0.01 0.03 0.01 0.02 -0.18 0.13 0.18 0.09 -0.28 0.09 -0.01 -0.03 0.04 -0.18 -0.05 -0.14 -0.18 -0.10 0.05 0.03 0.13 0.25 -0.13 0.13 0.11 -0.31 0.16 0.07 0.06 0.03 -0.01 0.20 -0.09 0.05 -0.15 -0.01 -0.06 -0.14 0.01 -0.00 -0.05 -0.02 0.04 -0.03 0.04 -0.06 0.07 0.09 -0.03 -0.05 -0.02 0.01 0.08 0.01 0.02 0.03 -0.01 0.05 0.02 -0.01 0.03 -0.02 -0.02 -0.02 -0.01 0.07 0.01 0.06 -0.04 0.01 -0.05 -0.04 -0.02 -0.01 0.00 0.02 -0.03 0.02 -0.00 -0.06 0.06 0.03 -0.05 0.05 -0.05 -0.04 0.18 0.01 0.17 -0.04 0.05 -0.04 -0.13 -0.12 -0.02 -0.01 -0.01 -0.01 0.06 0.03 -0.01 -0.00 0.02 0.07 -0.06 0.00 0.01 -0.04 0.00 0.10 -0.07 0.00 -0.04 -0.02 0.01 -0.00 -0.00 0.01 -0.03 -0.00 0.02 -0.02 0.01 -0.00 -0.04 0.04 0.02 -0.00 0.01 -0.01 0.00 0.01 -0.02 0.01 0.01 -0.00 -0.00 0.00 -0.00 0.02 0.00 0.00 0.01 0.00 0.01 -0.02 0.03 -0.07 -0.00 0.28 -0.01 0.24 -0.04 0.09 0.34 0.02 0.26 0.25 -0.21 -0.15 -0.13 -0.14 -0.24 -0.11 -0.19 -0.29 0.15 -0.29 -0.04 -0.04 -0.08 -0.01 0.07 -0.06 0.00 -0.05 0.01 -0.00 -0.02 0.01 0.04 -0.02 -0.02 -0.01 -0.00 0.01 -0.02 0.02 0.03 -0.00 -0.01 -0.00 0.01 0.02 -0.00 0.00 0.01 -0.00 0.01 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.01 -0.00 0.01 -0.00 0.01 0.00 0.00 0.01 0.00 0.00 -0.00 0.00 -0.01 -0.00 0.00 -0.00 -0.01 0.01 0.01 0.00 -0.00 0.00 0.01 -0.01 0.00 -0.01 -0.00 -0.00 -0.00 0.00 0.01 0.00 0.00 -0.00 0.01 -0.01 -0.01 -0.00 -0.01 -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 0.00 -0.01 -0.00 0.00 -0.00 -0.01 0.00 -0.02 0.01 -0.00 0.00 -0.09 0.15 0.14 0.09 -0.14 -0.13 0.09 -0.14 -0.12 -0.09 0.14 0.13 0.00 -0.00 -0.01 -0.01 0.02 0.02 0.00 -0.02 0.01 0.01 -0.00 0.02 0.01 -0.01 0.01 0.00 -0.02 -0.00 -0.00 -0.00 0.00 -0.01 -0.01 -0.01 -0.01 -0.01 0.00 -0.00 0.01 0.01 0.01 -0.01 0.00 0.01 -0.00 0.02 0.01 0.00 0.03 0.01 0.01 0.02 -0.19 0.30 0.27 0.18 -0.30 -0.26 0.19 -0.30 -0.28 -0.19 0.32 0.28 0.00 -0.00 -0.01 -0.02 0.03 -0.03 -0.05 -0.04 0.01 0.01 -0.05 -0.00 -0.03 0.02 -0.06 0.16 0.02 0.03 0.01 0.01 -0.01 0.05 -0.02 -0.04 -0.03 0.09 -0.07 -0.06 0.14 0.19 0.02 -0.02 0.07 0.08 -0.08 0.06 -0.10 -0.04 -0.06 0.06 0.05 0.10 0.05 0.03 -0.05 0.14 -0.09 -0.10 -0.07 0.03 -0.02 -0.01 0.03 0.01 -0.17 0.02 -0.02 0.03 0.01 0.00 -0.00 0.01 0.00 0.02 0.00 -0.02 0.01 -0.00 -0.00 0.03 -0.02 -0.02 0.00 -0.00 0.01 0.01 -0.02 -0.00 -0.01 0.01 0.01 -0.01 0.01 0.01 -0.00 -0.02 -0.02 -0.01 -0.00 -0.00 -0.19 0.28 0.30 -0.02 -0.28 0.13 0.19 -0.02 0.28 0.12 -0.14 0.13 0.05 -0.32 -0.02 -0.07 -0.06 -0.02 -0.21 -0.08 -0.19 -0.08 -0.16 0.02 0.10 0.11 0.09 -0.04 0.04 0.02 0.03 -0.01 0.01 0.00 -0.00 -0.01 0.01 0.03 0.00 0.02 -0.03 -0.01 -0.03 0.01 0.03 -0.01 0.03 0.02 0.01 -0.03 -0.03 -0.01 0.00 -0.00 0.01 -0.00 0.01 -0.02 -0.02 -0.01 0.03 -0.05 -0.12 0.05 -0.15 -0.02 -0.03 0.00 -0.06 0.01 -0.05 -0.02 0.02 -0.06 0.21 0.02 0.06 -0.02 -0.01 0.04 -0.03 0.01 0.03 -0.01 0.00 0.02 0.03 -0.02 -0.03 -0.01 0.00 0.01 -0.00 0.03 -0.05 -0.03 0.02 -0.01 -0.01 0.01 0.14 0.05 -0.05 0.06 -0.02 0.03 0.34 0.10 -0.12 0.02 -0.20 -0.10 -0.03 -0.12 0.05 -0.02 0.12 -0.04 -0.06 0.05 0.13 -0.07 0.24 0.00 -0.00 -0.01 -0.01 0.03 0.01 0.01 -0.01 -0.02 0.01 -0.01 -0.01 -0.00 0.02 0.02 0.01 -0.01 -0.00 -0.01 0.04 -0.03 0.01 0.07 -0.02 0.05 0.03 0.09 -0.01 0.01 0.01 -0.03 -0.04 0.05 0.01 -0.04 0.03 -0.09 -0.05 -0.09 -0.01 -0.10 0.05 -0.01 -0.02 -0.01 -0.09 0.09 -0.07 -0.27 -0.00 -0.46 -0.14 -0.08 -0.32 -0.14 -0.06 -0.13 -0.03 0.05 0.02 0.03 -0.01 -0.03 0.01 -0.03 -0.02 -0.01 0.04 0.04 0.02 -0.02 -0.01 -0.00 0.00 0.01 -0.01 -0.00 -0.00 0.05 -0.01 -0.02 0.02 -0.05 -0.00 -0.02 0.01 -0.03 -0.08 0.05 -0.05 -0.01 -0.00 0.06 0.03 0.03 -0.01 -0.01 0.02 -0.02 0.01 0.00 -0.02 -0.00 0.01 0.02 0.00 -0.02 0.01 -0.03 0.01 0.00 0.01 -0.03 -0.01 0.05 -0.03 -0.03 0.01 0.02 0.01 -0.06 0.00 -0.04 0.06 0.06 0.03 0.04 0.01 0.13 -0.11 -0.05 -0.13 -0.13 0.01 -0.19 0.08 -0.03 0.21 -0.07 -0.04 -0.10 -0.04 -0.00 0.04 0.03 -0.00 0.01 0.03 -0.04 0.05 0.05 0.03 -0.02 0.03 -0.01 0.01 0.05 0.05 0.02 -0.00 0.00 -0.03 0.01 0.02 -0.02 0.01 0.03 0.05 -0.03 -0.01 -0.01 -0.03 -0.00 0.04 0.03 -0.02 0.04 -0.05 -0.03 -0.04 -0.01 -0.05 0.04 -0.07 0.02 0.03 -0.01 0.01 -0.02 0.22 -0.00 0.44 -0.14 -0.06 -0.22 0.27 -0.01 0.55 0.11 -0.04 0.02 0.05 -0.05 0.02 0.07 -0.00 -0.04 -0.00 -0.04 -0.05 0.05 0.07 0.02 -0.03 0.01 0.05 0.01 0.05 0.01 -0.01 0.02 0.01 -0.00 0.04 0.00 0.01 0.03 0.01 0.01 -0.02 0.01 -0.01 0.01 -0.00 0.06 -0.00 0.04 -0.11 -0.02 -0.09 -0.01 -0.04 -0.06 -0.02 0.06 0.03 0.07 -0.07 0.05 -0.25 0.06 0.01 0.00 -0.04 -0.02 0.32 -0.21 -0.20 0.02 -0.01 -0.00 0.02 -0.01 0.00 0.05 -0.03 0.00 -0.01 -0.00 -0.01 0.03 0.00 0.03 0.01 -0.00 0.04 -0.02 0.00 -0.04 -0.00 0.01 0.01 0.01 -0.00 -0.01 -0.00 0.00 -0.01 -0.00 0.01 -0.01 -0.01 0.00 0.01 -0.00 0.00 0.00 -0.00 -0.01 -0.00 -0.03 -0.17 -0.17 -0.02 0.14 -0.09 -0.07 0.06 -0.02 -0.08 0.04 -0.04 -0.04 0.15 0.09 0.08 -0.05 0.07 0.03 -0.10 -0.04 0.06 -0.13 0.10 -0.62 0.15 0.22 0.04 -0.00 0.01 -0.04 0.01 -0.06 0.04 0.01 0.06 -0.05 -0.02 -0.10 -0.02 0.01 -0.01 -0.01 0.02 0.00 -0.02 0.01 0.02 0.00 0.01 0.01 -0.00 -0.02 -0.00 0.00 0.00 0.01 -0.04 -0.05 -0.01 -0.08 -0.09 0.06 -0.03 -0.02 0.06 -0.13 -0.01 -0.04 0.08 0.06 0.11 -0.05 -0.01 0.04 0.13 0.11 -0.13 0.07 0.08 -0.03 0.03 -0.02 -0.06 -0.01 0.01 0.03 0.01 -0.02 0.02 0.06 0.05 0.04 -0.02 -0.03 0.02 0.03 0.01 -0.01 -0.01 -0.04 0.02 -0.08 -0.05 0.00 0.18 0.05 -0.01 0.03 -0.08 -0.00 -0.08 0.05 0.05 0.12 0.02 -0.07 0.08 0.14 -0.02 0.10 0.07 -0.11 0.08 -0.00 -0.03 -0.03 -0.03 0.01 -0.04 0.03 -0.05 -0.06 -0.03 0.04 -0.05 0.02 -0.03 -0.09 -0.07 -0.04 0.08 0.12 -0.03 0.08 -0.07 -0.07 0.02 0.11 0.27 -0.13 -0.17 -0.09 -0.11 -0.08 0.13 0.14 -0.07 0.19 -0.19 -0.04 -0.09 -0.09 -0.11 0.11 0.07 0.04 0.03 -0.04 -0.10 -0.08 0.08 -0.21 0.07 -0.15 0.11 0.15 0.12 0.32 0.05 -0.14 0.03 0.01 -0.12 0.04 0.02 -0.06 0.05 0.07 -0.02 0.06 0.05 -0.09 -0.07 -0.04 -0.00 -0.00 0.00 -0.00 -0.01 -0.00 -0.01 -0.03 -0.00 -0.00 0.01 0.01 -0.02 -0.00 -0.00 -0.02 0.03 -0.08 -0.01 -0.00 -0.01 0.02 0.01 -0.02 0.01 0.01 -0.01 0.00 -0.00 -0.01 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.01 0.01 -0.00 -0.00 0.01 0.01 -0.00 -0.00 0.00 -0.03 0.00 -0.01 -0.03 0.04 0.03 -0.01 -0.02 -0.02 -0.02 -0.01 -0.02 0.00 0.04 0.04 0.02 0.01 -0.00 0.03 -0.05 0.06 0.01 0.03 -0.13 0.18 0.20 0.00 -0.02 0.01 0.01 -0.03 0.02 0.06 -0.07 -0.09 0.04 -0.08 -0.07 -0.07 0.14 0.11 0.01 0.01 -0.01 0.01 -0.01 -0.01 -0.00 0.01 0.03 -0.02 -0.02 -0.02 -0.01 -0.01 0.02 0.02 -0.01 0.03 -0.02 -0.00 -0.01 -0.01 -0.01 0.02 -0.00 0.01 0.01 0.02 -0.05 -0.02 -0.06 -0.06 -0.09 -0.06 0.02 0.03 -0.06 0.08 -0.15 0.18 -0.25 -0.16 0.14 -0.28 -0.19 0.21 -0.29 -0.30 0.16 -0.31 -0.30 -0.09 0.18 0.14 -0.00 0.00 -0.00 0.04 0.05 0.01 -0.06 -0.08 0.02 0.07 -0.04 -0.08 0.15 0.02 -0.03 0.05 0.07 0.07 0.00 -0.02 0.03 -0.17 -0.13 0.15 -0.08 -0.08 0.04 -0.01 0.04 0.08 0.00 -0.01 -0.04 -0.03 0.03 -0.02 -0.08 -0.05 -0.04 0.07 0.04 -0.06 -0.02 -0.02 0.01 0.02 -0.02 0.01 -0.08 -0.05 0.03 0.01 0.08 0.00 -0.02 -0.07 -0.02 -0.12 0.02 -0.01 0.07 0.03 -0.09 0.08 0.11 0.02 0.10 0.05 -0.06 0.04 0.03 0.02 -0.01 -0.03 0.02 -0.02 0.01 -0.03 -0.03 -0.03 0.01 -0.03 0.00 -0.03 -0.07 -0.02 -0.01 -0.12 -0.13 0.05 -0.08 0.09 0.09 -0.01 -0.14 -0.32 0.16 0.21 0.11 0.12 0.06 -0.16 -0.17 0.10 -0.22 0.21 0.04 0.09 0.08 0.12 -0.13 -0.11 -0.03 -0.01 0.08 -0.08 -0.04 0.03 -0.19 0.04 -0.24 0.07 -0.00 0.11 0.28 0.09 -0.06 -0.02 -0.01 -0.06 -0.03 -0.01 0.01 -0.01 -0.00 0.01 -0.01 -0.02 -0.08 -0.02 -0.01 -0.04 0.04 -0.05 -0.01 -0.03 0.00 -0.00 0.01 0.00 -0.04 -0.05 0.02 -0.02 -0.04 -0.00 -0.01 -0.01 -0.00 -0.02 0.00 0.04 -0.07 -0.12 0.01 0.20 -0.03 0.06 -0.05 0.12 -0.07 -0.02 -0.12 -0.10 -0.02 0.05 -0.03 0.03 0.10 0.22 -0.05 0.09 -0.00 0.09 -0.05 -0.02 -0.01 -0.02 0.01 0.02 0.00 -0.01 0.11 0.02 0.02 0.01 0.01 -0.00 0.02 0.00 -0.01 -0.01 -0.01 0.01 -0.00 -0.01 -0.00 -0.01 0.00 0.01 -0.01 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.01 0.01 0.00 0.00 0.39 0.03 -0.04 -0.03 0.07 -0.07 -0.00 -0.15 -0.17 0.02 -0.05 -0.06 -0.00 -0.11 -0.12 -0.09 0.16 -0.13 0.25 0.07 0.12 -0.04 0.21 -0.15 -0.19 0.37 0.38 -0.06 -0.03 -0.03 0.00 0.02 -0.01 0.03 -0.00 -0.01 -0.01 -0.04 -0.01 0.01 0.01 0.00 0.01 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.01 0.00 0.00 -0.00 0.00 -0.02 0.01 0.01 0.00 0.04 -0.03 0.01 -0.13 -0.03 -0.05 0.14 0.06 -0.03 0.07 -0.10 -0.02 -0.08 0.05 0.11 -0.06 0.02 0.08 -0.07 0.02 0.05 -0.07 -0.10 -0.05 0.02 0.06 0.08 -0.02 -0.00 -0.03 0.04 -0.06 -0.01 -0.01 -0.07 -0.17 -0.03 -0.01 0.03 -0.10 0.08 0.00 -0.08 0.10 -0.16 0.37 -0.04 0.06 0.07 0.06 0.04 0.06 0.05 0.08 0.03 -0.03 0.11 -0.11 -0.03 0.00 -0.10 -0.06 -0.08 -0.00 0.05 0.01 -0.00 0.02 -0.02 -0.02 0.03 -0.03 0.00 -0.03 -0.00 0.00 -0.02 -0.01 -0.03 0.00 0.03 -0.05 0.03 0.04 -0.24 -0.12 -0.01 0.03 0.04 0.05 0.06 0.10 0.12 0.04 0.04 0.04 -0.11 -0.02 -0.14 -0.00 -0.01 -0.05 0.10 -0.03 -0.03 0.17 -0.14 -0.09 -0.22 0.13 0.01 0.11 0.11 0.12 0.30 0.02 0.29 -0.03 -0.06 0.13 -0.01 -0.02 -0.07 0.02 -0.01 -0.07 0.02 -0.08 -0.04 0.07 -0.07 -0.04 -0.03 -0.00 0.02 -0.00 0.00 -0.01 0.00 0.00 0.00 0.07 -0.13 -0.06 -0.03 -0.00 -0.00 0.03 0.01 -0.01 -0.14 0.21 -0.12 -0.05 0.03 -0.06 -0.01 0.00 0.02 -0.01 0.01 0.01 -0.02 -0.02 -0.02 0.00 0.01 0.02 -0.01 0.00 -0.01 0.01 -0.01 0.00 -0.01 -0.02 -0.04 -0.01 -0.00 0.01 -0.03 0.01 -0.00 -0.01 0.06 0.16 0.19 -0.17 -0.04 -0.04 0.08 0.05 -0.08 -0.01 0.10 -0.00 0.13 -0.06 -0.06 0.01 -0.04 0.17 -0.05 0.13 0.00 -0.14 -0.02 0.01 -0.08 0.04 0.05 -0.11 0.09 -0.01 0.09 -0.00 -0.01 0.04 0.04 0.09 -0.01 -0.08 -0.00 0.01 0.01 -0.06 -0.03 -0.01 0.01 0.01 0.01 0.01 0.02 0.02 0.01 0.01 0.01 -0.02 -0.00 -0.03 -0.00 -0.00 -0.01 0.02 -0.01 -0.01 0.04 -0.03 -0.02 -0.03 0.02 0.01 -0.13 -0.03 -0.12 -0.20 -0.02 -0.11 -0.26 0.16 -0.37 0.07 0.01 0.21 -0.06 -0.01 0.22 -0.06 0.25 0.11 -0.21 0.19 0.09 0.08 0.00 -0.05 0.00 -0.00 0.01 -0.00 -0.01 -0.00 0.12 -0.03 -0.05 0.09 -0.07 0.00 -0.05 -0.02 0.01 0.23 0.10 -0.07 0.02 0.02 -0.04 0.01 -0.02 -0.02 0.04 -0.01 -0.02 0.04 0.06 0.04 -0.01 -0.03 -0.04 -0.00 0.00 0.01 -0.02 0.03 0.00 0.02 0.01 0.07 0.01 0.01 -0.02 0.04 0.13 -0.04 -0.13 0.07 -0.07 -0.08 -0.11 0.01 -0.17 0.14 0.12 -0.05 -0.18 0.07 -0.01 0.19 0.09 -0.05 -0.15 0.02 -0.06 -0.08 -0.07 0.18 0.06 0.08 -0.04 -0.13 0.11 0.03 0.08 -0.04 -0.08 -0.08 0.02 -0.00 0.10 -0.13 -0.21 -0.05 -0.06 0.03 -0.02 -0.02 0.11 0.09 0.02 -0.00 -0.04 -0.05 -0.01 -0.02 -0.04 -0.01 -0.03 -0.04 0.02 0.02 0.04 0.02 0.01 0.02 -0.05 0.03 -0.00 -0.09 0.08 0.05 0.01 0.22 0.07 -0.12 0.10 0.20 0.13 -0.22 0.20 0.02 -0.09 0.15 -0.14 -0.14 0.02 -0.12 -0.10 -0.02 0.08 0.02 -0.04 0.13 0.07 -0.09 -0.19 -0.11 -0.01 0.02 -0.02 0.05 -0.01 -0.01 -0.00 0.04 -0.17 -0.00 0.12 -0.08 0.01 -0.06 -0.04 -0.05 -0.04 -0.10 -0.01 -0.00 0.01 -0.08 0.02 -0.05 -0.03 0.01 -0.01 -0.00 0.11 0.12 0.12 -0.02 -0.08 -0.09 0.02 -0.01 0.03 -0.06 0.07 -0.07 0.08 0.08 0.09 0.00 0.04 -0.06 -0.01 0.12 -0.03 -0.10 0.15 -0.08 -0.03 -0.11 -0.03 0.12 0.04 -0.03 -0.09 0.22 0.09 0.06 -0.08 0.04 -0.21 0.12 0.09 0.00 -0.08 -0.05 -0.07 -0.00 -0.04 0.04 0.08 -0.06 -0.06 -0.01 -0.02 0.06 0.01 0.03 -0.04 -0.08 0.06 0.07 0.00 0.05 -0.12 -0.03 0.07 0.22 0.11 0.10 -0.03 -0.10 -0.14 -0.02 -0.05 -0.09 -0.01 -0.05 -0.09 0.09 0.02 0.12 0.04 0.00 0.06 -0.09 0.03 0.03 -0.13 0.13 -0.02 -0.07 0.21 0.06 0.15 0.00 0.01 0.05 0.20 0.20 -0.18 0.26 0.16 0.06 0.08 -0.06 0.03 0.05 -0.06 -0.01 -0.06 0.04 -0.04 -0.09 0.05 0.06 0.07 -0.03 -0.01 0.01 -0.02 0.00 0.01 0.00 0.02 -0.00 -0.02 0.01 0.01 -0.00 0.00 0.01 0.03 0.02 0.07 -0.06 -0.00 0.01 -0.02 -0.01 0.02 0.01 0.02 -0.01 -0.02 -0.03 -0.03 -0.04 0.01 0.03 0.03 -0.02 0.01 -0.02 0.02 -0.03 0.04 -0.02 -0.05 -0.01 0.00 -0.02 0.03 0.03 0.02 -0.01 0.01 0.00 0.07 0.00 -0.05 -0.00 -0.09 0.04 0.03 -0.02 -0.09 0.00 -0.03 0.09 -0.04 0.05 -0.04 -0.01 0.03 0.00 0.02 0.03 0.09 -0.08 0.20 0.18 -0.06 -0.22 0.05 -0.19 0.25 -0.08 0.24 -0.21 -0.22 0.10 -0.03 -0.09 0.09 0.08 0.01 -0.06 -0.04 -0.00 -0.04 0.02 0.04 0.05 0.01 0.03 0.04 0.01 0.01 0.02 -0.05 0.00 -0.05 -0.03 0.01 -0.03 0.01 -0.00 -0.02 0.00 -0.04 0.05 0.05 0.02 0.01 -0.10 0.02 0.00 -0.09 -0.09 -0.09 0.01 -0.00 -0.07 0.05 0.17 -0.17 -0.14 0.10 -0.22 0.19 -0.15 0.25 -0.07 -0.24 0.17 -0.06 0.16 -0.23 -0.05 0.04 -0.11 0.03 0.04 0.00 0.00 -0.06 -0.00 0.14 0.03 -0.01 -0.04 0.03 0.07 0.01 -0.05 0.03 0.02 0.01 -0.05 -0.03 0.09 0.01 0.09 -0.07 -0.13 -0.04 -0.08 -0.06 0.03 0.12 0.11 -0.12 0.06 -0.08 0.02 -0.16 0.20 0.01 -0.16 0.05 0.02 -0.15 0.17 0.11 0.09 -0.03 -0.01 0.05 0.02 -0.09 -0.07 -0.01 0.03 -0.01 -0.04 -0.07 0.09 0.01 0.01 -0.05 -0.01 -0.09 0.07 0.07 -0.00 -0.02 -0.02 -0.01 -0.01 0.01 -0.03 -0.01 0.00 0.03 0.01 0.02 -0.04 0.01 -0.04 0.04 0.03 -0.01 0.00 0.02 -0.00 0.29 0.00 -0.24 0.00 0.10 -0.11 0.07 0.14 0.18 0.06 0.12 0.15 0.03 0.03 0.07 -0.16 0.00 -0.13 -0.19 0.06 -0.12 -0.02 -0.01 -0.05 -0.13 -0.19 0.29 0.18 0.12 0.06 0.04 -0.03 -0.02 -0.07 0.09 -0.00 -0.07 0.13 0.10 -0.01 -0.02 -0.00 0.04 -0.01 0.01 -0.03 -0.01 -0.06 0.04 0.01 -0.04 0.01 -0.04 0.03 0.03 -0.04 0.10 -0.04 -0.06 -0.01 -0.00 -0.01 0.00 0.03 0.04 0.00 -0.01 0.04 0.04 0.00 -0.01 0.01 0.01 0.00 -0.01 -0.14 -0.02 0.12 0.20 0.00 -0.06 -0.00 -0.17 -0.03 0.02 0.06 0.09 -0.16 0.03 -0.08 0.02 0.22 -0.13 0.00 -0.17 -0.01 0.03 0.18 -0.17 0.04 0.03 -0.01 0.01 0.00 0.02 -0.03 -0.02 -0.00 0.00 -0.01 -0.01 -0.01 0.01 -0.00 -0.00 -0.01 -0.01 -0.01 0.01 0.01 0.00 0.00 0.00 -0.00 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 -0.01 -0.00 -0.01 0.01 0.00 -0.00 0.00 0.00 0.00 0.27 -0.15 -0.13 -0.04 -0.19 -0.02 0.07 0.02 0.02 0.12 0.19 0.20 0.06 0.01 0.00 -0.30 0.17 -0.27 0.04 -0.01 -0.10 -0.07 0.06 -0.13 -0.05 0.41 -0.07 0.08 0.03 0.02 0.00 -0.02 -0.01 -0.03 0.01 -0.02 -0.01 0.03 0.00 -0.00 -0.00 -0.00 0.01 0.00 0.00 -0.01 -0.01 -0.01 0.01 0.00 -0.01 -0.00 0.00 0.01 0.00 -0.00 0.01 -0.00 -0.00 0.00 -0.01 -0.01 -0.01 -0.05 0.02 0.01 0.01 -0.00 -0.01 0.10 -0.06 0.07 -0.03 0.00 -0.07 0.01 -0.01 -0.00 -0.03 0.02 0.03 -0.02 0.01 -0.02 -0.00 -0.02 -0.02 0.03 -0.01 0.02 0.00 0.01 -0.02 -0.02 0.03 -0.03 -0.00 0.01 -0.02 -0.03 -0.01 0.03 0.18 0.08 0.27 0.09 -0.08 -0.05 0.06 0.03 -0.11 -0.04 0.10 -0.08 -0.10 -0.07 -0.17 -0.12 -0.02 0.17 -0.06 -0.06 0.07 0.11 0.05 0.02 -0.01 -0.01 0.06 0.01 0.11 -0.06 0.00 -0.07 0.03 0.04 0.06 -0.09 -0.12 -0.01 0.01 -0.05 0.02 0.04 -0.05 -0.03 -0.00 -0.02 -0.01 -0.02 -0.02 -0.04 -0.04 -0.01 0.00 0.00 0.04 -0.01 0.02 0.04 -0.01 0.02 0.03 -0.01 0.02 0.06 -0.01 -0.05 -0.03 -0.03 0.01 -0.00 0.08 -0.21 -0.20 0.01 -0.59 -0.22 -0.11 0.00 -0.11 -0.03 -0.04 -0.03 0.02 -0.07 0.11 -0.08 -0.05 0.20 -0.02 -0.07 -0.10 -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 0.01 -0.00 -0.01 0.00 -0.01 -0.00 -0.00 0.00 -0.01 0.00 0.01 0.00 -0.01 0.01 -0.00 0.01 -0.01 0.01 0.00 -0.01 0.01 0.00 0.01 0.04 -0.09 -0.08 -0.04 0.07 0.06 -0.04 0.05 0.07 0.06 -0.10 -0.11 0.06 -0.12 -0.09 -0.03 0.08 0.07 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.02 0.00 -0.00 -0.01 0.02 -0.00 -0.01 0.02 0.00 0.01 -0.03 -0.21 0.34 0.30 -0.22 0.36 0.34 -0.03 0.04 0.02 -0.05 0.04 0.03 -0.22 0.40 0.36 0.00 -0.01 0.00 -0.02 -0.02 -0.00 0.01 -0.03 0.00 0.09 0.01 -0.10 0.01 0.01 0.16 0.01 -0.05 0.03 0.01 0.02 0.02 0.00 -0.04 0.02 -0.13 0.14 0.07 -0.18 0.04 -0.17 -0.03 -0.08 -0.08 0.15 -0.06 0.09 0.08 0.06 0.00 -0.14 -0.11 -0.02 0.03 0.07 -0.01 0.15 0.12 -0.07 0.01 0.01 0.07 -0.02 -0.06 0.04 -0.07 -0.01 0.00 -0.06 -0.00 -0.02 0.03 0.00 0.06 0.05 0.05 0.01 -0.00 0.02 -0.09 -0.04 -0.01 -0.01 -0.02 0.02 -0.03 -0.00 -0.02 0.02 -0.03 0.03 -0.03 -0.00 -0.01 0.03 0.04 0.01 0.01 0.07 0.14 -0.04 -0.28 0.10 -0.16 -0.06 -0.09 -0.10 -0.09 -0.11 -0.14 -0.06 -0.05 -0.03 0.11 -0.04 0.04 0.23 -0.06 0.12 0.19 -0.03 0.06 0.33 -0.07 -0.15 0.24 0.15 0.02 -0.13 -0.02 -0.11 -0.12 0.02 -0.01 0.10 0.15 0.11 0.03 -0.01 -0.04 0.05 -0.03 -0.02 -0.05 -0.04 -0.05 -0.03 -0.04 -0.02 0.06 -0.03 -0.01 -0.00 -0.00 -0.00 -0.01 -0.01 -0.00 -0.04 0.04 -0.00 0.05 0.01 -0.03 -0.00 0.01 0.05 -0.03 0.03 -0.00 0.01 0.00 0.04 -0.01 -0.01 0.01 -0.04 0.05 0.01 -0.05 0.01 -0.05 -0.01 -0.03 -0.03 0.04 -0.02 0.03 0.02 0.02 0.01 -0.03 -0.06 0.00 0.02 0.02 0.01 0.05 -0.00 -0.03 -0.09 -0.03 -0.18 -0.04 0.04 0.03 0.11 -0.05 0.03 0.05 0.02 0.11 -0.08 -0.05 -0.22 -0.13 -0.01 -0.03 0.09 -0.01 0.23 0.05 0.02 0.01 0.02 -0.02 0.04 0.01 0.04 -0.03 0.03 -0.03 0.05 0.01 0.04 -0.04 -0.05 -0.02 -0.01 0.03 0.05 -0.03 -0.07 0.06 -0.05 -0.02 -0.04 -0.04 -0.02 -0.02 -0.03 -0.01 -0.02 -0.02 0.03 -0.01 0.01 0.07 -0.02 0.03 0.05 -0.01 0.02 0.10 -0.03 -0.04 0.10 -0.01 -0.01 0.38 -0.08 0.49 0.12 0.01 0.18 -0.30 -0.07 -0.33 -0.02 -0.04 -0.00 -0.01 -0.01 -0.04 0.10 -0.00 0.02 0.09 0.02 -0.02 -0.03 -0.04 -0.05 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.01 0.01 0.02 0.01 -0.00 0.01 0.00 -0.03 0.05 -0.07 0.00 -0.01 0.00 -0.01 -0.01 0.02 -0.02 0.03 -0.00 -0.01 -0.00 -0.03 -0.01 -0.01 -0.01 0.01 -0.01 0.01 0.01 0.01 0.01 0.00 -0.03 -0.00 0.02 0.01 0.01 0.02 -0.08 0.02 0.02 -0.03 -0.01 -0.02 0.04 -0.01 0.05 -0.02 -0.04 -0.01 0.04 -0.03 0.04 -0.01 0.07 -0.07 -0.00 0.05 -0.05 -0.02 -0.03 -0.03 0.11 0.09 0.05 -0.07 -0.01 0.03 -0.03 -0.06 0.04 -0.03 0.03 0.01 0.01 -0.04 0.00 -0.08 -0.07 0.00 0.03 -0.02 -0.02 0.03 -0.03 -0.01 -0.02 -0.03 0.00 0.01 -0.00 0.00 -0.00 -0.01 0.00 0.00 -0.01 0.04 -0.01 0.02 0.03 -0.00 0.01 0.04 -0.03 -0.01 0.06 -0.12 -0.01 -0.00 0.00 -0.13 0.06 0.04 0.06 -0.00 -0.04 0.17 -0.06 0.09 0.12 -0.09 0.10 0.08 -0.12 0.35 0.33 -0.16 0.35 0.29 -0.25 0.36 0.30 0.02 -0.01 0.04 0.03 0.03 0.01 -0.00 -0.01 0.00 0.04 -0.06 -0.15 0.05 -0.08 0.12 -0.00 -0.01 -0.00 0.01 0.02 0.05 0.11 0.07 -0.11 0.10 -0.18 0.09 -0.17 -0.04 0.02 0.04 0.09 0.05 -0.04 0.02 -0.05 -0.06 -0.03 -0.06 -0.16 0.26 0.01 -0.13 -0.07 -0.13 0.07 0.03 -0.06 -0.00 -0.01 -0.01 0.02 -0.01 0.04 0.00 -0.02 -0.00 -0.01 0.01 0.01 -0.00 -0.01 -0.01 -0.03 0.02 0.01 0.01 -0.00 0.01 -0.02 0.04 0.04 0.01 -0.02 -0.01 0.01 -0.01 -0.02 0.01 -0.01 0.00 0.01 0.00 -0.01 0.01 -0.03 -0.02 0.13 -0.25 0.06 -0.11 -0.39 0.07 0.01 0.22 0.31 -0.09 -0.16 -0.08 -0.06 0.04 0.16 0.00 -0.01 0.00 -0.12 0.02 -0.08 -0.06 0.02 -0.04 -0.07 0.18 -0.03 0.11 0.03 -0.03 0.02 -0.02 0.03 -0.03 0.02 0.01 -0.04 0.04 -0.01 -0.02 0.03 0.03 -0.02 0.03 0.01 -0.05 0.12 0.11 -0.05 0.12 0.10 -0.08 0.12 0.11 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.02 0.03 0.01 -0.02 -0.02 0.01 -0.01 0.01 -0.02 0.07 -0.11 0.07 -0.01 0.02 -0.01 -0.00 0.00 0.00 0.01 -0.00 -0.01 0.04 0.02 0.04 -0.00 -0.01 -0.01 -0.01 0.00 -0.00 -0.00 -0.01 0.00 0.03 -0.03 0.00 0.01 -0.00 0.01 -0.05 0.17 -0.02 -0.03 0.05 0.04 0.03 -0.07 0.00 -0.04 -0.01 0.02 0.02 -0.08 0.05 -0.05 -0.02 -0.12 0.11 -0.02 -0.04 0.05 0.03 0.02 -0.09 0.10 0.10 0.00 -0.01 -0.09 0.01 -0.04 -0.03 -0.03 0.01 -0.06 0.00 -0.03 0.02 0.07 -0.05 -0.04 -0.04 0.01 0.01 0.04 0.06 0.03 0.00 -0.02 -0.03 0.02 0.02 0.01 0.01 -0.01 -0.02 0.01 -0.00 0.02 -0.02 0.01 -0.00 -0.02 -0.00 0.00 -0.05 0.00 0.03 -0.13 0.23 0.02 0.06 -0.05 0.19 -0.13 -0.09 -0.20 -0.05 0.01 -0.31 -0.05 0.08 -0.01 0.03 0.00 -0.01 -0.27 0.25 0.22 -0.18 0.22 0.23 -0.15 0.30 0.32 0.00 -0.00 0.00 0.00 0.00 0.00 -0.13 0.21 0.08 0.01 -0.01 -0.03 -0.00 0.01 0.02 -0.04 0.11 -0.05 -0.01 0.01 -0.00 0.02 0.02 -0.01 0.02 -0.02 0.01 -0.00 0.05 0.04 -0.00 -0.01 -0.02 -0.00 0.00 -0.01 -0.00 -0.01 -0.00 0.01 -0.06 0.00 -0.02 -0.01 -0.02 -0.04 0.16 -0.04 -0.04 0.06 0.07 0.03 -0.06 0.01 0.26 -0.09 -0.14 -0.11 -0.22 0.05 0.22 -0.04 0.00 -0.07 -0.13 0.06 -0.01 -0.04 -0.07 0.02 -0.03 -0.03 0.00 -0.01 0.02 -0.01 -0.02 0.03 0.01 0.01 0.01 -0.02 -0.01 0.01 -0.01 0.02 0.01 0.01 -0.02 0.01 -0.01 0.08 0.04 0.01 -0.01 -0.00 -0.00 -0.02 -0.01 -0.00 -0.03 -0.03 0.02 -0.01 0.03 -0.04 0.01 -0.01 -0.02 -0.00 0.00 -0.03 0.04 0.02 -0.06 0.19 0.00 0.12 -0.42 -0.44 0.03 -0.31 -0.03 -0.02 -0.07 0.15 0.02 0.01 0.05 -0.02 -0.01 0.04 0.06 -0.05 -0.06 -0.00 -0.09 -0.07 0.06 -0.08 -0.12 -0.02 0.00 -0.04 -0.05 -0.05 -0.02 -0.02 0.03 0.01 0.04 -0.09 -0.01 0.01 -0.10 -0.01 0.02 0.01 0.00 0.00 0.00 0.00 -0.08 -0.07 0.05 -0.06 0.10 -0.12 0.07 -0.24 -0.10 0.01 0.06 0.09 0.03 -0.02 0.04 0.00 0.04 -0.03 -0.08 0.38 0.06 0.25 0.15 0.23 0.02 0.03 -0.02 -0.01 0.02 0.01 -0.01 -0.01 0.01 0.04 -0.00 -0.02 -0.03 -0.04 0.02 0.03 0.01 -0.02 -0.03 -0.02 0.01 0.01 -0.01 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.02 -0.01 -0.01 0.02 -0.01 0.01 -0.02 -0.02 -0.01 0.02 0.01 0.00 0.00 -0.17 0.06 -0.06 0.23 -0.46 -0.10 -0.03 0.03 -0.01 0.02 0.12 0.08 0.03 0.14 0.11 -0.08 0.04 -0.09 0.16 -0.03 0.06 0.11 0.00 0.00 -0.06 -0.27 -0.02 -0.00 0.04 -0.01 0.05 -0.06 -0.02 0.01 -0.06 0.03 -0.02 0.01 0.04 -0.03 0.05 0.03 0.03 -0.06 -0.03 -0.05 0.02 0.01 -0.01 -0.06 -0.04 0.01 0.01 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.01 0.01 -0.02 -0.01 -0.00 0.02 0.00 0.00 -0.01 0.03 -0.02 0.02 -0.00 -0.01 -0.03 0.00 -0.00 -0.00 -0.00 0.00 0.01 -0.01 0.00 -0.02 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.01 -0.02 -0.01 -0.02 0.01 0.02 0.03 0.03 0.02 0.06 0.01 -0.01 -0.02 0.00 0.01 0.00 -0.06 -0.02 -0.08 -0.02 0.01 -0.05 -0.06 -0.01 -0.10 0.06 0.00 0.10 -0.00 0.01 0.01 -0.00 0.00 -0.02 -0.01 -0.00 0.01 -0.01 0.00 -0.02 -0.01 -0.01 0.01 0.01 -0.00 -0.00 0.01 -0.00 0.00 -0.01 -0.01 -0.01 -0.00 0.01 0.01 -0.00 -0.00 -0.00 -0.00 0.00 0.01 -0.01 0.00 -0.01 0.01 -0.00 0.00 0.00 0.00 -0.01 0.03 0.00 -0.01 -0.00 0.02 0.03 0.01 0.00 0.02 0.34 0.01 0.58 0.34 0.03 0.60 -0.03 0.04 0.00 0.03 -0.05 -0.04 -0.06 0.03 0.02 -0.02 -0.02 -0.01 -0.00 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 -0.01 -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 0.01 0.00 0.01 0.01 0.01 -0.00 0.02 -0.00 0.00 0.00 0.01 0.00 -0.01 0.00 -0.00 -0.01 0.01 -0.00 -0.00 -0.01 -0.00 -0.01 -0.00 0.01 0.00 -0.02 0.01 0.00 0.01 -0.01 0.01 0.00 -0.03 0.05 0.05 0.04 -0.05 -0.06 -0.02 0.04 0.05 0.03 -0.03 -0.04 -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 0.00 -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 0.03 0.00 -0.01 -0.01 -0.01 0.02 0.00 0.05 0.04 0.01 0.05 0.25 -0.38 -0.32 -0.22 0.38 0.33 0.19 -0.28 -0.25 -0.15 0.30 0.26 -0.01 -0.01 0.01 0.01 -0.00 0.01 0.01 0.01 0.01 -0.00 0.01 0.00 0.02 0.02 0.03 0.00 0.00 -0.01 0.24 0.09 0.03 0.00 -0.02 -0.02 -0.00 -0.01 0.00 -0.01 0.01 0.03 -0.02 -0.01 -0.06 0.00 0.01 0.01 -0.00 -0.00 0.00 -0.00 -0.00 0.02 0.00 0.00 -0.01 -0.05 -0.04 -0.05 0.05 -0.17 0.06 -0.00 0.00 -0.03 -0.02 0.05 -0.02 0.03 0.07 -0.07 -0.01 -0.02 0.04 0.04 0.11 -0.04 -0.12 -0.05 0.11 -0.02 -0.04 0.01 0.00 0.02 0.02 -0.07 0.08 -0.11 -0.03 -0.11 0.05 -0.12 0.09 -0.14 -0.09 -0.17 0.09 0.09 0.03 0.02 0.07 0.00 -0.02 -0.03 -0.01 -0.06 -0.00 0.02 0.02 -0.01 -0.02 -0.01 -0.01 0.01 0.02 -0.02 0.01 -0.03 0.03 -0.00 0.01 0.01 0.01 -0.01 0.13 -0.00 -0.06 0.12 -0.22 0.02 0.23 0.07 0.27 0.01 -0.08 -0.14 -0.26 -0.07 -0.12 0.04 -0.04 -0.20 -0.09 0.05 0.18 -0.23 -0.16 -0.19 -0.33 -0.05 0.09 0.08 0.04 0.02 -0.02 0.00 -0.03 -0.03 -0.04 -0.02 0.01 -0.01 -0.01 -0.03 0.05 -0.17 0.02 0.02 0.09 0.06 0.03 0.01 -0.00 0.01 0.05 0.04 0.08 -0.04 0.06 -0.11 -0.06 -0.07 0.06 0.25 -0.02 -0.04 -0.07 0.03 0.01 -0.01 0.03 0.01 -0.10 -0.04 -0.11 -0.02 0.20 0.16 0.19 -0.05 -0.07 -0.03 0.03 -0.02 0.02 0.05 0.02 0.02 -0.00 0.02 0.01 0.01 0.02 -0.02 -0.01 0.03 -0.02 -0.04 -0.01 -0.01 -0.00 -0.01 0.03 0.01 0.00 0.00 -0.01 0.02 -0.02 -0.01 -0.02 0.02 -0.03 0.02 -0.03 -0.02 -0.03 0.02 0.02 0.00 0.00 -0.13 -0.14 0.05 -0.17 0.07 0.27 0.01 -0.03 -0.03 -0.00 -0.05 -0.04 -0.01 -0.09 -0.11 0.12 -0.08 0.12 -0.17 0.02 -0.07 -0.01 -0.06 0.06 -0.55 0.11 0.24 0.03 -0.12 -0.04 -0.02 0.05 -0.02 0.07 0.02 0.07 0.04 -0.04 0.14 -0.00 -0.00 -0.04 0.00 -0.03 0.00 -0.07 -0.02 -0.02 -0.06 -0.04 -0.00 0.01 0.03 0.01 0.00 -0.00 -0.01 -0.01 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.01 -0.03 0.00 -0.00 0.01 0.00 0.00 0.00 -0.00 0.00 0.01 0.02 0.01 0.00 0.05 -0.06 -0.02 -0.01 0.00 0.05 -0.00 -0.02 -0.02 -0.03 0.02 -0.02 -0.13 0.08 0.07 0.00 -0.01 0.01 0.07 -0.00 0.01 -0.02 -0.01 -0.01 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 0.01 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.04 -0.08 -0.02 -0.01 0.13 0.02 -0.01 -0.01 -0.01 -0.01 -0.02 -0.03 -0.01 0.00 -0.00 -0.03 -0.00 -0.02 -0.06 0.03 -0.02 -0.01 -0.00 -0.00 0.72 -0.44 -0.46 -0.02 -0.01 -0.01 -0.02 0.00 -0.03 0.00 0.00 -0.01 0.01 -0.01 0.01 0.01 -0.02 -0.01 0.01 -0.02 -0.02 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.01 0.02 0.02 -0.00 -0.00 -0.00 -0.01 -0.01 -0.00 -0.00 0.00 0.00 -0.01 -0.01 0.03 0.01 0.01 -0.02 -0.03 -0.01 -0.02 -0.00 -0.01 -0.04 0.02 0.00 -0.01 -0.00 -0.04 0.03 -0.04 0.02 0.00 0.01 0.00 -0.01 -0.01 0.00 -0.01 -0.01 0.01 -0.02 0.01 -0.00 -0.02 0.04 0.03 0.03 0.03 0.03 0.06 0.02 0.02 0.04 -0.00 -0.00 -0.02 -0.07 -0.01 -0.12 -0.02 -0.01 -0.02 0.03 -0.01 0.06 0.03 0.00 0.02 -0.00 0.00 -0.01 -0.02 0.02 0.02 0.02 -0.05 -0.02 0.03 -0.03 -0.03 0.01 -0.00 0.02 0.00 0.02 -0.01 -0.02 0.03 0.03 0.04 -0.10 -0.01 -0.08 -0.03 0.02 -0.01 0.02 0.03 -0.03 -0.05 -0.04 -0.01 0.01 0.03 -0.02 0.00 -0.01 -0.01 0.00 -0.01 -0.01 0.01 -0.01 0.01 -0.03 -0.03 0.02 0.04 0.07 0.39 -0.01 0.67 0.07 -0.00 0.13 -0.06 0.01 -0.13 -0.14 0.20 0.19 -0.12 0.20 0.18 0.05 -0.02 -0.01 0.04 -0.02 -0.04 0.11 -0.19 -0.18 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.01 -0.00 0.00 0.01 -0.04 -0.01 -0.01 0.02 0.03 -0.00 0.00 0.00 0.01 0.02 -0.02 0.00 0.01 0.01 0.03 -0.03 0.04 -0.02 0.01 -0.01 -0.00 0.00 0.01 -0.00 0.01 0.00 0.00 0.02 -0.01 0.00 0.02 -0.03 -0.02 -0.02 -0.03 -0.00 -0.04 -0.00 -0.01 -0.01 0.01 -0.00 0.02 0.02 -0.01 0.06 0.02 0.01 0.00 -0.02 -0.01 -0.03 -0.01 0.00 -0.02 0.00 0.00 0.01 -0.02 0.05 0.05 0.04 -0.06 -0.07 0.04 -0.07 -0.06 -0.01 0.01 -0.00 -0.01 0.00 0.01 -0.03 0.06 0.05 -0.04 0.08 0.00 0.06 0.03 -0.00 0.01 -0.03 -0.03 0.03 0.04 0.04 0.01 -0.02 -0.03 0.02 -0.01 0.02 -0.01 -0.00 0.00 0.01 -0.01 0.02 0.03 -0.01 0.00 -0.03 -0.01 -0.05 -0.17 0.00 -0.28 -0.03 0.01 -0.06 0.05 -0.02 0.09 -0.25 0.37 0.29 -0.22 0.34 0.32 0.00 -0.04 -0.04 0.01 -0.05 -0.04 0.20 -0.33 -0.30 -0.01 -0.00 -0.01 -0.01 -0.01 -0.01 -0.00 0.00 0.00 -0.01 -0.02 0.14 0.02 0.03 -0.07 0.01 -0.01 0.01 0.00 -0.01 -0.03 0.09 -0.05 -0.03 -0.06 -0.10 0.15 -0.09 0.09 -0.07 0.06 0.03 0.02 -0.08 0.00 -0.06 -0.02 0.00 -0.08 0.04 -0.03 -0.05 0.10 0.08 0.09 0.10 0.02 0.04 -0.03 -0.00 -0.06 -0.04 0.00 -0.01 0.06 0.00 0.10 0.00 -0.01 0.03 -0.02 -0.00 -0.05 -0.01 0.01 -0.00 0.01 0.00 -0.00 -0.00 0.02 0.02 0.01 -0.01 -0.02 0.01 -0.02 -0.02 -0.01 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.01 0.01 0.11 -0.31 0.01 -0.15 -0.08 -0.03 -0.07 0.10 0.11 -0.12 -0.16 -0.17 -0.03 0.15 0.21 -0.08 0.07 -0.07 0.04 0.02 0.01 -0.13 0.10 -0.12 -0.05 0.01 -0.05 0.05 0.05 0.05 -0.31 0.00 -0.54 -0.08 -0.01 -0.10 -0.00 0.04 0.02 -0.05 0.08 0.06 -0.05 0.08 0.07 -0.01 -0.01 -0.01 0.01 -0.02 -0.01 0.04 -0.07 -0.06 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.01 0.00 -0.01 -0.03 0.11 0.05 0.01 -0.06 -0.01 -0.03 0.01 -0.00 -0.02 -0.06 -0.08 0.14 0.01 0.09 -0.01 -0.09 -0.13 -0.07 0.08 -0.07 -0.03 -0.10 0.10 0.01 0.10 -0.01 0.00 0.01 0.01 0.04 -0.06 -0.02 -0.01 -0.02 0.09 0.00 0.11 -0.03 0.03 -0.04 -0.03 0.02 -0.04 0.04 0.03 0.04 -0.04 -0.03 -0.00 -0.01 0.00 -0.02 0.03 0.01 0.03 0.01 0.00 -0.02 -0.01 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.01 0.00 -0.00 0.00 0.01 0.01 -0.00 -0.00 0.00 0.00 0.03 0.05 -0.05 -0.28 -0.22 0.14 0.10 0.01 0.08 0.07 -0.03 0.08 -0.06 -0.34 -0.29 -0.02 -0.08 -0.06 -0.04 -0.05 -0.11 0.38 -0.18 0.19 -0.02 -0.05 0.01 0.08 0.04 0.15 -0.13 0.05 -0.26 0.05 -0.03 0.14 -0.11 0.08 -0.21 -0.00 0.01 0.02 -0.01 0.02 0.00 0.00 0.00 0.01 0.02 0.01 0.00 0.01 -0.02 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.01 0.01 -0.04 -0.01 -0.00 0.02 0.00 -0.01 0.01 -0.00 -0.00 -0.00 0.01 -0.03 -0.00 -0.01 0.00 0.01 0.02 0.01 -0.01 0.01 0.01 0.02 -0.01 -0.00 -0.02 0.00 0.00 0.00 -0.01 -0.01 0.01 0.00 0.00 0.00 -0.03 -0.02 0.01 -0.00 0.01 0.01 0.01 0.00 -0.00 0.02 0.02 0.03 -0.06 -0.01 -0.10 -0.01 0.00 -0.02 0.06 0.00 0.09 -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 -0.01 0.01 0.01 0.05 0.05 -0.03 -0.01 -0.01 -0.02 -0.01 0.02 -0.01 0.01 0.06 0.05 0.01 0.01 0.02 0.01 0.01 0.03 -0.07 0.03 -0.03 0.01 0.01 0.00 -0.00 -0.03 0.01 -0.10 0.03 -0.18 0.34 0.03 0.60 -0.31 -0.01 -0.56 -0.00 0.01 0.00 -0.01 0.01 0.00 -0.01 0.00 0.00 0.01 0.00 0.00 0.00 -0.01 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.01 0.02 0.00 0.16 0.05 -0.09 -0.02 -0.01 0.06 -0.05 -0.15 0.03 -0.02 -0.03 -0.06 0.01 -0.01 -0.00 -0.04 0.01 0.03 -0.02 -0.01 -0.03 0.02 0.01 -0.01 -0.02 -0.01 -0.00 0.02 -0.00 -0.01 -0.01 -0.00 0.03 0.00 0.01 0.00 -0.16 -0.20 0.17 -0.08 0.13 -0.02 0.04 0.06 -0.06 0.09 0.20 -0.05 -0.06 -0.15 0.10 -0.02 0.05 -0.00 0.06 0.00 -0.07 0.04 0.00 -0.01 -0.05 -0.01 0.00 0.00 -0.02 0.02 -0.01 0.01 -0.04 0.02 -0.02 0.03 0.04 0.05 -0.03 0.01 0.01 0.01 0.17 -0.09 -0.11 0.05 0.08 -0.07 -0.01 0.05 0.07 -0.04 -0.08 -0.06 -0.03 0.00 0.05 -0.04 0.04 -0.03 0.07 -0.01 0.03 -0.03 0.04 -0.04 -0.01 0.03 0.01 0.05 -0.22 0.26 0.06 0.38 -0.09 -0.18 -0.19 -0.21 0.15 0.35 0.12 0.02 -0.01 0.05 -0.02 0.07 -0.01 0.01 0.02 0.06 0.09 0.04 -0.01 0.04 -0.06 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 0.01 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.05 -0.03 -0.07 0.02 -0.03 -0.00 -0.02 0.06 -0.01 -0.05 0.10 0.03 0.06 -0.09 -0.02 -0.03 0.00 -0.00 0.01 -0.03 -0.00 0.02 0.00 0.01 0.01 -0.00 0.01 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.08 0.05 0.07 0.06 -0.24 0.02 0.22 0.12 0.24 0.18 0.13 0.33 0.00 -0.29 -0.24 0.24 0.08 0.22 0.27 0.02 0.32 -0.31 0.21 -0.16 0.06 -0.03 -0.06 0.01 0.00 0.01 0.00 0.00 -0.00 -0.01 -0.00 -0.01 0.00 0.01 0.01 0.01 -0.01 -0.01 -0.01 0.02 0.01 -0.01 0.02 0.02 0.01 -0.02 -0.02 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -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 -0.05 -0.03 0.05 0.05 -0.03 0.06 0.06 0.04 -0.07 -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 0.00 0.01 -0.00 -0.01 -0.01 0.01 0.00 0.01 0.01 0.00 0.02 -0.02 0.01 -0.01 0.00 -0.00 -0.00 0.00 -0.00 0.01 -0.00 0.00 -0.01 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.21 0.29 0.24 0.17 -0.29 -0.25 0.23 -0.37 -0.33 -0.24 0.38 0.33 0.01 -0.00 -0.01 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.07 -0.02 0.01 0.01 -0.01 -0.01 -0.01 -0.03 0.01 0.00 -0.00 0.00 0.02 -0.02 -0.01 -0.02 -0.02 -0.00 0.01 -0.08 0.03 -0.03 -0.02 0.05 0.02 0.01 -0.09 0.04 0.02 0.03 -0.04 0.04 -0.02 -0.00 0.02 -0.02 0.12 -0.01 -0.00 0.00 0.01 -0.01 -0.02 0.00 0.00 0.02 0.04 -0.01 -0.03 -0.04 0.03 -0.00 0.01 -0.00 -0.01 0.01 0.00 0.01 0.00 -0.01 -0.01 -0.00 -0.00 -0.00 -0.01 0.01 -0.01 0.01 -0.01 0.00 -0.01 0.01 0.01 0.01 -0.01 0.01 0.00 0.00 -0.04 0.06 0.02 -0.18 0.58 -0.05 0.02 -0.14 -0.19 0.09 0.22 0.14 0.09 0.07 -0.06 0.28 -0.12 0.28 -0.27 0.09 0.01 -0.31 0.02 -0.01 0.05 0.10 0.03 0.10 -0.02 -0.02 0.02 0.11 -0.01 -0.05 -0.05 -0.01 -0.01 0.16 0.01 0.01 -0.01 0.01 -0.00 0.01 -0.01 -0.00 0.01 0.01 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 -0.00 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 -0.01 0.00 0.01 -0.00 -0.02 0.00 -0.01 0.00 -0.01 0.00 -0.00 -0.01 0.01 -0.00 -0.00 -0.00 0.01 -0.00 -0.00 0.00 -0.00 -0.02 0.00 0.01 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.01 0.00 0.01 0.01 -0.00 -0.00 -0.00 -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 -0.03 -0.01 -0.03 0.05 0.05 -0.03 0.06 0.05 0.03 -0.07 -0.06 0.06 -0.04 -0.04 -0.03 0.11 -0.02 0.02 0.01 0.03 0.01 -0.01 0.01 -0.01 -0.04 -0.03 0.02 -0.00 0.02 -0.01 0.01 0.01 -0.03 0.01 -0.01 -0.00 0.02 0.01 -0.01 0.01 0.02 -0.01 -0.03 -0.01 0.01 0.01 -0.01 0.00 -0.03 -0.00 -0.11 0.16 0.11 -0.09 0.13 0.14 0.21 -0.35 -0.31 0.20 -0.34 -0.32 -0.24 0.39 0.35 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.09 0.00 0.02 0.01 -0.01 -0.01 0.01 0.04 -0.01 -0.01 -0.00 -0.02 0.01 0.03 0.02 -0.05 0.01 0.05 -0.02 -0.10 0.02 -0.03 0.02 -0.06 0.00 -0.01 -0.02 0.03 -0.01 -0.01 -0.00 0.05 -0.00 0.01 0.02 0.00 -0.11 0.03 0.03 -0.01 -0.01 0.00 0.01 -0.00 -0.01 -0.03 -0.06 0.02 0.04 0.05 -0.03 0.00 -0.02 0.00 0.01 -0.02 -0.00 -0.02 -0.00 0.01 0.01 0.01 0.00 0.00 0.02 -0.00 0.01 -0.00 0.02 0.00 -0.01 -0.02 -0.00 -0.03 -0.00 -0.03 0.01 0.01 0.37 -0.23 -0.24 -0.13 0.56 -0.09 0.10 0.10 0.20 0.04 -0.10 0.06 -0.07 -0.26 -0.15 0.07 0.01 0.07 0.01 0.02 0.07 -0.12 0.05 -0.04 0.00 0.06 0.01 -0.09 0.06 0.07 -0.04 -0.16 -0.01 0.04 0.06 -0.02 0.02 -0.20 -0.01 0.03 -0.03 -0.05 0.03 -0.04 -0.01 -0.06 0.09 0.07 -0.07 0.07 0.08 0.04 -0.09 -0.10 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.02 0.00 0.00 -0.01 0.01 0.01 0.00 0.00 0.01 0.02 -0.00 0.01 0.01 -0.01 0.01 0.02 0.01 -0.01 0.01 -0.00 0.01 -0.03 -0.01 -0.00 0.01 -0.00 -0.01 -0.01 0.01 0.01 -0.00 0.00 -0.00 0.01 -0.01 0.00 -0.05 0.01 -0.01 0.01 -0.01 -0.01 0.02 -0.01 -0.01 -0.00 0.00 0.01 -0.01 0.01 0.01 -0.00 -0.01 -0.00 0.01 0.00 -0.00 -0.00 0.03 0.01 0.00 -0.13 -0.28 0.22 -0.19 0.15 -0.30 -0.04 0.04 -0.05 -0.03 -0.05 0.05 0.33 0.12 0.07 0.09 -0.07 -0.06 0.00 0.08 -0.01 0.03 0.06 0.10 -0.00 -0.07 -0.00 -0.04 -0.10 -0.04 -0.03 0.03 -0.03 0.05 -0.01 0.02 0.02 0.01 -0.01 -0.01 -0.01 -0.00 -0.04 -0.02 -0.09 0.01 -0.03 0.02 0.02 0.01 0.02 -0.01 -0.03 0.00 -0.06 -0.27 0.30 -0.14 0.23 -0.31 0.01 -0.00 -0.08 0.03 -0.08 0.01 0.31 0.18 0.12 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.04 -0.00 -0.05 -0.01 -0.01 0.03 0.01 0.04 -0.01 -0.02 -0.03 -0.09 0.01 -0.03 -0.03 0.01 -0.03 -0.04 -0.05 0.02 -0.02 0.00 -0.03 0.08 0.03 0.01 -0.03 0.02 0.02 0.03 -0.01 -0.00 0.00 -0.00 0.01 -0.02 -0.03 0.05 0.22 -0.04 0.00 -0.03 0.03 0.03 -0.07 -0.03 -0.08 0.04 0.06 0.07 -0.02 0.01 -0.02 -0.00 0.02 -0.03 -0.01 -0.01 -0.00 0.00 0.02 0.01 0.00 -0.01 -0.02 0.02 -0.01 0.01 -0.02 -0.01 0.01 -0.02 -0.01 -0.02 0.02 0.02 0.01 0.00 -0.22 0.18 0.13 -0.05 -0.17 0.01 -0.08 -0.18 -0.29 0.01 0.23 0.03 0.11 0.27 0.10 0.13 -0.09 0.12 -0.16 0.03 -0.05 -0.08 -0.04 0.03 0.04 0.04 0.02 0.06 0.16 0.42 -0.08 -0.25 -0.06 0.02 0.06 -0.13 0.05 -0.28 0.02 -0.00 -0.03 0.02 0.00 0.02 -0.03 -0.00 0.02 -0.02 -0.01 -0.02 0.02 0.02 0.02 -0.01 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.19 0.02 0.15 0.02 0.01 -0.03 -0.00 -0.00 -0.00 0.01 0.02 0.06 -0.01 0.00 -0.03 0.02 -0.06 -0.00 -0.12 0.02 -0.05 -0.03 -0.03 0.07 0.06 0.04 -0.04 0.00 0.02 0.01 -0.00 0.01 -0.06 0.01 0.02 -0.01 -0.18 -0.04 -0.15 0.02 -0.01 0.03 -0.02 -0.03 0.04 0.01 0.01 -0.02 -0.01 -0.01 -0.01 -0.01 0.00 0.00 0.01 0.00 -0.00 -0.01 0.01 0.01 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.01 -0.00 -0.00 -0.08 0.08 0.08 -0.21 -0.31 0.03 -0.03 -0.19 -0.29 0.06 0.27 0.11 0.11 0.17 -0.02 0.23 -0.19 0.19 -0.31 0.06 -0.11 -0.05 -0.11 0.11 0.03 0.03 -0.00 -0.20 -0.12 -0.29 0.05 0.05 0.06 0.01 0.01 0.08 0.00 -0.01 -0.01 0.01 0.00 0.01 0.01 0.00 -0.00 0.00 0.01 -0.00 0.01 -0.00 0.01 -0.00 -0.01 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.01 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 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -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 -0.01 0.01 0.01 0.01 -0.01 0.01 0.01 -0.00 -0.01 -0.01 0.01 0.00 -0.00 -0.00 -0.01 -0.01 -0.00 -0.06 0.03 -0.06 -0.05 -0.06 0.03 0.03 -0.11 0.13 0.01 0.12 -0.13 0.14 0.05 0.04 0.00 -0.00 -0.00 -0.01 -0.01 -0.00 -0.00 -0.01 -0.01 0.00 0.01 0.00 0.00 0.00 -0.00 0.01 -0.00 0.00 -0.01 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.01 0.01 0.00 -0.01 -0.05 -0.00 0.02 0.01 -0.01 -0.01 -0.05 0.01 -0.29 -0.02 -0.28 -0.36 -0.33 0.12 -0.27 -0.33 0.24 -0.28 0.13 -0.34 0.16 0.03 0.05 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.04 -0.00 -0.04 -0.01 -0.00 0.01 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.01 0.02 0.03 -0.02 0.03 0.09 0.05 0.03 -0.04 -0.07 -0.03 0.01 0.02 0.06 -0.02 -0.03 -0.02 -0.03 0.01 -0.01 0.03 0.01 -0.00 0.02 0.02 0.00 0.01 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.46 -0.35 -0.27 0.23 -0.39 -0.00 0.07 -0.14 -0.16 0.11 0.18 0.19 0.05 -0.11 -0.20 0.10 -0.14 0.09 -0.28 0.05 -0.14 0.03 -0.12 0.12 -0.02 -0.07 -0.04 0.02 0.01 0.02 -0.01 -0.00 -0.01 0.00 -0.00 -0.01 -0.00 0.01 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.01 -0.01 0.01 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.01 0.00 0.00 -0.00 -0.01 0.00 -0.01 -0.01 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.01 0.02 -0.03 -0.09 -0.06 0.01 0.09 0.01 0.05 0.05 -0.03 0.06 -0.05 -0.04 0.02 0.00 0.06 -0.06 -0.01 0.00 0.01 0.00 0.01 -0.01 0.00 0.00 0.00 0.00 0.00 0.01 0.00 -0.01 -0.01 -0.00 -0.00 -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 0.04 -0.01 -0.01 -0.01 0.01 0.00 0.03 -0.00 -0.40 -0.09 -0.23 0.44 0.31 -0.04 0.18 0.09 0.04 -0.28 -0.05 -0.14 -0.03 0.35 -0.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.01 -0.00 0.01 0.02 0.01 -0.01 0.00 0.00 0.00 0.00 0.00 0.00 -0.01 0.02 0.02 -0.04 0.11 -0.09 -0.05 0.00 0.13 0.06 -0.04 0.01 0.00 -0.07 -0.06 0.02 0.01 0.03 0.00 0.01 -0.02 -0.02 -0.02 -0.02 0.01 0.00 -0.01 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.38 -0.13 -0.40 -0.07 -0.34 0.21 -0.15 -0.03 -0.10 -0.12 -0.08 -0.21 0.01 0.21 0.21 0.16 0.08 0.15 0.13 0.03 0.23 -0.30 0.15 -0.15 0.02 -0.08 0.02 -0.02 0.00 -0.02 -0.00 0.01 -0.01 -0.00 -0.00 0.00 -0.00 0.02 0.00 -0.01 -0.00 -0.01 0.01 0.01 -0.00 0.00 0.00 0.00 -0.01 -0.00 -0.01 -0.00 0.01 -0.01 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.01 -0.00 0.02 -0.00 0.02 -0.01 -0.00 0.02 0.00 0.01 -0.00 -0.00 -0.00 -0.01 -0.09 -0.07 0.14 0.10 0.07 0.03 0.06 0.03 -0.03 0.07 0.03 -0.07 0.05 0.05 -0.09 -0.07 -0.04 -0.06 -0.07 -0.01 -0.05 0.00 -0.02 0.02 0.00 0.01 0.02 -0.00 -0.00 -0.00 0.00 0.00 -0.01 0.02 -0.00 -0.01 -0.01 -0.00 0.01 -0.01 -0.01 0.01 0.01 -0.00 -0.01 -0.02 0.01 0.01 0.01 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.09 0.17 0.16 -0.08 -0.06 0.03 -0.05 0.22 0.28 -0.11 -0.35 -0.19 -0.15 -0.11 0.15 0.29 -0.21 0.25 -0.37 0.12 -0.03 -0.23 -0.10 0.11 -0.11 -0.12 -0.05 0.07 0.02 0.07 0.02 0.03 -0.01 -0.08 0.04 0.04 0.02 -0.07 -0.01 -0.01 -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 -0.04 0.05 0.02 0.01 0.00 0.01 0.00 0.00 -0.00 -0.03 -0.06 0.02 0.00 0.00 0.01 -0.02 -0.01 0.02 0.01 0.01 0.00 0.00 0.00 -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 0.00 -0.00 0.00 0.00 -0.05 -0.02 -0.01 0.05 0.01 -0.00 0.00 0.00 -0.14 -0.01 0.08 0.09 0.03 -0.05 0.11 0.08 -0.06 -0.10 -0.01 0.05 0.12 -0.07 -0.07 -0.06 -0.02 -0.01 -0.00 -0.01 0.00 0.00 -0.00 0.00 0.02 -0.00 0.02 0.02 0.02 -0.00 -0.01 -0.00 -0.01 -0.01 0.02 0.02 -0.02 -0.01 0.00 -0.01 0.04 0.05 -0.02 -0.06 -0.03 -0.03 -0.01 0.03 0.05 -0.04 0.04 -0.06 0.02 -0.01 -0.03 -0.02 0.02 -0.01 -0.01 -0.00 0.01 -0.07 -0.04 -0.13 -0.32 0.08 0.62 -0.27 -0.34 -0.12 0.33 0.05 0.04 -0.00 0.05 0.08 0.08 -0.02 0.06 0.03 0.01 0.05 0.02 0.02 -0.01 0.01 -0.02 -0.00 -0.00 -0.00 0.00 0.01 -0.00 -0.00 0.00 0.00 0.03 -0.00 0.03 -0.01 -0.01 0.03 -0.00 -0.01 0.00 -0.00 -0.00 -0.00 0.12 0.09 -0.00 0.15 0.15 0.08 0.05 -0.02 -0.00 -0.06 -0.08 0.03 -0.07 -0.06 -0.00 -0.13 -0.08 -0.13 -0.08 0.00 -0.08 0.00 -0.06 0.06 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 0.01 -0.00 0.01 0.01 -0.01 0.00 -0.01 -0.00 0.01 -0.00 -0.00 -0.01 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.08 0.27 0.15 -0.28 0.12 0.06 0.02 -0.25 -0.30 0.05 0.24 0.08 0.12 0.07 -0.14 -0.13 0.23 -0.10 0.28 -0.03 0.17 -0.09 0.18 -0.19 -0.21 -0.21 -0.12 0.09 -0.01 0.04 -0.00 -0.05 0.00 -0.00 0.01 -0.00 0.01 -0.09 0.00 0.01 -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 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.01 -0.00 0.02 0.00 -0.00 -0.00 -0.00 0.01 -0.00 0.05 -0.02 -0.00 -0.00 -0.01 0.01 0.00 0.00 0.01 0.01 0.01 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.01 -0.01 -0.01 -0.01 0.00 -0.01 0.00 -0.00 0.00 -0.05 0.06 0.04 0.09 -0.09 -0.04 0.01 0.01 -0.01 -0.00 -0.04 0.00 0.03 -0.08 -0.02 -0.04 -0.08 0.03 -0.05 0.07 0.02 -0.02 0.02 0.01 0.07 0.02 0.01 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.02 0.01 -0.02 -0.01 -0.02 0.01 0.01 0.00 0.00 0.00 0.03 0.02 -0.02 0.01 -0.00 0.00 -0.01 -0.02 0.00 0.01 0.00 0.01 0.00 -0.01 -0.01 0.01 -0.00 0.01 -0.00 0.01 -0.01 0.01 -0.01 -0.01 -0.01 -0.01 -0.11 0.18 0.17 -0.03 0.31 0.02 0.23 -0.21 -0.13 -0.09 0.78 0.02 -0.06 -0.00 -0.06 -0.10 -0.09 0.03 -0.05 -0.02 -0.01 -0.03 -0.02 0.00 0.01 0.01 -0.01 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.01 0.01 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.01 -0.01 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 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 0.01 0.01 0.00 0.01 0.01 -0.01 0.02 0.02 -0.00 -0.04 0.01 -0.04 0.00 -0.04 0.05 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.01 0.01 0.01 -0.00 0.01 -0.00 0.01 -0.01 -0.00 -0.01 0.03 0.00 0.02 0.01 0.01 0.26 0.23 -0.08 0.23 0.19 -0.05 -0.48 0.01 -0.34 0.05 -0.42 0.50 -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 0.04 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 -0.01 0.01 0.01 0.01 -0.02 -0.01 0.00 0.00 -0.00 0.00 -0.01 -0.00 0.00 -0.01 -0.00 -0.00 -0.00 -0.00 -0.01 0.00 0.01 -0.01 0.02 0.01 -0.07 -0.03 -0.01 0.05 0.00 0.02 0.02 0.02 -0.01 -0.03 -0.04 0.03 -0.01 0.02 -0.03 -0.01 0.01 -0.02 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.02 0.03 0.03 0.00 0.03 -0.00 -0.00 -0.01 0.00 -0.01 0.03 0.01 0.49 0.03 0.36 0.31 0.27 -0.10 -0.43 -0.39 0.13 -0.13 0.03 -0.11 -0.03 0.13 -0.15 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.02 0.03 0.01 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.16 -0.08 -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 -0.01 -0.00 -0.01 -0.00 0.00 -0.00 0.02 -0.03 -0.01 -0.05 0.06 0.02 -0.00 -0.01 0.00 -0.02 0.03 0.01 0.00 0.04 -0.00 0.01 -0.02 0.00 0.04 -0.01 -0.02 0.03 -0.09 -0.02 0.31 0.13 0.06 0.08 0.02 0.03 0.06 0.02 0.01 -0.10 -0.01 -0.06 -0.07 -0.07 0.03 0.01 0.01 -0.01 -0.01 -0.01 -0.00 0.01 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.01 0.00 0.09 -0.12 -0.10 -0.01 0.01 0.03 -0.01 0.06 -0.00 0.05 0.01 -0.03 0.02 0.03 -0.01 0.04 0.00 0.04 -0.50 -0.34 0.04 -0.54 -0.08 -0.29 0.00 0.01 -0.01 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.04 0.06 0.02 0.01 0.01 -0.00 -0.00 -0.00 0.00 -0.01 -0.03 0.01 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.03 0.04 0.01 0.10 -0.12 -0.05 0.00 0.01 -0.01 -0.05 0.03 0.03 -0.02 0.04 0.01 0.07 0.04 -0.04 -0.05 -0.05 0.03 0.12 -0.14 -0.07 -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 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.19 0.22 0.18 -0.08 0.56 0.05 -0.52 0.32 0.28 -0.04 -0.10 0.03 0.00 -0.00 0.00 0.01 0.01 -0.00 0.03 0.02 -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 0.04 -0.01 0.06 -0.01 -0.01 0.04 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.17 -0.01 0.12 -0.08 -0.03 -0.10 0.12 0.05 0.01 -0.06 0.02 -0.04 -0.08 0.01 -0.03 0.09 0.05 0.10 -0.16 0.00 -0.16 -0.02 0.01 -0.04 -0.02 0.00 -0.01 0.00 -0.01 -0.00 -0.00 0.01 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.01 0.01 -0.01 -0.01 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 -0.42 -0.45 0.01 -0.04 -0.29 0.13 0.16 -0.02 0.00 0.05 -0.08 0.11 -0.03 -0.26 -0.24 -0.12 0.08 -0.09 -0.01 0.01 -0.01 -0.07 0.05 -0.07 0.02 -0.10 0.12 0.25 0.02 0.17 -0.00 0.03 0.00 0.03 -0.02 -0.02 -0.01 -0.05 0.01 0.00 -0.00 0.00 0.00 0.00 -0.00 0.01 0.01 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.01 0.00 -0.02 0.01 -0.06 -0.02 -0.00 -0.02 0.01 0.02 -0.00 0.00 0.00 0.00 0.12 0.03 0.16 0.02 0.03 -0.03 -0.08 -0.02 -0.10 -0.04 -0.01 -0.05 -0.02 -0.02 -0.06 0.02 0.00 0.01 0.17 0.03 0.18 -0.01 0.00 -0.01 0.01 -0.01 0.01 -0.01 0.02 0.01 0.00 -0.01 0.00 0.00 0.00 -0.00 0.00 0.01 -0.00 -0.02 -0.02 0.01 0.02 -0.01 -0.01 -0.00 -0.04 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 -0.32 -0.10 0.15 -0.60 -0.20 0.06 0.06 -0.03 -0.02 0.03 -0.09 0.04 -0.04 -0.15 -0.11 0.02 0.07 0.00 -0.09 0.06 0.09 -0.24 0.07 -0.08 -0.09 -0.17 0.05 -0.25 -0.06 -0.21 0.00 -0.02 -0.00 -0.04 0.04 0.02 0.02 0.12 -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 -0.00 -0.00 -0.01 0.00 -0.00 -0.01 -0.01 -0.00 -0.00 -0.00 0.00 0.02 -0.00 -0.00 0.00 -0.01 -0.00 0.00 0.00 0.00 0.00 0.00 -0.01 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.01 0.00 0.01 0.00 -0.00 0.00 -0.02 0.06 0.04 -0.09 -0.06 0.04 -0.00 -0.02 0.00 -0.01 0.03 0.01 0.02 -0.00 -0.01 0.08 -0.08 -0.04 -0.01 0.05 0.00 0.01 0.03 -0.01 -0.01 0.01 -0.02 0.00 -0.01 0.01 -0.00 -0.01 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 -0.01 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.01 0.00 0.00 -0.00 0.00 0.01 -0.01 0.00 -0.00 -0.00 0.00 -0.00 0.25 -0.29 -0.30 -0.06 0.67 0.02 0.27 -0.15 -0.16 0.01 -0.37 0.01 0.03 -0.00 0.03 -0.03 -0.03 0.01 0.05 0.03 -0.01 -0.03 -0.00 -0.02 0.00 -0.00 0.01 0.00 0.00 -0.00 0.00 0.00 0.00 0.04 -0.08 -0.02 -0.01 0.01 -0.02 -0.01 -0.00 -0.01 -0.09 -0.12 0.02 -0.00 -0.00 0.00 0.01 0.01 0.03 0.01 0.00 -0.00 -0.03 -0.01 -0.02 -0.00 -0.01 -0.01 0.00 -0.00 -0.01 0.00 -0.00 -0.00 0.05 0.01 0.05 -0.00 0.00 -0.00 -0.01 -0.00 -0.01 0.10 -0.09 -0.04 0.00 0.02 -0.00 0.01 0.00 -0.01 -0.03 -0.12 0.02 0.08 0.17 -0.05 -0.13 0.06 0.07 -0.00 0.27 -0.01 0.06 0.04 -0.01 0.03 -0.00 0.02 -0.00 -0.01 0.01 -0.03 -0.01 -0.01 0.01 -0.01 0.02 -0.01 0.01 -0.02 -0.04 0.00 0.03 -0.11 -0.02 0.00 0.00 -0.01 -0.01 0.00 -0.01 0.00 -0.01 -0.01 -0.01 0.01 0.01 0.00 -0.02 0.01 0.02 -0.04 0.01 -0.01 -0.02 -0.02 0.00 -0.31 0.29 0.22 0.03 -0.12 -0.01 0.09 -0.21 -0.04 -0.11 -0.65 0.09 -0.04 0.01 -0.03 0.00 -0.01 0.01 -0.04 -0.02 -0.01 -0.10 -0.01 -0.05 -0.00 -0.02 0.02 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.01 0.00 -0.01 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.06 0.21 0.09 0.02 -0.06 0.03 -0.03 -0.02 -0.05 0.02 -0.06 -0.01 0.02 -0.06 -0.03 0.01 0.00 0.00 -0.02 -0.01 -0.00 0.00 -0.01 0.02 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.28 -0.28 0.17 0.64 0.05 -0.25 -0.16 -0.08 -0.16 -0.10 -0.01 -0.19 0.02 -0.01 -0.00 0.13 0.16 0.11 0.02 0.04 0.20 -0.13 0.08 -0.09 0.08 0.18 -0.01 0.03 0.00 0.02 0.00 -0.01 0.00 -0.01 0.01 0.00 0.00 0.01 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.06 -0.01 0.06 -0.04 -0.01 -0.05 -0.00 0.01 0.01 -0.01 0.01 -0.02 -0.00 -0.01 0.00 -0.03 -0.02 -0.04 -0.00 0.01 -0.00 0.02 -0.04 0.07 0.00 0.01 0.01 -0.00 -0.01 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.01 -0.00 -0.00 0.00 0.01 -0.00 -0.00 0.00 0.00 -0.01 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.12 0.36 -0.07 0.01 -0.13 0.03 0.05 -0.01 -0.01 0.01 -0.06 0.02 -0.02 -0.07 -0.05 -0.05 0.03 -0.06 -0.11 -0.04 -0.11 -0.08 0.09 -0.06 0.35 0.77 -0.15 -0.02 -0.02 -0.05 0.00 -0.03 -0.00 -0.02 0.01 0.01 -0.00 0.02 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.01 0.00 0.01 -0.00 0.01 0.00 0.00 0.00 -0.00 0.00 0.05 -0.01 0.00 -0.00 0.01 0.00 0.00 0.01 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.01 0.00 0.01 0.00 -0.01 0.01 0.03 -0.09 -0.07 0.02 0.12 -0.00 0.00 0.02 -0.00 -0.02 -0.11 0.01 -0.12 0.04 0.06 -0.07 -0.09 0.04 0.01 -0.07 -0.01 0.13 0.08 -0.07 0.02 -0.08 0.09 -0.04 0.01 -0.04 0.04 0.04 -0.02 0.05 0.06 -0.03 -0.07 0.00 -0.05 0.01 -0.04 0.05 0.01 0.04 -0.01 -0.02 -0.02 0.01 0.00 -0.00 -0.00 0.00 -0.01 0.00 -0.00 -0.01 -0.00 -0.00 0.01 -0.00 -0.01 -0.00 -0.01 -0.01 0.01 -0.01 0.04 0.08 -0.02 -0.14 0.28 0.35 -0.06 0.48 0.04 0.34 -0.21 -0.17 0.03 -0.30 -0.00 -0.10 0.00 -0.09 0.07 0.07 -0.03 -0.17 -0.12 0.03 0.16 0.00 0.10 -0.00 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 -0.01 0.00 -0.00 0.00 -0.03 -0.03 -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 -0.01 -0.00 -0.01 -0.00 0.00 -0.00 -0.02 0.08 0.08 0.01 -0.08 -0.02 -0.01 -0.03 0.00 0.02 0.03 -0.01 0.04 -0.02 -0.02 0.02 0.08 -0.00 -0.02 0.02 0.01 -0.02 -0.00 0.01 0.04 -0.14 0.16 -0.05 0.02 -0.05 0.04 0.05 -0.03 0.09 0.09 -0.04 -0.10 0.02 -0.08 0.01 -0.05 0.06 -0.00 -0.01 0.00 0.03 0.01 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.01 0.00 0.00 0.01 -0.01 0.00 -0.02 -0.04 0.01 0.05 -0.30 -0.41 0.04 -0.14 -0.02 -0.09 0.05 0.03 -0.03 0.05 0.02 -0.26 0.01 -0.22 0.25 0.23 -0.09 -0.31 -0.23 0.06 0.34 0.02 0.21 0.00 -0.03 0.03 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.03 -0.02 0.01 -0.01 -0.00 -0.01 -0.01 0.00 -0.00 -0.00 -0.00 0.02 -0.01 0.01 -0.00 0.00 -0.00 0.00 -0.01 -0.00 -0.02 0.00 -0.01 -0.00 0.01 -0.00 0.00 -0.00 -0.00 -0.00 0.06 0.01 0.05 0.00 -0.00 0.01 -0.05 -0.03 -0.12 -0.05 -0.04 0.05 0.02 0.03 -0.01 -0.00 0.08 -0.00 0.06 -0.03 -0.03 0.07 -0.02 -0.03 0.00 0.07 -0.00 -0.06 -0.05 0.03 0.01 -0.03 0.03 -0.02 0.00 -0.01 0.01 0.01 -0.01 0.02 0.02 -0.01 -0.03 0.00 -0.02 0.00 -0.01 0.02 0.00 -0.03 -0.00 -0.17 -0.02 0.03 -0.02 0.01 0.01 0.01 0.02 0.00 -0.01 0.02 0.03 0.01 0.00 0.00 -0.01 -0.00 0.00 -0.01 0.01 -0.00 0.03 0.06 -0.01 0.58 0.26 0.68 0.01 -0.04 0.01 -0.05 0.04 0.05 0.01 -0.03 -0.00 -0.04 0.00 -0.03 0.04 0.04 -0.01 -0.06 -0.04 0.01 0.08 0.00 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 -0.01 -0.02 0.01 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.01 -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 -0.01 0.02 0.00 0.01 -0.01 -0.01 0.02 -0.00 -0.01 -0.01 0.02 0.00 -0.01 0.00 0.01 0.00 0.00 -0.00 -0.13 -0.01 -0.07 0.13 0.09 -0.02 0.05 0.03 -0.00 -0.05 -0.01 -0.02 0.01 -0.10 0.11 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 -0.01 -0.01 0.00 -0.10 0.01 -0.04 -0.00 -0.06 -0.00 -0.04 0.01 0.02 -0.01 -0.02 0.01 0.46 -0.01 0.34 -0.37 -0.34 0.12 0.19 0.15 -0.04 -0.27 -0.01 -0.17 -0.04 0.25 -0.30 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.02 -0.02 0.00 -0.01 -0.00 0.00 -0.00 -0.03 0.01 -0.00 0.00 0.00 -0.04 0.02 -0.02 0.00 -0.00 0.00 0.03 0.00 -0.02 0.01 -0.01 -0.00 0.01 -0.01 0.01 -0.00 0.00 -0.00 0.04 0.01 0.03 0.00 -0.01 0.01 -0.09 0.07 -0.00 0.07 -0.01 -0.04 0.01 -0.01 0.00 0.04 -0.09 -0.02 -0.05 0.05 0.03 -0.09 0.11 0.04 -0.00 -0.10 0.01 0.06 0.04 -0.04 -0.00 0.02 -0.02 -0.00 -0.00 -0.00 0.01 0.01 -0.00 -0.01 -0.01 0.00 0.01 -0.00 0.01 -0.00 -0.00 0.00 -0.03 -0.15 -0.00 -0.27 -0.01 0.05 -0.05 0.02 0.03 0.01 0.05 -0.01 -0.00 0.04 0.04 0.02 -0.00 0.02 0.02 -0.01 0.00 0.01 0.00 -0.00 0.06 0.12 -0.02 0.79 -0.32 -0.02 0.03 0.02 -0.02 0.06 -0.01 -0.03 -0.02 0.13 0.00 0.08 0.00 0.06 -0.06 -0.06 0.02 0.06 0.05 -0.01 -0.09 -0.00 -0.06 -0.01 0.04 -0.05 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.01 -0.01 0.01 0.02 0.01 -0.03 -0.00 -0.01 0.00 -0.00 0.00 0.00 0.09 -0.05 0.06 -0.01 -0.00 -0.00 -0.12 -0.01 0.04 -0.03 0.02 -0.01 -0.01 0.01 -0.02 0.00 -0.01 0.00 0.01 -0.00 0.02 -0.00 0.04 -0.04 -0.03 0.02 -0.02 0.01 -0.01 -0.00 0.00 0.00 -0.00 0.01 -0.02 -0.01 -0.01 0.01 0.00 -0.02 0.03 0.01 -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 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.16 0.53 -0.00 0.56 0.02 -0.14 0.14 -0.05 -0.06 0.01 -0.15 0.06 -0.01 -0.07 -0.07 -0.05 0.03 -0.07 -0.09 0.03 0.01 -0.09 0.01 -0.00 -0.17 -0.33 0.06 0.28 -0.05 0.08 0.01 0.01 -0.00 0.02 -0.00 -0.00 -0.00 0.03 -0.00 0.01 0.00 0.01 -0.01 -0.01 0.00 0.01 0.01 -0.00 -0.01 -0.00 -0.01 -0.00 0.01 -0.01 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.03 0.01 0.04 -0.01 -0.00 -0.01 -0.02 -0.00 -0.00 -0.03 -0.09 -0.09 -0.06 0.02 -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 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.01 0.07 0.00 0.11 -0.03 -0.03 0.02 0.19 0.50 0.27 0.38 0.22 -0.05 0.39 0.21 0.15 -0.10 0.23 0.25 -0.00 0.04 0.19 -0.11 0.01 0.01 0.04 -0.00 -0.01 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.01 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.01 -0.01 0.01 0.01 0.02 -0.01 -0.02 -0.01 0.00 0.00 0.05 0.04 -0.10 0.04 -0.04 -0.00 -0.00 -0.01 0.01 0.00 0.01 -0.00 -0.01 0.01 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.05 -0.03 0.02 0.02 0.01 -0.01 0.05 -0.12 -0.27 -0.12 -0.26 -0.06 0.01 -0.20 -0.10 0.26 -0.29 0.42 0.51 -0.04 -0.01 0.35 -0.18 0.03 0.04 0.11 -0.02 0.01 0.00 0.01 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.02 -0.01 0.02 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.03 0.09 0.04 -0.07 -0.16 0.02 0.12 0.01 -0.04 0.02 -0.01 0.00 -0.03 -0.03 -0.03 0.00 -0.01 0.02 -0.00 0.01 -0.01 0.01 0.07 -0.05 0.00 -0.00 0.01 0.01 0.01 -0.01 -0.00 -0.00 0.00 -0.01 0.00 0.01 0.00 -0.01 -0.00 0.00 -0.02 -0.00 -0.01 0.00 0.00 0.00 0.01 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.34 0.60 -0.08 -0.30 -0.12 0.09 -0.15 0.02 -0.05 -0.07 0.03 -0.12 0.00 -0.12 -0.05 0.12 0.25 0.17 0.01 0.07 0.21 0.23 -0.09 -0.03 -0.07 -0.18 0.05 0.01 -0.02 -0.02 -0.01 -0.02 0.01 -0.04 0.01 0.02 -0.01 -0.01 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.01 0.01 -0.00 0.01 0.00 -0.00 0.00 -0.00 0.00 -0.01 -0.05 0.00 0.00 -0.00 -0.00 -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 0.00 -0.01 0.00 -0.01 0.00 0.01 -0.01 0.05 0.01 -0.02 -0.13 -0.19 0.09 -0.00 0.00 -0.00 0.12 -0.04 -0.07 -0.06 0.14 0.02 -0.05 0.21 0.02 0.09 -0.03 -0.05 -0.07 -0.11 0.04 0.00 -0.01 0.01 -0.00 0.01 -0.01 -0.01 -0.01 -0.00 -0.01 -0.01 0.00 0.02 0.01 0.00 0.00 -0.01 0.01 0.04 0.07 -0.01 -0.03 -0.01 0.01 -0.03 0.01 0.01 -0.01 0.03 -0.03 0.01 -0.02 -0.01 0.01 0.04 0.01 -0.01 0.01 0.03 0.03 -0.01 -0.00 -0.01 -0.02 0.01 -0.38 0.33 0.17 0.13 0.25 -0.07 0.52 -0.17 -0.29 0.10 0.09 -0.06 0.03 0.01 0.02 0.03 0.03 -0.02 0.06 0.05 -0.02 -0.02 0.01 -0.03 -0.01 0.06 -0.07 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 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 0.02 0.00 -0.01 -0.00 0.00 -0.00 0.03 -0.03 -0.01 -0.03 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.01 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.03 -0.09 0.01 0.00 0.02 -0.00 0.09 -0.10 -0.22 0.22 -0.27 0.35 -0.26 0.04 0.35 0.13 0.43 0.17 -0.29 0.02 -0.00 0.37 0.08 -0.18 0.01 0.01 -0.01 -0.01 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 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 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.01 -0.01 0.01 -0.00 0.00 -0.00 0.01 -0.01 -0.00 -0.01 0.02 0.00 0.00 0.02 -0.01 0.01 -0.02 -0.00 -0.02 0.00 0.01 -0.02 0.10 -0.11 -0.09 -0.07 0.02 0.10 0.01 0.05 0.14 0.05 0.04 -0.12 -0.07 -0.01 -0.02 0.09 -0.11 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.01 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.01 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.02 0.02 0.01 0.00 0.04 -0.01 0.03 0.00 -0.01 0.01 0.05 -0.01 0.13 -0.08 0.19 -0.12 -0.20 0.14 -0.25 -0.29 0.16 0.24 -0.08 0.25 0.05 -0.44 0.51 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.03 0.01 -0.00 -0.00 -0.01 0.00 0.01 0.00 -0.00 -0.05 -0.00 0.01 0.01 -0.01 -0.02 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.03 -0.01 -0.04 0.00 0.01 0.61 -0.12 0.11 -0.15 -0.32 -0.08 0.27 0.47 -0.15 -0.01 0.12 -0.04 -0.05 0.10 0.23 0.04 -0.18 0.13 0.02 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 0.01 -0.06 0.01 0.01 0.04 -0.01 -0.03 -0.00 0.01 0.00 -0.01 0.03 -0.02 -0.02 0.00 -0.00 0.00 -0.00 0.01 -0.00 0.01 -0.00 -0.01 0.01 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.05 -0.07 0.01 0.05 0.02 -0.01 -0.07 0.12 0.24 -0.22 0.26 -0.33 0.26 -0.06 -0.36 0.15 0.35 0.21 -0.28 -0.02 -0.11 0.37 0.13 -0.21 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 0.03 -0.04 -0.02 0.01 0.03 -0.01 -0.02 -0.00 0.01 0.01 0.01 0.01 -0.00 0.01 -0.05 -0.00 0.01 -0.01 0.00 -0.00 -0.00 -0.00 -0.02 0.02 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.04 -0.06 0.00 0.03 0.02 -0.01 -0.23 0.06 -0.03 0.03 0.16 0.01 -0.07 -0.21 -0.00 -0.09 0.24 -0.15 -0.08 0.26 0.55 0.08 -0.49 0.35 0.04 0.13 -0.02 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 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 -0.00 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 -0.02 0.00 0.00 -0.00 -0.00 0.01 -0.00 -0.01 0.00 -0.01 -0.00 -0.01 0.01 0.01 0.13 0.06 0.02 -0.09 0.03 -0.10 -0.06 -0.10 0.06 -0.07 -0.10 0.06 -0.10 0.03 -0.10 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 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.01 0.00 -0.01 0.00 0.00 0.00 -0.00 0.01 -0.01 -0.00 -0.01 0.05 0.01 -0.03 0.02 0.02 -0.00 0.03 -0.00 0.43 0.04 0.26 0.34 0.25 -0.03 0.37 0.27 -0.05 0.41 0.03 0.24 0.11 0.03 0.04 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.02 0.03 0.01 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.03 0.02 -0.01 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.02 0.03 0.02 0.10 -0.10 -0.05 0.00 -0.00 -0.00 0.01 0.14 -0.01 -0.10 -0.03 0.06 -0.15 -0.06 0.08 0.01 0.22 -0.02 0.12 -0.16 -0.06 0.01 0.01 -0.00 -0.01 0.00 -0.01 0.01 -0.00 0.01 -0.01 -0.02 0.02 -0.02 -0.01 -0.00 0.01 0.03 -0.02 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.04 -0.03 -0.02 0.06 -0.53 -0.03 0.30 -0.28 -0.15 0.07 -0.56 -0.01 0.06 0.00 0.04 0.00 -0.01 0.01 0.04 0.02 0.01 0.05 -0.01 0.04 0.02 -0.04 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 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -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 0.07 0.00 0.00 -0.00 0.00 0.01 -0.10 -0.00 0.05 -0.06 -0.02 -0.03 0.04 0.02 -0.01 0.09 0.00 -0.00 -0.05 0.00 0.14 -0.06 0.15 -0.27 0.00 -0.18 -0.19 -0.05 -0.07 0.18 0.05 0.07 0.28 -0.00 0.19 -0.13 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 0.00 0.00 0.00 0.00 -0.02 -0.01 -0.01 0.16 0.01 -0.09 0.01 0.05 -0.00 -0.09 0.01 0.35 0.00 0.24 0.04 0.17 -0.15 -0.07 -0.17 0.14 -0.35 -0.00 -0.23 -0.11 -0.19 0.12 -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 -0.01 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.01 -0.00 0.00 0.00 -0.00 0.00 0.02 -0.00 -0.01 -0.16 -0.06 0.09 0.00 -0.00 0.00 0.06 0.04 -0.04 0.16 -0.03 -0.09 -0.13 0.00 0.07 -0.08 -0.05 0.05 0.16 0.09 -0.09 -0.04 -0.19 0.18 0.05 0.10 -0.08 0.17 0.20 -0.10 -0.17 -0.20 0.11 -0.06 -0.10 0.07 0.04 0.20 -0.19 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.09 0.08 0.04 0.08 -0.02 -0.04 -0.17 0.16 0.09 -0.10 0.05 0.05 0.09 0.11 -0.07 -0.28 -0.19 0.02 0.29 0.18 -0.00 -0.05 -0.12 0.09 0.10 -0.18 0.27 -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 -0.02 0.02 -0.01 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.02 0.02 0.01 0.15 -0.14 -0.08 -0.00 0.00 -0.00 -0.09 0.26 0.05 -0.25 0.19 0.13 0.22 -0.18 -0.11 0.10 -0.24 -0.05 -0.13 0.11 0.07 0.03 -0.10 0.12 -0.05 0.04 -0.08 0.01 0.06 -0.06 -0.01 -0.06 0.05 0.06 -0.04 0.08 -0.02 0.09 -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 0.05 -0.02 -0.00 -0.05 -0.37 0.04 0.34 -0.14 -0.19 0.09 0.27 -0.06 0.11 0.04 0.02 -0.08 -0.01 -0.04 0.09 0.02 0.03 -0.12 -0.04 -0.04 0.00 -0.10 0.12 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.01 -0.01 0.01 0.01 -0.00 0.00 0.01 0.00 -0.01 0.01 0.01 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.01 -0.00 0.01 -0.00 -0.00 0.00 0.02 0.01 -0.01 -0.18 -0.21 0.11 0.00 -0.00 -0.00 0.06 0.28 -0.04 0.11 0.07 -0.07 -0.16 -0.16 0.09 -0.08 -0.23 0.05 0.23 0.22 -0.14 0.08 0.12 -0.08 -0.08 -0.06 0.01 -0.13 -0.13 0.05 0.12 0.11 -0.04 0.07 0.05 -0.01 -0.04 -0.09 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 -0.12 0.13 0.07 0.12 -0.40 -0.06 -0.04 0.17 0.02 -0.12 0.21 0.06 0.04 -0.07 0.09 0.18 0.14 -0.03 -0.16 -0.12 0.03 -0.01 0.06 -0.07 -0.07 0.06 -0.11 -0.00 0.01 -0.01 0.01 0.01 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.01 0.00 -0.01 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.01 0.01 0.01 -0.06 -0.11 0.01 0.01 -0.01 -0.01 0.00 0.00 -0.00 0.00 -0.00 0.00 0.17 0.49 -0.22 -0.02 -0.00 0.02 -0.10 -0.40 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 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.16 0.30 -0.04 -0.03 0.00 0.00 0.00 0.01 0.00 -0.01 -0.01 -0.01 0.00 -0.00 -0.00 0.01 -0.01 0.01 -0.00 -0.01 -0.03 -0.00 0.03 -0.02 -0.33 -0.45 -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 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.05 -0.01 0.02 -0.32 -0.11 0.37 0.00 0.00 -0.00 0.00 0.00 0.00 -0.01 -0.01 0.03 -0.01 0.01 0.01 -0.10 -0.03 0.02 0.00 0.00 -0.01 0.00 0.00 -0.01 0.01 0.03 -0.02 0.56 0.17 -0.53 -0.01 -0.03 0.02 0.03 0.00 -0.02 -0.01 -0.01 0.01 -0.01 -0.00 -0.00 0.00 0.01 -0.00 0.00 0.00 -0.00 -0.01 -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 0.01 0.01 -0.01 0.28 0.07 -0.13 0.01 0.00 -0.00 -0.01 -0.04 -0.00 -0.01 0.01 0.02 0.04 -0.02 0.05 -0.00 0.00 -0.01 0.00 0.01 -0.01 -0.02 -0.02 -0.01 -0.06 0.03 -0.06 0.01 -0.02 -0.00 0.00 0.01 -0.01 -0.00 0.01 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -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 -0.07 -0.13 -0.57 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.01 -0.02 -0.10 0.01 -0.00 -0.00 0.10 0.18 0.77 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.04 -0.03 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 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 -0.03 0.02 -0.01 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.13 0.46 -0.22 -0.38 0.06 0.28 0.19 -0.08 0.14 0.35 -0.00 -0.27 -0.06 -0.37 0.15 0.05 0.17 0.20 -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 -0.03 -0.01 0.03 -0.02 0.01 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.11 0.40 -0.20 -0.33 0.05 0.24 0.17 -0.07 0.12 -0.40 0.01 0.31 0.07 0.42 -0.17 -0.06 -0.20 -0.24 0.01 0.00 0.01 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.06 -0.04 0.06 0.01 0.01 -0.02 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.14 0.57 -0.26 0.56 -0.11 -0.42 -0.03 -0.00 0.00 -0.15 0.01 0.11 -0.03 -0.19 0.08 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 -0.02 -0.01 0.02 -0.05 -0.05 0.05 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.04 0.17 -0.08 0.17 -0.03 -0.12 -0.00 -0.00 0.00 0.51 -0.02 -0.39 0.09 0.65 -0.26 -0.01 -0.02 -0.01 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -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 0.04 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.33 0.77 -0.54 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.07 -0.06 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.01 -0.00 -0.02 0.00 -0.00 0.00 -0.01 0.00 0.01 -0.00 0.00 -0.00 -0.23 -0.01 0.17 0.04 0.26 -0.12 0.17 0.57 0.69 -0.03 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 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.07 0.04 -0.04 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.02 0.00 -0.03 -0.00 -0.00 -0.00 -0.07 -0.19 0.09 0.17 -0.02 -0.14 0.73 -0.29 0.53 -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 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.01 0.01 -0.01 0.01 -0.02 -0.02 0.02 -0.03 -0.02 -0.04 0.03 0.03 0.01 0.01 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.06 0.12 -0.09 0.16 -0.11 0.23 0.25 -0.18 0.36 0.27 0.51 -0.39 -0.37 -0.15 -0.08 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.01 -0.02 0.01 0.01 -0.01 0.02 -0.03 0.03 -0.05 0.02 0.03 -0.03 0.01 0.00 0.00 0.01 -0.00 0.01 -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 -0.00 -0.00 -0.00 -0.00 0.00 -0.01 0.00 -0.00 -0.00 0.01 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.10 0.19 -0.15 -0.14 0.10 -0.20 0.39 -0.29 0.58 -0.20 -0.38 0.29 -0.10 -0.04 -0.03 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.02 -0.01 0.03 -0.02 -0.01 -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 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.20 0.06 -0.32 0.23 0.17 0.87 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 0.01 0.02 0.02 0.04 -0.01 0.07 -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 0.01 -0.01 -0.00 0.00 -0.01 0.01 -0.01 0.02 -0.01 -0.01 0.01 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 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 0.05 0.01 0.01 0.03 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.03 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 -0.33 0.11 -0.55 -0.08 -0.06 -0.31 0.00 0.00 -0.00 -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 0.02 0.02 0.32 -0.08 0.59 0.00 0.00 -0.00 -0.02 -0.00 0.01 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 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 0.02 -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 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.01 0.00 -0.01 -0.00 -0.00 -0.01 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.01 0.00 -0.01 -0.00 0.00 0.00 -0.05 -0.00 0.03 0.32 0.79 -0.23 -0.40 -0.02 0.23 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.01 -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 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.01 -0.01 0.01 -0.04 0.03 -0.05 -0.00 0.01 -0.01 0.01 0.01 -0.01 -0.04 -0.01 -0.01 -0.09 0.03 -0.15 -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 -0.00 -0.00 0.00 -0.00 -0.01 -0.01 -0.09 0.02 -0.17 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.01 0.00 0.00 0.00 -0.00 0.09 0.17 -0.13 0.42 -0.29 0.60 0.06 -0.04 0.09 -0.08 -0.15 0.11 0.41 0.16 0.09 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.03 0.01 -0.04 -0.00 -0.00 -0.02 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.03 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 -0.01 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -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 -0.01 -0.00 -0.00 0.32 -0.10 0.53 0.05 0.03 0.19 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.02 -0.01 0.01 -0.01 -0.00 0.00 0.00 0.01 -0.00 0.01 0.03 0.03 0.33 -0.07 0.61 -0.00 -0.00 0.00 0.07 0.01 -0.04 0.01 0.02 -0.01 -0.01 -0.00 0.00 0.02 0.05 -0.04 0.12 -0.08 0.16 0.02 -0.01 0.02 -0.02 -0.04 0.03 0.11 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 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.06 -0.00 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 -0.02 -0.03 0.02 0.01 -0.01 0.02 0.01 -0.00 0.01 -0.01 -0.01 0.01 -0.02 -0.01 -0.01 -0.03 0.01 -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 -0.01 0.00 -0.02 0.00 -0.00 -0.00 0.66 0.05 -0.37 0.02 0.05 -0.02 0.01 0.00 -0.01 0.19 0.36 -0.28 -0.13 0.09 -0.18 -0.05 0.03 -0.07 0.07 0.14 -0.11 0.23 0.09 0.05 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 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 0.03 -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 0.04 -0.03 -0.01 0.01 -0.02 -0.01 0.00 -0.00 0.01 0.02 -0.01 0.03 0.01 0.01 -0.02 0.01 -0.04 -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 -0.01 0.00 -0.02 0.00 -0.00 -0.00 0.55 0.04 -0.31 0.02 0.05 -0.01 0.01 0.00 -0.01 -0.22 -0.42 0.32 0.15 -0.10 0.21 0.04 -0.03 0.06 -0.09 -0.17 0.13 -0.31 -0.12 -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 0.02 0.03 -0.03 0.01 -0.01 0.01 -0.02 0.02 -0.03 -0.01 -0.02 0.02 -0.05 -0.02 -0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.02 0.00 -0.01 0.00 0.00 -0.00 0.01 0.00 -0.00 -0.20 -0.38 0.29 -0.11 0.07 -0.15 0.21 -0.16 0.31 0.11 0.22 -0.17 0.59 0.23 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 0.00 0.00 -0.00 -0.01 -0.04 0.01 0.00 0.00 -0.00 -0.07 -0.00 0.04 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.05 -0.00 0.03 0.16 0.41 -0.12 0.77 0.04 -0.44 0.00 0.00 -0.00 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 17 9 8 8 8 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 1 298.150 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 17 17 9 8 8 8 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 34.96885 34.96885 18.99840 15.99491 15.99491 15.99491 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 433.06478 0.99871 -0.05043 0.00614 0.05047 0.9987 -0.00701 -0.00578 0.00731 0.99996 asymmetric 1 0.00797 0.00627 0.00413 0.16602 0.13058 0.08607 918751.0 11.40 28.22 37.73 51.92 66.47 75.00 82.83 96.86 108.84 113.96 117.65 152.36 189.13 207.89 220.14 259.36 275.34 310.51 324.09 345.53 355.74 360.64 381.00 431.99 448.23 466.56 490.20 503.26 531.56 555.32 576.82 608.42 623.98 637.01 671.22 676.04 709.31 719.49 728.00 763.55 819.38 832.93 858.56 879.18 906.01 925.85 943.27 956.58 1010.70 1037.13 1061.10 1089.67 1102.61 1124.28 1165.47 1187.13 1198.41 1204.40 1214.31 1238.38 1293.43 1312.28 1317.51 1335.13 1374.22 1389.47 1403.44 1414.82 1417.18 1435.26 1443.27 1444.62 1459.18 1467.60 1496.00 1502.42 1546.05 1588.49 1594.98 1623.07 1630.21 1661.33 1668.28 1695.34 1713.04 1744.29 1748.52 1789.20 1820.24 1835.77 1843.95 1881.78 1897.56 1899.23 1909.66 1930.93 1942.17 1962.76 1978.73 2037.00 2052.97 2084.51 2090.21 2127.45 2132.14 2135.23 2154.44 2173.09 2176.37 2204.94 2337.60 2345.35 2358.84 2370.81 2405.85 2476.79 3394.06 4350.26 4356.08 4428.94 4436.56 4442.87 4474.39 4509.10 4562.21 4570.32 4571.33 4577.48 4589.02 4590.58 4590.70 4597.71 4598.50 4605.76 4610.91 0.349934 0.377233 0.378177 0.288256 -2149.885333 -2149.858034 -2149.857089 -2149.947011 236.717 102.151 189.255 0.000 0.000 0.000 0.889 2.981 44.087 0.889 2.981 36.397 234.940 96.190 108.771 1 0.593 1.987 8.473 2 0.593 1.986 6.673 3 0.593 1.985 6.097 4 0.594 1.982 5.463 5 0.595 1.979 4.974 6 0.596 1.977 4.735 7 0.596 1.974 4.539 8 0.598 1.970 4.230 9 0.599 1.965 4.001 10 0.600 1.963 3.911 11 0.600 1.962 3.848 12 0.605 1.945 3.343 13 0.612 1.922 2.925 14 0.616 1.909 2.744 15 0.619 1.899 2.634 16 0.629 1.866 2.326 17 0.634 1.852 2.215 18 0.645 1.817 1.994 19 0.650 1.803 1.916 20 0.657 1.779 1.802 21 0.661 1.767 1.750 22 0.663 1.762 1.726 23 0.671 1.738 1.630 24 0.693 1.673 1.416 25 0.700 1.652 1.354 26 0.709 1.627 1.288 27 0.720 1.594 1.209 28 0.727 1.576 1.167 29 0.742 1.535 1.082 30 0.755 1.500 1.016 31 0.767 1.468 0.959 32 0.785 1.421 0.882 33 0.794 1.397 0.847 34 0.802 1.377 0.818 35 0.824 1.324 0.747 36 0.827 1.317 0.738 37 0.849 1.266 0.676 38 0.855 1.250 0.658 39 0.861 1.237 0.643 40 0.886 1.182 0.586 41 0.926 1.097 0.505 42 0.935 1.077 0.487 43 0.955 1.039 0.455 44 0.970 1.008 0.431 0.234276e+29 28.369728 65.323712 0.329158e+13 12.517405 28.822390 0.100000e+01 0.000000 0.000000 0.354228e+09 8.549283 19.685452 0.200928e+08 7.303040 16.815870 ./ancestor::cml:module[@dictRef='cc:finalization']/cml:molecule[@id='mol9999'] -3.5016 3.1993 -3.6563 5.9888 -178.5718 -184.2672 -199.9976 0.2863 -1.3405 -12.7948 9.0404 3.3450 -12.3854 0.2863 -1.3405 -12.7948 31.4099 2.1766 -51.8823 -67.5792 84.2042 -66.8815 -50.0044 -73.9235 -3.9471 -32.5226 -8188.3662 -6652.5935 -1739.0196 153.5653 -148.4203 19.5587 -273.8808 -136.9842 -183.6776 -2512.7551 -1701.5032 -1584.7974 -127.7434 -57.1111 -168.7315 (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A) (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(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 -2150.2352667 4.926E-9 5.745E-6 0.3499338 0.3772332 -2149.8580335 -2149.8570894 -2149.9470106 6.4844798,2.4569871,-8.941467,-0.843395,-3.1655127,-9.2117247 C01 [X(C22H18Cl2F1N1O3)] -1.1681184 1.4807213 -1.4122463 -0.2361089 0.0559738 -0.3421309 -0.0134995 -0.1739431 0.1656042 -0.2584353 0.3269652 -0.6929483 -0.6789444 -0.5213404 -0.1792895 -0.4138954 -0.4201477 -0.0217401 -0.3057267 -0.1340023 -0.2213871 -0.4549874 0.4511448 0.1777988 0.5437126 -1.4937802 -0.369849 0.2174386 -0.3700582 -0.2925236 -1.4688501 0.3654078 -0.5147215 0.2055765 -0.5398961 0.0641333 -0.8070051 0.2505182 -1.5006491 -1.4078886 -0.1086606 0.6971085 0.0032647 -0.4823672 0.1181918 0.3241284 0.2263902 -1.4503072 -2.3222093 -1.1669205 0.0224015 -0.9191009 -1.2362155 0.1761365 0.2373875 0.390922 -0.3617892 -0.3820883 -0.0635125 -0.0477607 -0.0132329 -0.3998012 -0.0283718 -0.021725 -0.1660539 -0.5123258 0.5635446 -0.0180989 -0.1011749 0.1223668 0.3903486 -0.0749273 -0.5647018 -0.1804444 0.4609137 0.1203105 -0.0952793 -0.0775809 -0.5160096 -0.3625259 0.2774402 -0.1444046 0.220602 0.0150249 -1.2103726 -0.0461978 0.3791793 0.3594737 0.0794065 -0.1569838 0.3169798 -0.1341719 -0.1573524 -0.0452665 0.0557376 -0.0483842 0.0030868 0.0310302 -0.001626 -0.0004222 0.0873623 -0.0085093 -0.0009958 -0.0413943 -0.0513561 -0.0013464 0.0536218 -0.0236955 0.0417793 -0.0689852 0.0288451 -0.026136 0.3413876 -0.1416466 0.1640845 0.0478956 -0.0425357 0.108517 0.1444373 -0.3231358 2.6202939 -0.0367631 -0.542324 -0.1336514 0.339671 -0.2539345 0.5014776 -0.4821089 2.3075317 0.8292713 0.4356487 0.6694096 0.448085 0.505766 -0.2345684 0.6600422 -0.2887951 1.0266637 1.1894825 -0.3172108 0.4034389 -0.1885961 0.789073 0.1712004 0.2062537 0.1152137 0.658457 -0.0477365 -0.0705231 -0.206604 0.0562777 -0.0082692 -0.0208777 -0.1283331 0.0008944 -0.1220691 0.0559175 0.157488 0.109718 0.0352305 0.0650037 0.0147799 0.0139353 0.1052521 0.2889627 -0.1110974 0.0791174 -0.0045333 -0.2767284 -0.2151761 0.0725896 0.0594778 -0.0701879 -0.1556781 -0.0732512 -0.0159305 -0.0810863 -0.0150618 -0.0482402 -0.0144928 -0.0752862 0.0026668 -0.0963636 0.7162912 0.9259502 -0.1428683 1.0431842 1.2188473 -0.2166101 -0.449389 -0.5015815 0.1631891 -0.0820499 -0.0869341 -0.072051 0.0799074 -0.1818994 -0.0300383 -0.0507399 0.0299188 -0.1030544 0.3912851 -0.6718597 -0.213785 -0.573841 1.5017293 0.3372188 -0.2458489 0.4346689 0.2820553 2.1015309 0.8185732 0.1465481 0.2929489 0.2115225 -0.0310564 0.210411 -0.027102 0.2421386 -0.4239935 -0.1594938 0.0461898 0.1451838 -0.1259223 -0.0134541 -0.2221897 -0.1171315 -0.1510879 -0.3332448 -0.0830675 -0.0122737 -0.2192501 -0.1998003 -0.1072061 0.1596354 -0.0530085 -0.080504 0.1610767 0.1213581 -0.0058663 0.0381133 0.0054883 -0.1630118 0.067514 -0.1343393 -0.019026 0.1256467 0.047036 0.0983278 0.0666453 -0.055693 -0.121128 0.0183912 -0.1593715 0.0518222 -0.0535261 -0.0255425 0.0278732 -0.0209605 -0.2491627 0.0250646 0.0083193 0.0062836 -0.2059674 0.0411085 -0.0580537 -0.0188901 -0.0192933 0.0408035 0.0609866 -0.0395497 0.0481649 0.018166 -0.0232162 0.0057097 -0.0162371 -0.0637414 0.1274277 -0.0296269 0.0185488 -0.0128817 -0.0282601 0.0564452 -0.1411461 0.0237238 -0.0997188 -0.1669871 0.0478205 0.0346985 0.0596768 0.0166691 -0.0550782 0.061648 0.1304076 0.0440735 0.0289997 -0.0677722 0.1170284 -0.1142238 -0.0181904 0.0032531 0.0161874 -0.1114361 0.057196 0.0370987 0.051516 -0.1116669 0.0273575 0.0202309 -0.120261 0.1106732 0.0830001 0.0659017 0.0693267 -0.0038812 0.1046982 -0.0116238 -0.0240373 0.0426697 -0.0561964 0.031772 -0.0232861 -0.1540943 0.1094424 -0.004678 0.1243805 0.0570238 0.0406844 -0.0014676 -0.0610064 -0.0487986 -0.007997 -0.136236 -0.0949338 -0.1001991 -0.0391571 0.0936775 -0.0638786 -0.030875 -0.0214819 0.1243987 0.0634992 -0.0804485 0.0103167 0.0599432 0.0165281 -0.0070609 -0.0854328 -0.021089 0.0467312 -0.0405983 0.026809 0.0031781 0.0662575 0.0717217 -0.0113159 0.0714212 0.0062153 0.1473495 -0.0076072 0.0797332 0.0095715 0.1368385 0.102934 -0.0490838 0.0398729 -0.0701928 0.0014061 0.0315427 0.0518731 0.0426454 0.1495236 0.0516272 0.0340614 0.0864695 0.0150414 0.1103954 -0.0190978 0.0975947 -0.0128 0.1475352 0.0777306 -0.0587198 0.0286041 -0.0735613 0.0958981 0.0968322 0.0691479 0.1107014 0.1023876 0.0741165 0.0289588 -0.0825074 0.0263089 0.1373393 0.0838712 -0.0816945 0.093257 0.0521798 0.048444 0.0180379 -0.0809956 0.029576 0.0896249 0.1156065 -0.0911859 0.1035772 0.0306137 0.0511032 -0.0954561 0.0496617 -0.0825043 0.0547577 0.1059465 0.0539892 0.1184444 0.0596968 -0.0893918 -0.0589911 -0.0501088 -0.0226128 0.1709574 0.0415043 -0.0274441 0.0457037 0.1216534 434.3484037|44.3235779|410.3877042|-12.8177293|-28.887176|347.3600524 0.000002495 -0.000003003 -0.000003793 0.000000920 0.000001501 0.000000238 0.000003500 -0.000003524 -0.000006411 0.000007366 -0.000003416 0.000006529 0.000007081 0.000003957 -0.000009766 0.000011702 0.000004845 -0.000002613 0.000004108 0.000002996 0.000018893 -0.000003626 0.000008365 0.000010975 -0.000011188 -0.000002093 -0.000010593 0.000016019 -0.000003772 0.000004989 -0.000003938 -0.000003683 0.000002605 -0.000001810 -0.000002311 -0.000000219 0.000004876 0.000001592 0.000002970 -0.000014394 0.000000854 0.000010326 -0.000006988 -0.000007096 0.000006782 -0.000014646 0.000011013 0.000007016 -0.000002125 -0.000007939 0.000001968 -0.000006195 -0.000007772 -0.000021416 0.000001749 0.000015119 -0.000000912 0.000004821 -0.000000206 -0.000005752 0.000000907 -0.000017147 -0.000003117 0.000002844 0.000010434 -0.000000849 -0.000005803 0.000008774 0.000002856 -0.000006742 0.000003404 -0.000007808 0.000000879 0.000003062 -0.000003149 0.000002120 -0.000004954 0.000000158 -0.000001248 -0.000000143 -0.000001901 0.000003876 -0.000000012 -0.000002408 0.000002871 -0.000002763 -0.000003635 0.000003876 -0.000002219 0.000003661 -0.000004472 0.000001233 0.000001986 -0.000002308 0.000000302 0.000004427 -0.000001484 -0.000002908 0.000005068 0.000000657 -0.000002555 0.000002894 -0.000002541 -0.000001083 0.000004858 -0.000002491 0.000000264 0.000003922 -0.000002781 -0.000000676 0.000003988 0.000000615 -0.000002140 -0.000000218 -0.000000041 0.000001985 -0.000002098 -0.000000644 -0.000000320 -0.000000821 -0.000000286 0.000005066 0.000000896 0.000000386 0.000002129 -0.000002954 0.000002102 0.000000600 -0.000002003 0.000004565 -0.000001757 -0.000004549 0.000000708 0.000000476 -0.000003092 0.000002592 -0.000003928 -0.000004111 0.000002114 -0.000000551 -0.000003815 416.1447031999997 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;2;3;7;4;5;6;30;31;32;33;34;35;36;37;38;39;40;41;42;43;44;45;46;47/rA:47nCl0Cl0F0O0O0O0N0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:-2.7307,-.6087,1.826;-4.7834,-1.0834,-.2126;4.2204,-2.9992,-1.0226;.9366,2.2176,.2363;1.2481,2.4942,-1.9794;1.9534,-2.8055,.4205;2.8174,2.6529,2.9356;-1.8996,3.3069,-.3264;-1.8796,1.8198,-.0445;-.9787,2.3958,-1.1458;-1.3279,4.2302,.7325;-3.0588,3.9228,-1.0883;-2.9855,.9254,-.4187;.4919,2.3823,-1.0366;-3.4203,-.1082,.3;2.3674,2.1191,.4104;2.8825,.7405,.0361;2.6013,2.4229,1.8279;2.1563,-.3873,.416;4.0667,.6106,-.688;2.5998,-1.6521,.0483;4.5312,-.6555,-1.0359;3.7898,-1.7645,-.6699;.5993,-2.9652,.141;-.0388,-2.3169,-.915;-.082,-3.8735,.9475;-1.3858,-2.5885,-1.1559;-1.4235,-4.1412,.6867;-2.0806,-3.501,-.3642;-1.3482,1.55,.8587;-1.2944,2.2362,-2.1694;-.911,5.1297,.268;-2.1296,4.5428,1.4088;-.5481,3.7578,1.3282;-3.8968,4.1083,-.4088;-2.7521,4.8824,-1.5153;-3.4158,3.2943,-1.9056;-3.5051,1.118,-1.3504;2.8695,2.8839,-.187;1.2349,-.295,.978;4.6221,1.4905,-.99;5.4447,-.7906,-1.6019;.5011,-1.617,-1.5403;.4451,-4.3592,1.7603;-1.8888,-2.0819,-1.9719;-1.9568,-4.8475,1.3134;-3.127,-3.7029,-.5563; Gaussian 16 3-Oct-2024 Gaussian 16 3-Jul-2019 EM64L-G16RevC.01 135 C1[X(C22H18Cl2FNO3)] RB3LYP 6-311+G(d,p) SP #P B3LYP 6-311+G(d,p) EmpiricalDispersion=gd3 scrf=(smd,Solvent=n-Octanol) geom=check guess=read output=wfx 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 416.1447031999997 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;2;3;7;4;5;6;30;31;32;33;34;35;36;37;38;39;40;41;42;43;44;45;46;47/rA:47nCl0Cl0F0O0O0O0N0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:-2.7307,-.6087,1.826;-4.7834,-1.0834,-.2126;4.2204,-2.9992,-1.0226;.9366,2.2176,.2363;1.2481,2.4942,-1.9794;1.9534,-2.8055,.4205;2.8174,2.6529,2.9356;-1.8996,3.3069,-.3264;-1.8796,1.8198,-.0445;-.9787,2.3958,-1.1458;-1.3279,4.2302,.7325;-3.0588,3.9228,-1.0883;-2.9855,.9254,-.4187;.4919,2.3823,-1.0366;-3.4203,-.1082,.3;2.3674,2.1191,.4104;2.8825,.7405,.0361;2.6013,2.4229,1.8279;2.1563,-.3873,.416;4.0667,.6106,-.688;2.5998,-1.6521,.0483;4.5312,-.6555,-1.0359;3.7898,-1.7645,-.6699;.5993,-2.9652,.141;-.0388,-2.3169,-.915;-.082,-3.8735,.9475;-1.3858,-2.5885,-1.1559;-1.4235,-4.1412,.6867;-2.0806,-3.501,-.3642;-1.3482,1.55,.8587;-1.2944,2.2362,-2.1694;-.911,5.1297,.268;-2.1296,4.5428,1.4088;-.5481,3.7578,1.3282;-3.8968,4.1083,-.4088;-2.7521,4.8824,-1.5153;-3.4158,3.2943,-1.9056;-3.5051,1.118,-1.3504;2.8695,2.8839,-.187;1.2349,-.295,.978;4.6221,1.4905,-.99;5.4447,-.7906,-1.6019;.5011,-1.617,-1.5403;.4451,-4.3592,1.7603;-1.8888,-2.0819,-1.9719;-1.9568,-4.8475,1.3134;-3.127,-3.7029,-.5563; oldchk=/home/proyectos/herbicida/NuevosCalculos/Insecticides_unique/G3_insectic #P B3LYP 6-311+G(d,p) EmpiricalDispersion=gd3 scrf=(smd,Solvent=n-Octa 1/29=2,38=1,172=1/1 2/12=2,40=1/2 3/5=4,6=6,7=111,11=2,14=-4,25=1,30=1,70=32201,72=25,74=-5,116=-2,124=31/1,2,3 4/5=1/1 5/5=2,38=6,53=25/2 6/7=2,8=2,9=2,10=2,28=1/1 99/5=1,6=200,9=1/99 Wavefunction Cyfluthrin_beta CONF27 octanol Redundant internal coordinates found in file. (old form). 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 35 35 19 16 16 16 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 34.9688527 34.9688527 18.9984033 15.9949146 15.9949146 15.9949146 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 3 3 1 0 0 0 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 14.2400000 14.2400000 6.7500000 5.6000000 5.6000000 5.6000000 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 (Enter /usr/local/gaussian/gaussian16/g16/l101.exe) 6-311+G(d,p) (5D, 7F) 0.10000e-02 0.10000e-05 F 791 A 762 A 762 1222 791 112 112 3102.3487744702 47 47 47 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 -0.0595549824 PCM SMD-Coulomb. Total charges None On-the-fly selection n-Octanol 9.862900 2.043470 0.000000 2.931662 0.000000 7.883306 9.240954 0.000000 4.895310 6.619427 6.291536 0.000000 6.319815 7.231945 6.318840 2.254517 0.000000 5.361190 6.982244 2.694275 5.128293 5.860372 0.000000 6.530756 9.035688 7.041491 3.318619 5.161881 6.071778 0.000000 4.544770 5.253909 8.815103 3.089878 3.647085 7.263942 5.772254 0.000000 3.181263 4.109609 7.835136 2.857988 3.739189 6.025074 5.624676 1.513700 0.000000 4.574711 5.239452 7.493461 2.368607 2.379779 6.172858 5.579822 1.532827 1.535041 0.000000 5.155418 6.408413 9.280554 3.069988 4.123579 7.769533 4.952324 1.516777 2.591931 2.648555 0.000000 5.397662 5.366840 10.045099 4.541482 4.624291 8.524547 7.234219 1.517701 2.627264 2.580996 2.530924 0.000000 2.730758 2.703785 8.227466 4.181073 4.777049 6.246304 6.921646 2.618957 1.470682 2.591878 3.872263 3.072121 0.000000 5.246502 6.365513 6.546972 1.358343 1.213781 5.583250 4.610792 2.660576 2.631518 1.474731 3.139428 3.870779 3.820548 0.000000 1.747778 1.752690 8.275706 4.939202 5.810527 6.013901 7.312929 3.790397 2.491851 3.784381 4.835943 4.278594 1.331865 4.826430 0.000000 5.952764 7.859939 5.628841 1.444749 2.665448 4.941939 2.619964 4.490167 4.281797 3.700659 4.268061 5.911262 5.546680 2.383395 6.202453 0.000000 6.044145 7.883827 4.110533 2.451197 3.131919 3.685781 3.473990 5.439328 4.883525 4.364134 5.512756 6.832970 5.888440 3.092101 6.365125 1.518482 0.000000 6.133612 8.425694 6.336159 2.312268 4.041222 5.453189 1.151796 5.067619 4.893687 4.654027 4.461500 6.541411 6.204994 3.557573 6.708259 1.468449 2.473895 0.000000 5.091174 7.002863 3.626616 2.881902 3.855618 2.426739 4.003496 5.536118 4.622972 4.473606 5.793198 6.930835 5.371946 3.542737 5.584810 2.515200 1.394081 3.176271 0.000000 7.349204 9.023288 3.628542 3.637879 3.627643 4.167024 4.343097 6.557237 6.101993 5.371421 6.649890 7.867802 7.064263 4.004913 7.585981 2.523769 1.394105 3.429545 2.421555 0.000000 5.715170 7.409729 2.363861 4.216213 4.809477 1.373527 5.188155 6.706501 5.668161 5.533316 7.106126 8.024396 6.169041 4.679449 6.220045 3.795647 2.409297 4.446693 1.389877 2.795294 0.000000 7.805592 9.360716 2.364324 4.774304 4.646405 3.659026 5.445662 7.586748 6.943186 6.299286 7.831089 8.863970 7.705818 5.054086 8.081456 3.804147 2.411664 4.626266 2.796404 1.392715 2.428794 0.000000 7.076901 8.612425 1.354371 4.981898 5.129497 2.375916 5.784374 7.629333 6.736518 6.346137 8.005909 8.911964 7.294035 5.311018 7.461228 4.274619 2.756232 5.018610 2.396738 2.391233 1.394498 1.383302 0.000000 4.413683 5.713089 3.803641 5.194599 5.892542 1.391902 6.655273 6.767651 5.392100 5.734609 7.472414 7.895291 5.319750 5.476672 4.934008 5.389645 4.353853 5.990457 3.024182 5.049360 2.394770 4.709542 3.504123 0.000000 4.204423 4.952449 4.314802 4.778986 5.092782 2.447654 6.905356 5.952827 4.610715 4.811092 6.873190 6.934259 4.409273 4.730702 4.217740 5.217699 4.334304 6.079455 3.211486 5.047413 2.886549 4.864111 3.876005 1.393682 0.000000 4.294853 5.588682 4.812121 6.216474 7.133284 2.358275 7.413017 7.515555 6.052133 6.670065 8.201694 8.589908 5.772816 6.587957 5.073531 6.496058 5.559473 6.900750 4.176893 6.324028 3.596563 5.964164 4.696290 1.392715 2.427656 0.000000 3.823587 3.833949 5.622774 5.516354 5.783579 3.698980 7.866349 5.975547 4.572949 5.000902 7.075567 6.723066 3.930594 5.314994 3.522886 6.221005 5.542672 7.065017 4.456787 6.338935 4.267566 6.225873 5.263280 2.400880 1.395076 2.788416 0.000000 3.935168 4.631264 6.006579 6.797619 7.633822 3.641220 8.318816 7.531758 6.022997 6.803606 8.372103 8.417427 5.415959 7.013961 4.516927 7.323835 6.541854 7.783933 5.194283 7.389935 4.773895 7.111669 5.887930 2.402579 2.794806 1.392517 2.409936 0.000000 3.685808 3.629495 6.355140 6.493617 7.045047 4.168103 8.529395 6.810407 5.334204 6.049621 7.844822 7.522883 4.518287 6.456329 3.707760 7.209069 6.540895 7.862538 5.315652 7.402650 5.049283 7.229404 6.129525 2.779234 2.423746 2.419436 1.393655 1.395085 0.000000 2.739827 4.459027 7.432622 2.460391 3.960752 5.482974 4.783554 2.189803 1.082099 2.206827 2.683275 3.513834 2.168534 2.769680 2.712023 3.785618 4.385287 4.159346 4.028736 5.709266 5.147540 6.559022 6.302534 4.969317 4.451228 5.569983 4.602917 5.694301 5.248300 0.000000 5.110699 5.198294 7.690066 3.281005 2.562640 6.532550 6.568228 2.215701 2.243019 1.083003 3.521093 2.669515 2.764539 2.120267 4.014127 4.480838 4.954548 5.584763 5.047199 5.794631 5.933139 6.601780 6.641011 5.998137 4.886806 6.965100 4.930810 6.988966 6.065677 3.105360 0.000000 6.218366 7.336869 9.699264 3.448880 4.081423 8.437733 5.210706 2.157212 3.462880 3.078561 1.094877 2.812362 4.738296 3.349319 5.808019 4.453316 5.805944 4.700611 6.314034 6.790654 7.639831 8.048911 8.396847 8.235509 7.590279 9.066748 7.862781 9.294538 8.732556 3.654408 3.802675 0.000000 5.203176 6.428490 10.154564 4.022740 5.204325 8.464312 5.511380 2.142704 3.096632 3.529842 1.094390 2.735566 4.142204 4.185619 4.952435 5.205196 6.439101 5.200999 6.607546 7.632287 7.911677 8.795651 8.896169 8.088428 7.538340 8.673992 7.614822 8.742536 8.237038 3.141645 4.338344 1.769441 0.000000 4.906915 6.614308 8.597791 2.401815 3.970268 7.082258 3.889890 2.183493 2.722688 2.856743 1.089113 3.488569 4.124923 2.926705 4.924668 3.468152 4.747880 3.456914 5.032641 5.938517 6.388636 7.131951 7.301080 6.922710 6.495640 7.654952 6.866413 7.973235 7.609438 2.394808 3.886554 1.771387 1.767402 0.000000 5.348328 5.270570 10.806578 5.229952 5.616213 9.094705 7.640920 2.153518 3.072327 3.462793 2.813589 1.094693 3.310864 4.757481 4.302140 6.623321 7.582770 7.075896 7.584901 8.702193 8.694689 9.701393 9.676879 8.399456 7.511607 8.949920 7.191004 8.681774 7.823240 3.827147 3.657442 3.227427 2.572050 3.788619 0.000000 6.427769 6.435339 10.534591 4.876020 4.681929 9.219132 7.469981 2.149973 3.507699 3.076430 2.739726 1.094160 4.112724 4.123467 5.352287 6.128113 7.163132 6.773820 7.455979 8.088755 8.589973 9.162065 9.364415 8.692433 7.717006 9.479404 7.603250 9.382941 8.488648 4.325701 3.091125 2.575102 3.008842 3.769309 1.770182 0.000000 5.443146 4.888925 9.934747 4.968925 4.732603 8.452629 7.918423 2.189234 2.828068 2.706283 3.492054 1.091033 2.829831 4.105723 4.054842 6.339598 7.068260 7.134672 7.070531 8.041866 8.029494 8.916898 8.890403 7.712995 6.623570 8.404255 6.268210 8.122653 7.094763 3.867709 2.385269 3.790412 3.768048 4.346930 1.770404 1.764817 0.000000 3.697322 2.788360 8.760207 4.843032 4.988248 6.951599 7.790965 2.901211 2.199986 2.838518 4.331733 2.852114 1.083979 4.203917 2.057734 6.211967 6.547176 7.006564 6.118598 7.617546 6.848325 8.235597 7.873187 5.978431 4.899317 6.473942 4.273997 6.011853 4.933246 3.117469 2.609260 5.044036 4.608035 4.784016 3.159450 3.842470 2.247841 0.000000 6.900233 8.620225 6.093814 2.087930 2.448127 5.794644 3.131614 4.789918 4.868991 3.995795 4.502963 6.085737 6.178225 2.574173 6.982243 1.092727 2.155052 2.084307 3.401912 2.617674 4.550160 4.001115 4.763199 6.282801 6.003090 7.460656 6.999560 8.279269 8.081043 4.545602 4.656993 4.420701 5.503573 3.839232 6.879756 6.112355 6.528930 6.716200 0.000000 4.067339 6.185394 4.497590 2.636753 4.065266 2.670120 3.876465 4.949785 3.901022 4.080581 5.206348 6.363558 4.609942 3.432041 4.708003 2.726301 2.161962 3.158626 1.083237 3.408040 2.137527 3.879595 3.376788 2.869517 3.048536 3.813182 4.084281 4.684535 4.803391 3.176585 4.765540 5.876783 5.908423 4.441523 6.902670 6.994147 6.544268 5.466718 3.759686 0.000000 8.148598 9.782275 4.507779 3.951618 3.656460 5.250404 4.474232 6.802371 6.578317 5.675598 6.773148 8.057338 7.649842 4.225594 8.300566 2.727580 2.154447 3.590773 3.403352 1.083488 3.878631 2.148371 3.374929 6.108610 6.018771 7.392891 7.263608 8.430685 8.380517 6.250261 6.078760 6.740973 7.788143 6.102899 8.930914 8.133823 8.288474 8.143635 2.378623 4.305153 0.000000 8.866775 10.326178 2.590827 5.722842 5.342620 4.509807 6.272887 8.506169 7.929977 7.184766 8.747904 9.735906 8.683968 5.909048 9.092315 4.688796 3.404718 5.493176 3.879135 2.167343 3.399781 1.083075 2.134359 5.589652 5.733202 6.822594 7.077172 7.977190 8.093703 7.594477 7.409339 8.884839 9.740529 8.073812 10.615329 9.968809 9.761464 9.154428 4.704823 4.962218 2.500897 0.000000 4.774201 5.474868 4.001428 4.248516 4.201534 2.714111 6.605358 5.610823 4.440337 4.295106 6.534547 6.600430 4.458439 4.030922 4.587004 4.609363 3.703191 5.663607 2.842369 4.289681 2.632404 4.173754 3.405121 2.157304 1.082803 3.408960 2.156862 3.877582 3.405617 4.382332 4.297254 7.126112 7.318468 6.182003 7.307585 7.268110 6.292569 4.854442 5.262968 2.937300 5.190504 5.012508 0.000000 4.914940 6.477749 4.883322 6.768960 7.848577 2.546412 7.495259 8.283791 6.844106 7.490215 8.830534 9.433091 6.666657 7.298874 5.928375 6.890987 5.909380 7.116996 4.529003 6.618822 3.860306 6.183242 4.881148 2.142287 3.400342 1.083759 3.871967 2.166037 3.410221 6.240796 7.871970 9.700815 9.273518 8.188973 9.759971 10.313042 9.323235 7.435070 7.882462 4.213470 7.696136 7.002473 4.291518 0.000000 4.159656 3.531477 6.250128 5.598633 5.548119 4.583590 8.285534 5.634427 4.351809 4.643365 6.889916 6.181088 3.557929 5.145117 3.376768 6.437292 5.896013 7.408975 4.993669 6.660702 4.940996 6.642781 5.834571 3.381493 2.143526 3.872538 1.084144 3.394909 2.152934 4.636278 4.363304 7.614511 7.441331 6.840331 6.692878 7.032435 5.589313 3.638430 7.105415 4.653159 7.491146 7.455444 2.472657 4.956036 0.000000 4.339210 4.948395 6.857882 7.710191 8.661102 4.500763 9.037704 8.317762 6.804550 7.711639 9.117937 9.159655 6.114263 7.986786 5.062586 8.249052 7.501700 8.596514 6.133238 8.371262 5.707315 8.073785 6.816299 3.383941 3.879185 2.144128 3.395067 1.084394 2.154679 6.442376 7.921278 10.086157 9.392305 8.719813 9.323951 10.163829 8.875790 6.714118 9.236844 5.569911 9.421101 8.929646 4.961962 2.491467 4.294846 0.000000 3.925074 3.118243 7.395748 7.224494 7.718253 5.250770 9.376874 7.120084 5.684861 6.492822 8.235968 7.644459 4.632458 7.096289 3.706899 8.063408 7.497257 8.719179 6.312901 8.388828 6.112951 8.256209 7.184231 3.862091 3.403944 3.400385 2.152509 2.153963 1.082882 5.723526 6.421285 9.143566 8.535047 8.115647 7.850429 8.646747 7.131962 4.900414 8.915222 5.744022 9.338514 9.113097 4.299158 4.307903 2.482840 2.485035 0.000000 C22H18Cl2FNO3 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 0 416.1447031999997 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;2;3;7;4;5;6;30;31;32;33;34;35;36;37;38;39;40;41;42;43;44;45;46;47/rA:47nCl0Cl0F0O0O0O0N0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:-2.5561,-1.1044,1.7353;-4.4304,-1.9226,-.3652;4.7908,-2.1641,-.9193;.5798,2.3568,.2688;.8979,2.7084,-1.9353;2.4868,-2.4,.4573;2.2737,3.0982,3.0246;-2.3903,2.9191,-.3717;-2.1083,1.4575,-.0968;-1.2965,2.1988,-1.1682;-2.0258,3.9198,.7083;-3.6202,3.3222,-1.1643;-3.0223,.3812,-.5081;.1484,2.4513,-1.0157;-3.2821,-.7215,.1922;1.9992,2.5178,.4845;2.7665,1.2596,.1186;2.1341,2.8444,1.9098;2.247,.0149,.4711;3.9744,1.3542,-.571;2.923,-1.1446,.1103;4.6708,.1972,-.9115;4.1333,-1.0317,-.5732;1.1925,-2.7998,.1372;.4772,-2.2672,-.9338;.6653,-3.825,.9187;-.7907,-2.7762,-1.2157;-.5973,-4.329,.6171;-1.3301,-3.8079,-.4495;-1.5623,1.2792,.8202;-1.5491,1.9952,-2.2014;-1.7663,4.8848,.2609;-2.8895,4.0747,1.3623;-1.1901,3.5906,1.3243;-4.4967,3.3456,-.5088;-3.4811,4.3259,-1.5771;-3.834,2.648,-1.9949;-3.5419,.4859,-1.4536;2.3705,3.3672,-.094;1.3087,-.0675,1.0062;4.3689,2.3234,-.8521;5.6091,.2359,-1.451;.8983,-1.4745,-1.5393;1.2489,-4.2154,1.7442;-1.3543,-2.3609,-2.0435;-1.0108,-5.1268,1.2242;-2.3166,-4.1942,-.6733; 0.1660170 0.1305795 0.0860655 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= 762 RedAO= T EigKep= 1.26D-06 NBF= 762 NBsUse= 760 1.00D-06 EigRej= 9.59D-07 NBFU= 760 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= 776 776 776 776 776 MxSgAt= 47 MxSgA2= 47. 1 Closed 1 1 1 -2150.23526669729 -2150.23526670 1 2.143025651814e+03 -1.125972454802e+04 3.864172841718e+03 Using DIIS extrapolation, IDIIS= 1040. NGot= 2831155200 LenX= 2829882710 LenY= 2829256238 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. PT1927.700S Thu Oct 3 08:52:14 2024 -101.57182 -101.57127 -24.70524 -19.19401 -19.17891 -19.13284 -14.33715 -10.32609 -10.29477 -10.28883 -10.27472 -10.25779 -10.24559 -10.23620 -10.21197 -10.21084 -10.20335 -10.20263 -10.20225 -10.19711 -10.19572 -10.19509 -10.17988 -10.17918 -10.17907 -10.17699 -10.17181 -10.16397 -10.16125 -9.48644 -9.48580 -7.25126 -7.25066 -7.24107 -7.24085 -7.24040 -7.24022 -1.24351 -1.13517 -1.09673 -1.04647 -0.93745 -0.92395 -0.89820 -0.88984 -0.86279 -0.84319 -0.82163 -0.78301 -0.77517 -0.76028 -0.75584 -0.74273 -0.73265 -0.69606 -0.67414 -0.66057 -0.64132 -0.61885 -0.60652 -0.60372 -0.58608 -0.56779 -0.56490 -0.55416 -0.54576 -0.52619 -0.51236 -0.50920 -0.50014 -0.49348 -0.49189 -0.48812 -0.47595 -0.47108 -0.46422 -0.45704 -0.44797 -0.44214 -0.44047 -0.43390 -0.43079 -0.42501 -0.41857 -0.41211 -0.41104 -0.40463 -0.40295 -0.39799 -0.39013 -0.38731 -0.38215 -0.37767 -0.37570 -0.36908 -0.36743 -0.36189 -0.35262 -0.35090 -0.34575 -0.34320 -0.33771 -0.33501 -0.33251 -0.32200 -0.30979 -0.29271 -0.27661 -0.26487 -0.26359 -0.24619 -0.23596 -0.04502 -0.03663 -0.03374 -0.02148 -0.01734 -0.01221 -0.00654 -0.00301 0.00227 0.00860 0.01176 0.01489 0.01638 0.01872 0.02515 0.02971 0.03081 0.03421 0.04000 0.04127 0.04718 0.04855 0.05278 0.05523 0.05965 0.06421 0.06505 0.06839 0.07107 0.07651 0.07832 0.08363 0.08435 0.08856 0.09296 0.09456 0.09532 0.09752 0.09923 0.10476 0.10546 0.10960 0.11274 0.11507 0.11764 0.11885 0.12290 0.12564 0.12655 0.12984 0.13319 0.13490 0.13753 0.14016 0.14247 0.14387 0.14773 0.14994 0.15242 0.15477 0.15576 0.15711 0.15935 0.16434 0.16668 0.16862 0.17222 0.17515 0.17601 0.18053 0.18217 0.18527 0.18817 0.19104 0.19239 0.19442 0.19655 0.19842 0.20104 0.20549 0.20702 0.20885 0.20996 0.21204 0.21298 0.21513 0.21819 0.22014 0.22222 0.22376 0.22563 0.22734 0.22983 0.23277 0.23472 0.23551 0.23814 0.24069 0.24311 0.24467 0.24629 0.24660 0.24885 0.25254 0.25428 0.25529 0.26224 0.26417 0.26506 0.26618 0.26714 0.27071 0.27226 0.27557 0.27605 0.27845 0.28293 0.28358 0.28685 0.28872 0.29164 0.29369 0.29500 0.29830 0.30339 0.30915 0.31177 0.31279 0.31770 0.31787 0.32393 0.32518 0.32884 0.32960 0.33287 0.33359 0.34157 0.34622 0.34954 0.35240 0.35291 0.35715 0.35884 0.36102 0.36345 0.36483 0.37122 0.37235 0.37559 0.38170 0.38752 0.38936 0.39386 0.39471 0.40440 0.40761 0.41161 0.41692 0.42320 0.42848 0.43571 0.44237 0.44480 0.44935 0.46139 0.46442 0.47129 0.47589 0.48401 0.48793 0.49377 0.49541 0.50293 0.50721 0.51637 0.51899 0.52238 0.52978 0.53122 0.54071 0.54629 0.54934 0.55570 0.56437 0.56792 0.57005 0.57897 0.58144 0.58473 0.58813 0.59383 0.59538 0.59712 0.60201 0.60653 0.61435 0.61717 0.61988 0.63241 0.63530 0.63859 0.64453 0.64949 0.65063 0.65404 0.66072 0.66264 0.66740 0.67287 0.67726 0.67827 0.68169 0.69150 0.69218 0.69423 0.70206 0.70419 0.70860 0.70918 0.71357 0.71571 0.71817 0.72036 0.72564 0.72827 0.72905 0.73301 0.73799 0.74730 0.75269 0.75451 0.75776 0.76533 0.76838 0.77140 0.77657 0.78184 0.78229 0.78539 0.79423 0.79580 0.80611 0.81063 0.81369 0.81451 0.81893 0.82411 0.83012 0.83110 0.83860 0.84751 0.84846 0.84977 0.85334 0.85649 0.86511 0.87518 0.88688 0.88798 0.89051 0.89628 0.90647 0.91026 0.92077 0.92340 0.93131 0.93310 0.94037 0.94750 0.94879 0.95119 0.95902 0.96617 0.97165 0.97250 0.98491 0.98881 0.99371 1.00553 1.00877 1.01086 1.01787 1.02055 1.02399 1.03215 1.03840 1.04355 1.05264 1.05750 1.06290 1.07323 1.07597 1.08475 1.08755 1.09160 1.10394 1.10678 1.10744 1.12122 1.12866 1.13210 1.14550 1.14876 1.15579 1.16316 1.18010 1.18629 1.19840 1.20057 1.20974 1.22758 1.24107 1.24808 1.25037 1.26734 1.27785 1.28347 1.30471 1.30878 1.32221 1.32484 1.33410 1.34566 1.35610 1.36547 1.37119 1.38063 1.39215 1.39304 1.40451 1.41907 1.43414 1.44625 1.45292 1.45873 1.46518 1.47469 1.47678 1.48506 1.48994 1.50457 1.50789 1.51246 1.51333 1.51609 1.52799 1.53141 1.54123 1.54966 1.55629 1.57112 1.57130 1.57720 1.58161 1.58355 1.58807 1.59366 1.60356 1.61244 1.61421 1.62036 1.62638 1.63213 1.64265 1.64590 1.65210 1.66569 1.66799 1.67209 1.67904 1.68760 1.69588 1.70590 1.70882 1.71532 1.72022 1.73081 1.73575 1.73633 1.74448 1.75552 1.75750 1.76800 1.77685 1.78977 1.79947 1.80120 1.81084 1.81814 1.82738 1.83028 1.83563 1.84725 1.85137 1.85852 1.86779 1.87925 1.89480 1.90155 1.90849 1.92022 1.92784 1.93070 1.93626 1.93794 1.94176 1.95986 1.96472 1.97256 1.98024 1.98751 1.99099 2.00032 2.00492 2.01267 2.01883 2.02490 2.03488 2.04199 2.04461 2.05588 2.06097 2.06775 2.07830 2.08060 2.09183 2.09644 2.10449 2.11014 2.11462 2.13609 2.13872 2.15372 2.16751 2.18156 2.19756 2.20645 2.21934 2.22852 2.23082 2.23788 2.25097 2.27128 2.28663 2.30331 2.31949 2.32365 2.32841 2.33951 2.34395 2.35071 2.35809 2.37647 2.39179 2.40638 2.41582 2.42920 2.44928 2.45307 2.45687 2.47705 2.48260 2.48860 2.50320 2.51383 2.52891 2.53075 2.54589 2.56339 2.56579 2.57559 2.58467 2.60790 2.61840 2.62667 2.63513 2.64063 2.65264 2.65838 2.66020 2.67820 2.69162 2.69502 2.70583 2.72473 2.72644 2.73001 2.74121 2.75043 2.75414 2.75879 2.76587 2.77559 2.77926 2.78348 2.79153 2.79875 2.80400 2.81377 2.82194 2.82760 2.83136 2.84111 2.84533 2.84858 2.85843 2.86804 2.86921 2.88839 2.89842 2.90674 2.90796 2.91982 2.92903 2.93930 2.94367 2.95149 2.96724 2.98003 2.98558 2.99739 3.00158 3.01795 3.03725 3.05072 3.06103 3.07316 3.08440 3.09869 3.10441 3.10757 3.11492 3.12344 3.14964 3.15414 3.15791 3.17571 3.18057 3.19316 3.20464 3.21375 3.22276 3.24318 3.26737 3.27539 3.31842 3.34435 3.36033 3.36746 3.39006 3.39443 3.40456 3.42254 3.45453 3.46334 3.52575 3.55645 3.56322 3.57954 3.59587 3.63941 3.64629 3.65964 3.69336 3.70290 3.72207 3.77938 3.78281 3.78992 3.80881 3.83062 3.84099 3.85551 3.88805 3.90557 3.96784 3.97093 3.97977 3.99968 4.01463 4.03831 4.07260 4.08822 4.10565 4.13001 4.16196 4.16607 4.18160 4.18272 4.22989 4.25659 4.31228 4.32882 4.53800 4.56021 4.62939 4.84490 4.85374 4.87223 5.11939 5.13836 5.15715 5.24707 5.42086 5.43633 5.65346 5.88052 5.89304 6.34169 6.46246 6.74975 9.79410 9.83503 23.53108 23.55541 23.62264 23.77335 23.79770 23.87019 23.88707 23.91732 23.95440 23.95834 23.96699 23.98351 23.99461 24.01143 24.04054 24.07863 24.08583 24.10052 24.16948 24.18556 24.19796 24.35442 25.94453 25.98660 26.10307 26.15165 26.61337 26.69217 35.87760 49.92703 49.98694 50.02364 66.80816 215.79152 215.83900 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 Cl Cl F O O O 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 0.106270 0.153183 -0.183445 0.141859 -0.250552 -0.026598 -0.315997 0.524575 0.426116 -0.218863 -0.532487 -0.500747 -1.698554 -0.455469 0.543121 0.523482 0.869699 -0.475628 0.408330 -0.430151 -0.807345 0.008912 -0.131265 -0.572911 0.193162 -0.381527 0.228615 -0.060541 -0.278198 0.198026 0.203753 0.164866 0.164654 0.159031 0.171363 0.169871 0.151420 0.196496 0.243038 0.196929 0.166849 0.180006 0.179698 0.160434 0.158040 0.162532 0.165950 -0.00000 -3.5016 3.1993 -3.6563 5.9888 -178.5718 -184.2672 -199.9976 0.2863 -1.3405 -12.7948 9.0404 3.3450 -12.3854 0.2863 -1.3405 -12.7948 31.4099 2.1766 -51.8823 -67.5792 84.2042 -66.8815 -50.0045 -73.9235 -3.9471 -32.5226 -8188.3663 -6652.5935 -1739.0196 153.5654 -148.4203 19.5587 -273.8808 -136.9842 -183.6777 -2512.7551 -1701.5032 -1584.7974 -127.7434 -57.1111 -168.7316 (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A) (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(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-DEPAZ14 APULGAR 2024-10-03T00:00:00.000 0 Wavefunction Cyfluthrin_beta CONF27 octanol 0 1 Version=EM64L-G16RevC.01 State=1-A HF=-2150.2352667 RMSD=4.141e-09 Dipole=-1.1681184,1.4807212,-1.4122464 Quadrupole=6.4844789,2.4569876,-8.9414666,-0.8433932,-3.1655145,-9.2117275 PG=C01 [X(C22H18Cl2F1N1O3)] 0 -2.7307028289 -0.6087146641 1.8259627695 0 -4.7834377896 -1.0834023052 -0.2125649664 0 4.2203757115 -2.9992255204 -1.0226286873 0 0.9365904535 2.21759674 0.236314872 0 1.2481370188 2.4942424754 -1.9793688493 0 1.953428352 -2.8055015523 0.4204715069 0 2.8173923892 2.6528866742 2.935636799 0 -1.8996457023 3.3068532632 -0.3263856026 0 -1.8796107024 1.8197712342 -0.0444741941 0 -0.9786994824 2.3958101075 -1.1457862935 0 -1.3279452672 4.2301834275 0.7324965295 0 -3.0587687079 3.9227510104 -1.0883034849 0 -2.9854551825 0.9253785653 -0.4187415601 0 0.4919198093 2.3823417376 -1.0365653277 0 -3.4202952687 -0.1081734356 0.2999721147 0 2.3674225668 2.119056118 0.4104111399 0 2.882478114 0.7405000526 0.0361287182 0 2.6012978444 2.4229456646 1.8279069962 0 2.1563292211 -0.3872641102 0.4160217917 0 4.0666518843 0.6105832288 -0.6880136679 0 2.5998247714 -1.6521282788 0.0483438418 0 4.5311742896 -0.6554556449 -1.0358940729 0 3.7898226952 -1.7645026634 -0.6699190977 0 0.5992541142 -2.9651611548 0.1409879034 0 -0.0387786585 -2.31692568 -0.9149735537 0 -0.0820422926 -3.8734749488 0.9474964903 0 -1.3857919 -2.5884848742 -1.1559056486 0 -1.4234592711 -4.1412492013 0.6867271696 0 -2.0806176251 -3.5010435953 -0.3642440896 0 -1.3482257198 1.5499563001 0.8587250827 0 -1.2943852048 2.2361799393 -2.1693860567 0 -0.9109592064 5.1296973579 0.2680053341 0 -2.1295724488 4.5427567528 1.4087964863 0 -0.548106773 3.7577853368 1.3281975133 0 -3.8967593051 4.1083403576 -0.408832822 0 -2.7521139147 4.8823532227 -1.5152842546 0 -3.4157607333 3.2943385615 -1.905620386 0 -3.5050607693 1.1179873469 -1.350365042 0 2.8695290073 2.8839298166 -0.1870077743 0 1.2348783604 -0.2950475715 0.9780073767 0 4.6220648864 1.4905018314 -0.9900182119 0 5.4446640443 -0.790607839 -1.6018629202 0 0.501125874 -1.6169714613 -1.540296284 0 0.4451298933 -4.3592365677 1.7603061107 0 -1.8887674572 -2.0819352086 -1.971866556 0 -1.9568052796 -4.8474744112 1.3133835219 0 -3.1270410805 -3.7028704292 -0.5563302054 Gaussian 16 3-Oct-2024 Gaussian 16 3-Jul-2019 EM64L-G16RevC.01 135 C1[X(C22H18Cl2FNO3)] RB3LYP TD-FC 6-311+G(d,p) SP #P B3LYP 6-311+G(d,p) EmpiricalDispersion=gd3 scrf=(smd,Solvent=n-Octanol) geom=check guess=read td=(singlets,nstates=10) 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 416.1447031999997 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;2;3;7;4;5;6;30;31;32;33;34;35;36;37;38;39;40;41;42;43;44;45;46;47/rA:47nCl0Cl0F0O0O0O0N0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:-2.7307,-.6087,1.826;-4.7834,-1.0834,-.2126;4.2204,-2.9992,-1.0226;.9366,2.2176,.2363;1.2481,2.4942,-1.9794;1.9534,-2.8055,.4205;2.8174,2.6529,2.9356;-1.8996,3.3069,-.3264;-1.8796,1.8198,-.0445;-.9787,2.3958,-1.1458;-1.3279,4.2302,.7325;-3.0588,3.9228,-1.0883;-2.9855,.9254,-.4187;.4919,2.3823,-1.0366;-3.4203,-.1082,.3;2.3674,2.1191,.4104;2.8825,.7405,.0361;2.6013,2.4229,1.8279;2.1563,-.3873,.416;4.0667,.6106,-.688;2.5998,-1.6521,.0483;4.5312,-.6555,-1.0359;3.7898,-1.7645,-.6699;.5993,-2.9652,.141;-.0388,-2.3169,-.915;-.082,-3.8735,.9475;-1.3858,-2.5885,-1.1559;-1.4235,-4.1412,.6867;-2.0806,-3.501,-.3642;-1.3482,1.55,.8587;-1.2944,2.2362,-2.1694;-.911,5.1297,.268;-2.1296,4.5428,1.4088;-.5481,3.7578,1.3282;-3.8968,4.1083,-.4088;-2.7521,4.8824,-1.5153;-3.4158,3.2943,-1.9056;-3.5051,1.118,-1.3504;2.8695,2.8839,-.187;1.2349,-.295,.978;4.6221,1.4905,-.99;5.4447,-.7906,-1.6019;.5011,-1.617,-1.5403;.4451,-4.3592,1.7603;-1.8888,-2.0819,-1.9719;-1.9568,-4.8475,1.3134;-3.127,-3.7029,-.5563; oldchk=/home/proyectos/herbicida/NuevosCalculos/Insecticides_unique/G3_insectic #P B3LYP 6-311+G(d,p) EmpiricalDispersion=gd3 scrf=(smd,Solvent=n-Octa 1/29=2,38=1,172=1/1 2/12=2,40=1/2 3/5=4,6=6,7=111,11=9,14=-4,25=1,30=1,70=32201,72=25,74=-5,116=-2,124=31/1,2,3,8 4/5=1/1 5/5=2,38=6,53=25/2 8/6=1,10=2,108=10/1 9/41=10,42=1,48=1,70=2/14 6/7=2,8=2,9=2,10=2/1 99/5=1,9=1/99 Electronic spectrum Cyfluthrin_beta CONF27 octanol Redundant internal coordinates found in file. (old form). 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 35 35 19 16 16 16 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 34.9688527 34.9688527 18.9984033 15.9949146 15.9949146 15.9949146 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 3 3 1 0 0 0 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 14.2400000 14.2400000 6.7500000 5.6000000 5.6000000 5.6000000 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 (Enter /usr/local/gaussian/gaussian16/g16/l101.exe) 6-311+G(d,p) (5D, 7F) 0.10000e-02 0.10000e-05 F 791 A 762 A 762 1222 791 112 112 3102.3487744702 47 47 47 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 -0.0595549824 PCM SMD-Coulomb. Total charges None On-the-fly selection n-Octanol 9.862900 2.043470 0.000000 2.931662 0.000000 7.883306 9.240954 0.000000 4.895310 6.619427 6.291536 0.000000 6.319815 7.231945 6.318840 2.254517 0.000000 5.361190 6.982244 2.694275 5.128293 5.860372 0.000000 6.530756 9.035688 7.041491 3.318619 5.161881 6.071778 0.000000 4.544770 5.253909 8.815103 3.089878 3.647085 7.263942 5.772254 0.000000 3.181263 4.109609 7.835136 2.857988 3.739189 6.025074 5.624676 1.513700 0.000000 4.574711 5.239452 7.493461 2.368607 2.379779 6.172858 5.579822 1.532827 1.535041 0.000000 5.155418 6.408413 9.280554 3.069988 4.123579 7.769533 4.952324 1.516777 2.591931 2.648555 0.000000 5.397662 5.366840 10.045099 4.541482 4.624291 8.524547 7.234219 1.517701 2.627264 2.580996 2.530924 0.000000 2.730758 2.703785 8.227466 4.181073 4.777049 6.246304 6.921646 2.618957 1.470682 2.591878 3.872263 3.072121 0.000000 5.246502 6.365513 6.546972 1.358343 1.213781 5.583250 4.610792 2.660576 2.631518 1.474731 3.139428 3.870779 3.820548 0.000000 1.747778 1.752690 8.275706 4.939202 5.810527 6.013901 7.312929 3.790397 2.491851 3.784381 4.835943 4.278594 1.331865 4.826430 0.000000 5.952764 7.859939 5.628841 1.444749 2.665448 4.941939 2.619964 4.490167 4.281797 3.700659 4.268061 5.911262 5.546680 2.383395 6.202453 0.000000 6.044145 7.883827 4.110533 2.451197 3.131919 3.685781 3.473990 5.439328 4.883525 4.364134 5.512756 6.832970 5.888440 3.092101 6.365125 1.518482 0.000000 6.133612 8.425694 6.336159 2.312268 4.041222 5.453189 1.151796 5.067619 4.893687 4.654027 4.461500 6.541411 6.204994 3.557573 6.708259 1.468449 2.473895 0.000000 5.091174 7.002863 3.626616 2.881902 3.855618 2.426739 4.003496 5.536118 4.622972 4.473606 5.793198 6.930835 5.371946 3.542737 5.584810 2.515200 1.394081 3.176271 0.000000 7.349204 9.023288 3.628542 3.637879 3.627643 4.167024 4.343097 6.557237 6.101993 5.371421 6.649890 7.867802 7.064263 4.004913 7.585981 2.523769 1.394105 3.429545 2.421555 0.000000 5.715170 7.409729 2.363861 4.216213 4.809477 1.373527 5.188155 6.706501 5.668161 5.533316 7.106126 8.024396 6.169041 4.679449 6.220045 3.795647 2.409297 4.446693 1.389877 2.795294 0.000000 7.805592 9.360716 2.364324 4.774304 4.646405 3.659026 5.445662 7.586748 6.943186 6.299286 7.831089 8.863970 7.705818 5.054086 8.081456 3.804147 2.411664 4.626266 2.796404 1.392715 2.428794 0.000000 7.076901 8.612425 1.354371 4.981898 5.129497 2.375916 5.784374 7.629333 6.736518 6.346137 8.005909 8.911964 7.294035 5.311018 7.461228 4.274619 2.756232 5.018610 2.396738 2.391233 1.394498 1.383302 0.000000 4.413683 5.713089 3.803641 5.194599 5.892542 1.391902 6.655273 6.767651 5.392100 5.734609 7.472414 7.895291 5.319750 5.476672 4.934008 5.389645 4.353853 5.990457 3.024182 5.049360 2.394770 4.709542 3.504123 0.000000 4.204423 4.952449 4.314802 4.778986 5.092782 2.447654 6.905356 5.952827 4.610715 4.811092 6.873190 6.934259 4.409273 4.730702 4.217740 5.217699 4.334304 6.079455 3.211486 5.047413 2.886549 4.864111 3.876005 1.393682 0.000000 4.294853 5.588682 4.812121 6.216474 7.133284 2.358275 7.413017 7.515555 6.052133 6.670065 8.201694 8.589908 5.772816 6.587957 5.073531 6.496058 5.559473 6.900750 4.176893 6.324028 3.596563 5.964164 4.696290 1.392715 2.427656 0.000000 3.823587 3.833949 5.622774 5.516354 5.783579 3.698980 7.866349 5.975547 4.572949 5.000902 7.075567 6.723066 3.930594 5.314994 3.522886 6.221005 5.542672 7.065017 4.456787 6.338935 4.267566 6.225873 5.263280 2.400880 1.395076 2.788416 0.000000 3.935168 4.631264 6.006579 6.797619 7.633822 3.641220 8.318816 7.531758 6.022997 6.803606 8.372103 8.417427 5.415959 7.013961 4.516927 7.323835 6.541854 7.783933 5.194283 7.389935 4.773895 7.111669 5.887930 2.402579 2.794806 1.392517 2.409936 0.000000 3.685808 3.629495 6.355140 6.493617 7.045047 4.168103 8.529395 6.810407 5.334204 6.049621 7.844822 7.522883 4.518287 6.456329 3.707760 7.209069 6.540895 7.862538 5.315652 7.402650 5.049283 7.229404 6.129525 2.779234 2.423746 2.419436 1.393655 1.395085 0.000000 2.739827 4.459027 7.432622 2.460391 3.960752 5.482974 4.783554 2.189803 1.082099 2.206827 2.683275 3.513834 2.168534 2.769680 2.712023 3.785618 4.385287 4.159346 4.028736 5.709266 5.147540 6.559022 6.302534 4.969317 4.451228 5.569983 4.602917 5.694301 5.248300 0.000000 5.110699 5.198294 7.690066 3.281005 2.562640 6.532550 6.568228 2.215701 2.243019 1.083003 3.521093 2.669515 2.764539 2.120267 4.014127 4.480838 4.954548 5.584763 5.047199 5.794631 5.933139 6.601780 6.641011 5.998137 4.886806 6.965100 4.930810 6.988966 6.065677 3.105360 0.000000 6.218366 7.336869 9.699264 3.448880 4.081423 8.437733 5.210706 2.157212 3.462880 3.078561 1.094877 2.812362 4.738296 3.349319 5.808019 4.453316 5.805944 4.700611 6.314034 6.790654 7.639831 8.048911 8.396847 8.235509 7.590279 9.066748 7.862781 9.294538 8.732556 3.654408 3.802675 0.000000 5.203176 6.428490 10.154564 4.022740 5.204325 8.464312 5.511380 2.142704 3.096632 3.529842 1.094390 2.735566 4.142204 4.185619 4.952435 5.205196 6.439101 5.200999 6.607546 7.632287 7.911677 8.795651 8.896169 8.088428 7.538340 8.673992 7.614822 8.742536 8.237038 3.141645 4.338344 1.769441 0.000000 4.906915 6.614308 8.597791 2.401815 3.970268 7.082258 3.889890 2.183493 2.722688 2.856743 1.089113 3.488569 4.124923 2.926705 4.924668 3.468152 4.747880 3.456914 5.032641 5.938517 6.388636 7.131951 7.301080 6.922710 6.495640 7.654952 6.866413 7.973235 7.609438 2.394808 3.886554 1.771387 1.767402 0.000000 5.348328 5.270570 10.806578 5.229952 5.616213 9.094705 7.640920 2.153518 3.072327 3.462793 2.813589 1.094693 3.310864 4.757481 4.302140 6.623321 7.582770 7.075896 7.584901 8.702193 8.694689 9.701393 9.676879 8.399456 7.511607 8.949920 7.191004 8.681774 7.823240 3.827147 3.657442 3.227427 2.572050 3.788619 0.000000 6.427769 6.435339 10.534591 4.876020 4.681929 9.219132 7.469981 2.149973 3.507699 3.076430 2.739726 1.094160 4.112724 4.123467 5.352287 6.128113 7.163132 6.773820 7.455979 8.088755 8.589973 9.162065 9.364415 8.692433 7.717006 9.479404 7.603250 9.382941 8.488648 4.325701 3.091125 2.575102 3.008842 3.769309 1.770182 0.000000 5.443146 4.888925 9.934747 4.968925 4.732603 8.452629 7.918423 2.189234 2.828068 2.706283 3.492054 1.091033 2.829831 4.105723 4.054842 6.339598 7.068260 7.134672 7.070531 8.041866 8.029494 8.916898 8.890403 7.712995 6.623570 8.404255 6.268210 8.122653 7.094763 3.867709 2.385269 3.790412 3.768048 4.346930 1.770404 1.764817 0.000000 3.697322 2.788360 8.760207 4.843032 4.988248 6.951599 7.790965 2.901211 2.199986 2.838518 4.331733 2.852114 1.083979 4.203917 2.057734 6.211967 6.547176 7.006564 6.118598 7.617546 6.848325 8.235597 7.873187 5.978431 4.899317 6.473942 4.273997 6.011853 4.933246 3.117469 2.609260 5.044036 4.608035 4.784016 3.159450 3.842470 2.247841 0.000000 6.900233 8.620225 6.093814 2.087930 2.448127 5.794644 3.131614 4.789918 4.868991 3.995795 4.502963 6.085737 6.178225 2.574173 6.982243 1.092727 2.155052 2.084307 3.401912 2.617674 4.550160 4.001115 4.763199 6.282801 6.003090 7.460656 6.999560 8.279269 8.081043 4.545602 4.656993 4.420701 5.503573 3.839232 6.879756 6.112355 6.528930 6.716200 0.000000 4.067339 6.185394 4.497590 2.636753 4.065266 2.670120 3.876465 4.949785 3.901022 4.080581 5.206348 6.363558 4.609942 3.432041 4.708003 2.726301 2.161962 3.158626 1.083237 3.408040 2.137527 3.879595 3.376788 2.869517 3.048536 3.813182 4.084281 4.684535 4.803391 3.176585 4.765540 5.876783 5.908423 4.441523 6.902670 6.994147 6.544268 5.466718 3.759686 0.000000 8.148598 9.782275 4.507779 3.951618 3.656460 5.250404 4.474232 6.802371 6.578317 5.675598 6.773148 8.057338 7.649842 4.225594 8.300566 2.727580 2.154447 3.590773 3.403352 1.083488 3.878631 2.148371 3.374929 6.108610 6.018771 7.392891 7.263608 8.430685 8.380517 6.250261 6.078760 6.740973 7.788143 6.102899 8.930914 8.133823 8.288474 8.143635 2.378623 4.305153 0.000000 8.866775 10.326178 2.590827 5.722842 5.342620 4.509807 6.272887 8.506169 7.929977 7.184766 8.747904 9.735906 8.683968 5.909048 9.092315 4.688796 3.404718 5.493176 3.879135 2.167343 3.399781 1.083075 2.134359 5.589652 5.733202 6.822594 7.077172 7.977190 8.093703 7.594477 7.409339 8.884839 9.740529 8.073812 10.615329 9.968809 9.761464 9.154428 4.704823 4.962218 2.500897 0.000000 4.774201 5.474868 4.001428 4.248516 4.201534 2.714111 6.605358 5.610823 4.440337 4.295106 6.534547 6.600430 4.458439 4.030922 4.587004 4.609363 3.703191 5.663607 2.842369 4.289681 2.632404 4.173754 3.405121 2.157304 1.082803 3.408960 2.156862 3.877582 3.405617 4.382332 4.297254 7.126112 7.318468 6.182003 7.307585 7.268110 6.292569 4.854442 5.262968 2.937300 5.190504 5.012508 0.000000 4.914940 6.477749 4.883322 6.768960 7.848577 2.546412 7.495259 8.283791 6.844106 7.490215 8.830534 9.433091 6.666657 7.298874 5.928375 6.890987 5.909380 7.116996 4.529003 6.618822 3.860306 6.183242 4.881148 2.142287 3.400342 1.083759 3.871967 2.166037 3.410221 6.240796 7.871970 9.700815 9.273518 8.188973 9.759971 10.313042 9.323235 7.435070 7.882462 4.213470 7.696136 7.002473 4.291518 0.000000 4.159656 3.531477 6.250128 5.598633 5.548119 4.583590 8.285534 5.634427 4.351809 4.643365 6.889916 6.181088 3.557929 5.145117 3.376768 6.437292 5.896013 7.408975 4.993669 6.660702 4.940996 6.642781 5.834571 3.381493 2.143526 3.872538 1.084144 3.394909 2.152934 4.636278 4.363304 7.614511 7.441331 6.840331 6.692878 7.032435 5.589313 3.638430 7.105415 4.653159 7.491146 7.455444 2.472657 4.956036 0.000000 4.339210 4.948395 6.857882 7.710191 8.661102 4.500763 9.037704 8.317762 6.804550 7.711639 9.117937 9.159655 6.114263 7.986786 5.062586 8.249052 7.501700 8.596514 6.133238 8.371262 5.707315 8.073785 6.816299 3.383941 3.879185 2.144128 3.395067 1.084394 2.154679 6.442376 7.921278 10.086157 9.392305 8.719813 9.323951 10.163829 8.875790 6.714118 9.236844 5.569911 9.421101 8.929646 4.961962 2.491467 4.294846 0.000000 3.925074 3.118243 7.395748 7.224494 7.718253 5.250770 9.376874 7.120084 5.684861 6.492822 8.235968 7.644459 4.632458 7.096289 3.706899 8.063408 7.497257 8.719179 6.312901 8.388828 6.112951 8.256209 7.184231 3.862091 3.403944 3.400385 2.152509 2.153963 1.082882 5.723526 6.421285 9.143566 8.535047 8.115647 7.850429 8.646747 7.131962 4.900414 8.915222 5.744022 9.338514 9.113097 4.299158 4.307903 2.482840 2.485035 0.000000 C22H18Cl2FNO3 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 0 416.1447031999997 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;2;3;7;4;5;6;30;31;32;33;34;35;36;37;38;39;40;41;42;43;44;45;46;47/rA:47nCl0Cl0F0O0O0O0N0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:-2.5561,-1.1044,1.7353;-4.4304,-1.9226,-.3652;4.7908,-2.1641,-.9193;.5798,2.3568,.2688;.8979,2.7084,-1.9353;2.4868,-2.4,.4573;2.2737,3.0982,3.0246;-2.3903,2.9191,-.3717;-2.1083,1.4575,-.0968;-1.2965,2.1988,-1.1682;-2.0258,3.9198,.7083;-3.6202,3.3222,-1.1643;-3.0223,.3812,-.5081;.1484,2.4513,-1.0157;-3.2821,-.7215,.1922;1.9992,2.5178,.4845;2.7665,1.2596,.1186;2.1341,2.8444,1.9098;2.247,.0149,.4711;3.9744,1.3542,-.571;2.923,-1.1446,.1103;4.6708,.1972,-.9115;4.1333,-1.0317,-.5732;1.1925,-2.7998,.1372;.4772,-2.2672,-.9338;.6653,-3.825,.9187;-.7907,-2.7762,-1.2157;-.5973,-4.329,.6171;-1.3301,-3.8079,-.4495;-1.5623,1.2792,.8202;-1.5491,1.9952,-2.2014;-1.7663,4.8848,.2609;-2.8895,4.0747,1.3623;-1.1901,3.5906,1.3243;-4.4967,3.3456,-.5088;-3.4811,4.3259,-1.5771;-3.834,2.648,-1.9949;-3.5419,.4859,-1.4536;2.3705,3.3672,-.094;1.3087,-.0675,1.0062;4.3689,2.3234,-.8521;5.6091,.2359,-1.451;.8983,-1.4745,-1.5393;1.2489,-4.2154,1.7442;-1.3543,-2.3609,-2.0435;-1.0108,-5.1268,1.2242;-2.3166,-4.1942,-.6733; 0.1660170 0.1305795 0.0860655 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= 762 RedAO= T EigKep= 1.26D-06 NBF= 762 NBsUse= 760 1.00D-06 EigRej= 9.59D-07 NBFU= 760 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= 776 776 776 776 776 MxSgAt= 47 MxSgA2= 47. 1 Closed 1 1 1 -2150.23526669729 -2150.23526670 1 2.143025651814e+03 -1.125972454802e+04 3.864172841718e+03 Using DIIS extrapolation, IDIIS= 1040. NGot= 2831155200 LenX= 2829882710 LenY= 2829256238 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 4.5086 275.00 0.0167 0.000 112 113 0.67940 112 115 -0.10130 -2150.06957942 2 Singlet-A 4.8357 256.40 0.0750 0.000 112 114 0.49919 112 115 0.46858 3 Singlet-A 4.8923 253.43 0.0457 0.000 112 114 -0.46574 112 115 0.48754 4 Singlet-A 4.9480 250.58 0.0243 0.000 111 113 0.62214 111 114 -0.23935 111 116 0.12389 112 114 -0.12603 5 Singlet-A 5.0629 244.89 0.1433 0.000 111 113 0.29007 111 114 0.55301 111 115 -0.13169 111 118 -0.12839 112 116 0.13749 6 Singlet-A 5.0705 244.52 0.0183 0.000 109 113 0.14108 109 115 -0.10283 110 115 -0.10226 110 118 0.11162 110 119 -0.16285 111 114 -0.15349 112 116 0.50390 112 117 0.24822 112 118 -0.10700 7 Singlet-A 5.1831 239.21 0.0102 0.000 109 113 -0.15630 111 116 0.44690 111 117 -0.37857 112 117 0.24292 8 Singlet-A 5.2191 237.56 0.0658 0.000 108 113 -0.20651 108 115 -0.18664 109 113 0.49201 109 115 -0.16675 110 115 0.13935 111 114 0.10350 111 116 0.13064 111 117 -0.14992 112 113 0.11856 112 116 -0.13326 9 Singlet-A 5.2984 234.00 0.0023 0.000 111 114 0.13109 111 115 0.63753 112 116 0.20649 112 117 -0.13797 10 Singlet-A 5.3361 232.35 0.0014 0.000 111 115 0.20062 111 116 -0.18798 111 117 0.12369 112 116 -0.32017 112 117 0.52545 PT71219.600S Thu Oct 3 10:45:57 2024 -101.57182 -101.57127 -24.70524 -19.19401 -19.17891 -19.13284 -14.33715 -10.32609 -10.29477 -10.28883 -10.27472 -10.25779 -10.24559 -10.23620 -10.21197 -10.21084 -10.20335 -10.20263 -10.20225 -10.19711 -10.19572 -10.19509 -10.17988 -10.17918 -10.17907 -10.17699 -10.17181 -10.16397 -10.16125 -9.48644 -9.48580 -7.25126 -7.25066 -7.24107 -7.24085 -7.24040 -7.24022 -1.24351 -1.13517 -1.09673 -1.04647 -0.93745 -0.92395 -0.89820 -0.88984 -0.86279 -0.84319 -0.82163 -0.78301 -0.77517 -0.76028 -0.75584 -0.74273 -0.73265 -0.69606 -0.67414 -0.66057 -0.64132 -0.61885 -0.60652 -0.60372 -0.58608 -0.56779 -0.56490 -0.55416 -0.54576 -0.52619 -0.51236 -0.50920 -0.50014 -0.49348 -0.49189 -0.48812 -0.47595 -0.47108 -0.46422 -0.45704 -0.44797 -0.44214 -0.44047 -0.43390 -0.43079 -0.42501 -0.41857 -0.41211 -0.41104 -0.40463 -0.40295 -0.39799 -0.39013 -0.38731 -0.38215 -0.37767 -0.37570 -0.36908 -0.36743 -0.36189 -0.35262 -0.35090 -0.34575 -0.34320 -0.33771 -0.33501 -0.33251 -0.32200 -0.30979 -0.29271 -0.27661 -0.26487 -0.26359 -0.24619 -0.23596 -0.04502 -0.03663 -0.03374 -0.02148 -0.01734 -0.01221 -0.00654 -0.00301 0.00227 0.00860 0.01176 0.01489 0.01638 0.01872 0.02515 0.02971 0.03081 0.03421 0.04000 0.04127 0.04718 0.04855 0.05278 0.05523 0.05965 0.06421 0.06505 0.06839 0.07107 0.07651 0.07832 0.08363 0.08435 0.08856 0.09296 0.09456 0.09532 0.09752 0.09923 0.10476 0.10546 0.10960 0.11274 0.11507 0.11764 0.11885 0.12290 0.12564 0.12655 0.12984 0.13319 0.13490 0.13753 0.14016 0.14247 0.14387 0.14773 0.14994 0.15242 0.15477 0.15576 0.15711 0.15935 0.16434 0.16668 0.16862 0.17222 0.17515 0.17601 0.18053 0.18217 0.18527 0.18817 0.19104 0.19239 0.19442 0.19655 0.19842 0.20104 0.20549 0.20702 0.20885 0.20996 0.21204 0.21298 0.21513 0.21819 0.22014 0.22222 0.22376 0.22563 0.22734 0.22983 0.23277 0.23472 0.23551 0.23814 0.24069 0.24311 0.24467 0.24629 0.24660 0.24885 0.25254 0.25428 0.25529 0.26224 0.26417 0.26506 0.26618 0.26714 0.27071 0.27226 0.27557 0.27605 0.27845 0.28293 0.28358 0.28685 0.28872 0.29164 0.29369 0.29500 0.29830 0.30339 0.30915 0.31177 0.31279 0.31770 0.31787 0.32393 0.32518 0.32884 0.32960 0.33287 0.33359 0.34157 0.34622 0.34954 0.35240 0.35291 0.35715 0.35884 0.36102 0.36345 0.36483 0.37122 0.37235 0.37559 0.38170 0.38752 0.38936 0.39386 0.39471 0.40440 0.40761 0.41161 0.41692 0.42320 0.42848 0.43571 0.44237 0.44480 0.44935 0.46139 0.46442 0.47129 0.47589 0.48401 0.48793 0.49377 0.49541 0.50293 0.50721 0.51637 0.51899 0.52238 0.52978 0.53122 0.54071 0.54629 0.54934 0.55570 0.56437 0.56792 0.57005 0.57897 0.58144 0.58473 0.58813 0.59383 0.59538 0.59712 0.60201 0.60653 0.61435 0.61717 0.61988 0.63241 0.63530 0.63859 0.64453 0.64949 0.65063 0.65404 0.66072 0.66264 0.66740 0.67287 0.67726 0.67827 0.68169 0.69150 0.69218 0.69423 0.70206 0.70419 0.70860 0.70918 0.71357 0.71571 0.71817 0.72036 0.72564 0.72827 0.72905 0.73301 0.73799 0.74730 0.75269 0.75451 0.75776 0.76533 0.76838 0.77140 0.77657 0.78184 0.78229 0.78539 0.79423 0.79580 0.80611 0.81063 0.81369 0.81451 0.81893 0.82411 0.83012 0.83110 0.83860 0.84751 0.84846 0.84977 0.85334 0.85649 0.86511 0.87518 0.88688 0.88798 0.89051 0.89628 0.90647 0.91026 0.92077 0.92340 0.93131 0.93310 0.94037 0.94750 0.94879 0.95119 0.95902 0.96617 0.97165 0.97250 0.98491 0.98881 0.99371 1.00553 1.00877 1.01086 1.01787 1.02055 1.02399 1.03215 1.03840 1.04355 1.05264 1.05750 1.06290 1.07323 1.07597 1.08475 1.08755 1.09160 1.10394 1.10678 1.10744 1.12122 1.12866 1.13210 1.14550 1.14876 1.15579 1.16316 1.18010 1.18629 1.19840 1.20057 1.20974 1.22758 1.24107 1.24808 1.25037 1.26734 1.27785 1.28347 1.30471 1.30878 1.32221 1.32484 1.33410 1.34566 1.35610 1.36547 1.37119 1.38063 1.39215 1.39304 1.40451 1.41907 1.43414 1.44625 1.45292 1.45873 1.46518 1.47469 1.47678 1.48506 1.48994 1.50457 1.50789 1.51246 1.51333 1.51609 1.52799 1.53141 1.54123 1.54966 1.55629 1.57112 1.57130 1.57720 1.58161 1.58355 1.58807 1.59366 1.60356 1.61244 1.61421 1.62036 1.62638 1.63213 1.64265 1.64590 1.65210 1.66569 1.66799 1.67209 1.67904 1.68760 1.69588 1.70590 1.70882 1.71532 1.72022 1.73081 1.73575 1.73633 1.74448 1.75552 1.75750 1.76800 1.77685 1.78977 1.79947 1.80120 1.81084 1.81814 1.82738 1.83028 1.83563 1.84725 1.85137 1.85852 1.86779 1.87925 1.89480 1.90155 1.90849 1.92022 1.92784 1.93070 1.93626 1.93794 1.94176 1.95986 1.96472 1.97256 1.98024 1.98751 1.99099 2.00032 2.00492 2.01267 2.01883 2.02490 2.03488 2.04199 2.04461 2.05588 2.06097 2.06775 2.07830 2.08060 2.09183 2.09644 2.10449 2.11014 2.11462 2.13609 2.13872 2.15372 2.16751 2.18156 2.19756 2.20645 2.21934 2.22852 2.23082 2.23788 2.25097 2.27128 2.28663 2.30331 2.31949 2.32365 2.32841 2.33951 2.34395 2.35071 2.35809 2.37647 2.39179 2.40638 2.41582 2.42920 2.44928 2.45307 2.45687 2.47705 2.48260 2.48860 2.50320 2.51383 2.52891 2.53075 2.54589 2.56339 2.56579 2.57559 2.58467 2.60790 2.61840 2.62667 2.63513 2.64063 2.65264 2.65838 2.66020 2.67820 2.69162 2.69502 2.70583 2.72473 2.72644 2.73001 2.74121 2.75043 2.75414 2.75879 2.76587 2.77559 2.77926 2.78348 2.79153 2.79875 2.80400 2.81377 2.82194 2.82760 2.83136 2.84111 2.84533 2.84858 2.85843 2.86804 2.86921 2.88839 2.89842 2.90674 2.90796 2.91982 2.92903 2.93930 2.94367 2.95149 2.96724 2.98003 2.98558 2.99739 3.00158 3.01795 3.03725 3.05072 3.06103 3.07316 3.08440 3.09869 3.10441 3.10757 3.11492 3.12344 3.14964 3.15414 3.15791 3.17571 3.18057 3.19316 3.20464 3.21375 3.22276 3.24318 3.26737 3.27539 3.31842 3.34435 3.36033 3.36746 3.39006 3.39443 3.40456 3.42254 3.45453 3.46334 3.52575 3.55645 3.56322 3.57954 3.59587 3.63941 3.64629 3.65964 3.69336 3.70290 3.72207 3.77938 3.78281 3.78992 3.80881 3.83062 3.84099 3.85551 3.88805 3.90557 3.96784 3.97093 3.97977 3.99968 4.01463 4.03831 4.07260 4.08822 4.10565 4.13001 4.16196 4.16607 4.18160 4.18272 4.22989 4.25659 4.31228 4.32882 4.53800 4.56021 4.62939 4.84490 4.85374 4.87223 5.11939 5.13836 5.15715 5.24707 5.42086 5.43633 5.65346 5.88052 5.89304 6.34169 6.46246 6.74975 9.79410 9.83503 23.53108 23.55541 23.62264 23.77335 23.79770 23.87019 23.88707 23.91732 23.95440 23.95834 23.96699 23.98351 23.99461 24.01143 24.04054 24.07863 24.08583 24.10052 24.16948 24.18556 24.19796 24.35442 25.94453 25.98660 26.10307 26.15165 26.61337 26.69217 35.87760 49.92703 49.98694 50.02364 66.80816 215.79152 215.83900 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 Cl Cl F O O O 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 0.106270 0.153183 -0.183445 0.141859 -0.250552 -0.026598 -0.315997 0.524575 0.426116 -0.218863 -0.532487 -0.500747 -1.698554 -0.455469 0.543121 0.523482 0.869699 -0.475628 0.408330 -0.430151 -0.807345 0.008912 -0.131265 -0.572911 0.193162 -0.381527 0.228615 -0.060541 -0.278198 0.198026 0.203753 0.164866 0.164654 0.159031 0.171363 0.169871 0.151420 0.196496 0.243038 0.196929 0.166849 0.180006 0.179698 0.160434 0.158040 0.162532 0.165950 -0.00000 -3.5016 3.1993 -3.6563 5.9888 -178.5718 -184.2672 -199.9976 0.2863 -1.3405 -12.7948 9.0404 3.3450 -12.3854 0.2863 -1.3405 -12.7948 31.4099 2.1766 -51.8823 -67.5792 84.2042 -66.8815 -50.0045 -73.9235 -3.9471 -32.5226 -8188.3663 -6652.5935 -1739.0196 153.5654 -148.4203 19.5587 -273.8808 -136.9842 -183.6777 -2512.7551 -1701.5032 -1584.7974 -127.7434 -57.1111 -168.7316 (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A) (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(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-DEPAZ14 APULGAR 2024-10-03T00:00:00.000 0 Electronic spectrum Cyfluthrin_beta CONF27 octanol 0 1 Version=EM64L-G16RevC.01 State=1-A HF=-2150.2352667 RMSD=4.190e-09 PG=C01 [X(C22H18Cl2F1N1O3)] 0 -2.7307028289 -0.6087146641 1.8259627695 0 -4.7834377896 -1.0834023052 -0.2125649664 0 4.2203757115 -2.9992255204 -1.0226286873 0 0.9365904535 2.21759674 0.236314872 0 1.2481370188 2.4942424754 -1.9793688493 0 1.953428352 -2.8055015523 0.4204715069 0 2.8173923892 2.6528866742 2.935636799 0 -1.8996457023 3.3068532632 -0.3263856026 0 -1.8796107024 1.8197712342 -0.0444741941 0 -0.9786994824 2.3958101075 -1.1457862935 0 -1.3279452672 4.2301834275 0.7324965295 0 -3.0587687079 3.9227510104 -1.0883034849 0 -2.9854551825 0.9253785653 -0.4187415601 0 0.4919198093 2.3823417376 -1.0365653277 0 -3.4202952687 -0.1081734356 0.2999721147 0 2.3674225668 2.119056118 0.4104111399 0 2.882478114 0.7405000526 0.0361287182 0 2.6012978444 2.4229456646 1.8279069962 0 2.1563292211 -0.3872641102 0.4160217917 0 4.0666518843 0.6105832288 -0.6880136679 0 2.5998247714 -1.6521282788 0.0483438418 0 4.5311742896 -0.6554556449 -1.0358940729 0 3.7898226952 -1.7645026634 -0.6699190977 0 0.5992541142 -2.9651611548 0.1409879034 0 -0.0387786585 -2.31692568 -0.9149735537 0 -0.0820422926 -3.8734749488 0.9474964903 0 -1.3857919 -2.5884848742 -1.1559056486 0 -1.4234592711 -4.1412492013 0.6867271696 0 -2.0806176251 -3.5010435953 -0.3642440896 0 -1.3482257198 1.5499563001 0.8587250827 0 -1.2943852048 2.2361799393 -2.1693860567 0 -0.9109592064 5.1296973579 0.2680053341 0 -2.1295724488 4.5427567528 1.4087964863 0 -0.548106773 3.7577853368 1.3281975133 0 -3.8967593051 4.1083403576 -0.408832822 0 -2.7521139147 4.8823532227 -1.5152842546 0 -3.4157607333 3.2943385615 -1.905620386 0 -3.5050607693 1.1179873469 -1.350365042 0 2.8695290073 2.8839298166 -0.1870077743 0 1.2348783604 -0.2950475715 0.9780073767 0 4.6220648864 1.4905018314 -0.9900182119 0 5.4446640443 -0.790607839 -1.6018629202 0 0.501125874 -1.6169714613 -1.540296284 0 0.4451298933 -4.3592365677 1.7603061107 0 -1.8887674572 -2.0819352086 -1.971866556 0 -1.9568052796 -4.8474744112 1.3133835219 0 -3.1270410805 -3.7028704292 -0.5563302054 Gaussian 16 3-Oct-2024 Gaussian 16 3-Jul-2019 EM64L-G16RevC.01 135 C1[X(C22H18Cl2FNO3)] RB3LYP 6-311+G(3df,2p) SP #P B3LYP 6-311+G(3df,2p) EmpiricalDispersion=gd3 scrf=(smd,Solvent=n-Octanol) geom=check guess=read 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 416.1447031999997 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;2;3;7;4;5;6;30;31;32;33;34;35;36;37;38;39;40;41;42;43;44;45;46;47/rA:47nCl0Cl0F0O0O0O0N0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:-2.7307,-.6087,1.826;-4.7834,-1.0834,-.2126;4.2204,-2.9992,-1.0226;.9366,2.2176,.2363;1.2481,2.4942,-1.9794;1.9534,-2.8055,.4205;2.8174,2.6529,2.9356;-1.8996,3.3069,-.3264;-1.8796,1.8198,-.0445;-.9787,2.3958,-1.1458;-1.3279,4.2302,.7325;-3.0588,3.9228,-1.0883;-2.9855,.9254,-.4187;.4919,2.3823,-1.0366;-3.4203,-.1082,.3;2.3674,2.1191,.4104;2.8825,.7405,.0361;2.6013,2.4229,1.8279;2.1563,-.3873,.416;4.0667,.6106,-.688;2.5998,-1.6521,.0483;4.5312,-.6555,-1.0359;3.7898,-1.7645,-.6699;.5993,-2.9652,.141;-.0388,-2.3169,-.915;-.082,-3.8735,.9475;-1.3858,-2.5885,-1.1559;-1.4235,-4.1412,.6867;-2.0806,-3.501,-.3642;-1.3482,1.55,.8587;-1.2944,2.2362,-2.1694;-.911,5.1297,.268;-2.1296,4.5428,1.4088;-.5481,3.7578,1.3282;-3.8968,4.1083,-.4088;-2.7521,4.8824,-1.5153;-3.4158,3.2943,-1.9056;-3.5051,1.118,-1.3504;2.8695,2.8839,-.187;1.2349,-.295,.978;4.6221,1.4905,-.99;5.4447,-.7906,-1.6019;.5011,-1.617,-1.5403;.4451,-4.3592,1.7603;-1.8888,-2.0819,-1.9719;-1.9568,-4.8475,1.3134;-3.127,-3.7029,-.5563; oldchk=/home/proyectos/herbicida/NuevosCalculos/Insecticides_unique/G3_insectic #P B3LYP 6-311+G(3df,2p) EmpiricalDispersion=gd3 scrf=(smd,Solvent=n-O 1/29=2,38=1,172=1/1 2/12=2,40=1/2 3/5=4,6=6,7=216,11=2,14=-4,25=1,30=1,70=32201,72=25,74=-5,116=-2,124=31/1,2,3 4/5=1/1 5/5=2,38=6,53=25/2 6/7=2,8=2,9=2,10=2,28=1/1 99/5=1,9=1/99 Single Point Cyfluthrin_beta CONF27 octanol Redundant internal coordinates found in file. (old form). 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 35 35 19 16 16 16 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 34.9688527 34.9688527 18.9984033 15.9949146 15.9949146 15.9949146 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 3 3 1 0 0 0 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 14.2400000 14.2400000 6.7500000 5.6000000 5.6000000 5.6000000 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 (Enter /usr/local/gaussian/gaussian16/g16/l101.exe) 6-311+G(3df,2p) (5D, 7F) 0.10000e-02 0.10000e-05 F 1483 A 1309 A 1309 1914 1483 112 112 3102.3487744702 47 47 47 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 -0.0595549824 PCM SMD-Coulomb. Total charges None On-the-fly selection n-Octanol 9.862900 2.043470 0.000000 2.931662 0.000000 7.883306 9.240954 0.000000 4.895310 6.619427 6.291536 0.000000 6.319815 7.231945 6.318840 2.254517 0.000000 5.361190 6.982244 2.694275 5.128293 5.860372 0.000000 6.530756 9.035688 7.041491 3.318619 5.161881 6.071778 0.000000 4.544770 5.253909 8.815103 3.089878 3.647085 7.263942 5.772254 0.000000 3.181263 4.109609 7.835136 2.857988 3.739189 6.025074 5.624676 1.513700 0.000000 4.574711 5.239452 7.493461 2.368607 2.379779 6.172858 5.579822 1.532827 1.535041 0.000000 5.155418 6.408413 9.280554 3.069988 4.123579 7.769533 4.952324 1.516777 2.591931 2.648555 0.000000 5.397662 5.366840 10.045099 4.541482 4.624291 8.524547 7.234219 1.517701 2.627264 2.580996 2.530924 0.000000 2.730758 2.703785 8.227466 4.181073 4.777049 6.246304 6.921646 2.618957 1.470682 2.591878 3.872263 3.072121 0.000000 5.246502 6.365513 6.546972 1.358343 1.213781 5.583250 4.610792 2.660576 2.631518 1.474731 3.139428 3.870779 3.820548 0.000000 1.747778 1.752690 8.275706 4.939202 5.810527 6.013901 7.312929 3.790397 2.491851 3.784381 4.835943 4.278594 1.331865 4.826430 0.000000 5.952764 7.859939 5.628841 1.444749 2.665448 4.941939 2.619964 4.490167 4.281797 3.700659 4.268061 5.911262 5.546680 2.383395 6.202453 0.000000 6.044145 7.883827 4.110533 2.451197 3.131919 3.685781 3.473990 5.439328 4.883525 4.364134 5.512756 6.832970 5.888440 3.092101 6.365125 1.518482 0.000000 6.133612 8.425694 6.336159 2.312268 4.041222 5.453189 1.151796 5.067619 4.893687 4.654027 4.461500 6.541411 6.204994 3.557573 6.708259 1.468449 2.473895 0.000000 5.091174 7.002863 3.626616 2.881902 3.855618 2.426739 4.003496 5.536118 4.622972 4.473606 5.793198 6.930835 5.371946 3.542737 5.584810 2.515200 1.394081 3.176271 0.000000 7.349204 9.023288 3.628542 3.637879 3.627643 4.167024 4.343097 6.557237 6.101993 5.371421 6.649890 7.867802 7.064263 4.004913 7.585981 2.523769 1.394105 3.429545 2.421555 0.000000 5.715170 7.409729 2.363861 4.216213 4.809477 1.373527 5.188155 6.706501 5.668161 5.533316 7.106126 8.024396 6.169041 4.679449 6.220045 3.795647 2.409297 4.446693 1.389877 2.795294 0.000000 7.805592 9.360716 2.364324 4.774304 4.646405 3.659026 5.445662 7.586748 6.943186 6.299286 7.831089 8.863970 7.705818 5.054086 8.081456 3.804147 2.411664 4.626266 2.796404 1.392715 2.428794 0.000000 7.076901 8.612425 1.354371 4.981898 5.129497 2.375916 5.784374 7.629333 6.736518 6.346137 8.005909 8.911964 7.294035 5.311018 7.461228 4.274619 2.756232 5.018610 2.396738 2.391233 1.394498 1.383302 0.000000 4.413683 5.713089 3.803641 5.194599 5.892542 1.391902 6.655273 6.767651 5.392100 5.734609 7.472414 7.895291 5.319750 5.476672 4.934008 5.389645 4.353853 5.990457 3.024182 5.049360 2.394770 4.709542 3.504123 0.000000 4.204423 4.952449 4.314802 4.778986 5.092782 2.447654 6.905356 5.952827 4.610715 4.811092 6.873190 6.934259 4.409273 4.730702 4.217740 5.217699 4.334304 6.079455 3.211486 5.047413 2.886549 4.864111 3.876005 1.393682 0.000000 4.294853 5.588682 4.812121 6.216474 7.133284 2.358275 7.413017 7.515555 6.052133 6.670065 8.201694 8.589908 5.772816 6.587957 5.073531 6.496058 5.559473 6.900750 4.176893 6.324028 3.596563 5.964164 4.696290 1.392715 2.427656 0.000000 3.823587 3.833949 5.622774 5.516354 5.783579 3.698980 7.866349 5.975547 4.572949 5.000902 7.075567 6.723066 3.930594 5.314994 3.522886 6.221005 5.542672 7.065017 4.456787 6.338935 4.267566 6.225873 5.263280 2.400880 1.395076 2.788416 0.000000 3.935168 4.631264 6.006579 6.797619 7.633822 3.641220 8.318816 7.531758 6.022997 6.803606 8.372103 8.417427 5.415959 7.013961 4.516927 7.323835 6.541854 7.783933 5.194283 7.389935 4.773895 7.111669 5.887930 2.402579 2.794806 1.392517 2.409936 0.000000 3.685808 3.629495 6.355140 6.493617 7.045047 4.168103 8.529395 6.810407 5.334204 6.049621 7.844822 7.522883 4.518287 6.456329 3.707760 7.209069 6.540895 7.862538 5.315652 7.402650 5.049283 7.229404 6.129525 2.779234 2.423746 2.419436 1.393655 1.395085 0.000000 2.739827 4.459027 7.432622 2.460391 3.960752 5.482974 4.783554 2.189803 1.082099 2.206827 2.683275 3.513834 2.168534 2.769680 2.712023 3.785618 4.385287 4.159346 4.028736 5.709266 5.147540 6.559022 6.302534 4.969317 4.451228 5.569983 4.602917 5.694301 5.248300 0.000000 5.110699 5.198294 7.690066 3.281005 2.562640 6.532550 6.568228 2.215701 2.243019 1.083003 3.521093 2.669515 2.764539 2.120267 4.014127 4.480838 4.954548 5.584763 5.047199 5.794631 5.933139 6.601780 6.641011 5.998137 4.886806 6.965100 4.930810 6.988966 6.065677 3.105360 0.000000 6.218366 7.336869 9.699264 3.448880 4.081423 8.437733 5.210706 2.157212 3.462880 3.078561 1.094877 2.812362 4.738296 3.349319 5.808019 4.453316 5.805944 4.700611 6.314034 6.790654 7.639831 8.048911 8.396847 8.235509 7.590279 9.066748 7.862781 9.294538 8.732556 3.654408 3.802675 0.000000 5.203176 6.428490 10.154564 4.022740 5.204325 8.464312 5.511380 2.142704 3.096632 3.529842 1.094390 2.735566 4.142204 4.185619 4.952435 5.205196 6.439101 5.200999 6.607546 7.632287 7.911677 8.795651 8.896169 8.088428 7.538340 8.673992 7.614822 8.742536 8.237038 3.141645 4.338344 1.769441 0.000000 4.906915 6.614308 8.597791 2.401815 3.970268 7.082258 3.889890 2.183493 2.722688 2.856743 1.089113 3.488569 4.124923 2.926705 4.924668 3.468152 4.747880 3.456914 5.032641 5.938517 6.388636 7.131951 7.301080 6.922710 6.495640 7.654952 6.866413 7.973235 7.609438 2.394808 3.886554 1.771387 1.767402 0.000000 5.348328 5.270570 10.806578 5.229952 5.616213 9.094705 7.640920 2.153518 3.072327 3.462793 2.813589 1.094693 3.310864 4.757481 4.302140 6.623321 7.582770 7.075896 7.584901 8.702193 8.694689 9.701393 9.676879 8.399456 7.511607 8.949920 7.191004 8.681774 7.823240 3.827147 3.657442 3.227427 2.572050 3.788619 0.000000 6.427769 6.435339 10.534591 4.876020 4.681929 9.219132 7.469981 2.149973 3.507699 3.076430 2.739726 1.094160 4.112724 4.123467 5.352287 6.128113 7.163132 6.773820 7.455979 8.088755 8.589973 9.162065 9.364415 8.692433 7.717006 9.479404 7.603250 9.382941 8.488648 4.325701 3.091125 2.575102 3.008842 3.769309 1.770182 0.000000 5.443146 4.888925 9.934747 4.968925 4.732603 8.452629 7.918423 2.189234 2.828068 2.706283 3.492054 1.091033 2.829831 4.105723 4.054842 6.339598 7.068260 7.134672 7.070531 8.041866 8.029494 8.916898 8.890403 7.712995 6.623570 8.404255 6.268210 8.122653 7.094763 3.867709 2.385269 3.790412 3.768048 4.346930 1.770404 1.764817 0.000000 3.697322 2.788360 8.760207 4.843032 4.988248 6.951599 7.790965 2.901211 2.199986 2.838518 4.331733 2.852114 1.083979 4.203917 2.057734 6.211967 6.547176 7.006564 6.118598 7.617546 6.848325 8.235597 7.873187 5.978431 4.899317 6.473942 4.273997 6.011853 4.933246 3.117469 2.609260 5.044036 4.608035 4.784016 3.159450 3.842470 2.247841 0.000000 6.900233 8.620225 6.093814 2.087930 2.448127 5.794644 3.131614 4.789918 4.868991 3.995795 4.502963 6.085737 6.178225 2.574173 6.982243 1.092727 2.155052 2.084307 3.401912 2.617674 4.550160 4.001115 4.763199 6.282801 6.003090 7.460656 6.999560 8.279269 8.081043 4.545602 4.656993 4.420701 5.503573 3.839232 6.879756 6.112355 6.528930 6.716200 0.000000 4.067339 6.185394 4.497590 2.636753 4.065266 2.670120 3.876465 4.949785 3.901022 4.080581 5.206348 6.363558 4.609942 3.432041 4.708003 2.726301 2.161962 3.158626 1.083237 3.408040 2.137527 3.879595 3.376788 2.869517 3.048536 3.813182 4.084281 4.684535 4.803391 3.176585 4.765540 5.876783 5.908423 4.441523 6.902670 6.994147 6.544268 5.466718 3.759686 0.000000 8.148598 9.782275 4.507779 3.951618 3.656460 5.250404 4.474232 6.802371 6.578317 5.675598 6.773148 8.057338 7.649842 4.225594 8.300566 2.727580 2.154447 3.590773 3.403352 1.083488 3.878631 2.148371 3.374929 6.108610 6.018771 7.392891 7.263608 8.430685 8.380517 6.250261 6.078760 6.740973 7.788143 6.102899 8.930914 8.133823 8.288474 8.143635 2.378623 4.305153 0.000000 8.866775 10.326178 2.590827 5.722842 5.342620 4.509807 6.272887 8.506169 7.929977 7.184766 8.747904 9.735906 8.683968 5.909048 9.092315 4.688796 3.404718 5.493176 3.879135 2.167343 3.399781 1.083075 2.134359 5.589652 5.733202 6.822594 7.077172 7.977190 8.093703 7.594477 7.409339 8.884839 9.740529 8.073812 10.615329 9.968809 9.761464 9.154428 4.704823 4.962218 2.500897 0.000000 4.774201 5.474868 4.001428 4.248516 4.201534 2.714111 6.605358 5.610823 4.440337 4.295106 6.534547 6.600430 4.458439 4.030922 4.587004 4.609363 3.703191 5.663607 2.842369 4.289681 2.632404 4.173754 3.405121 2.157304 1.082803 3.408960 2.156862 3.877582 3.405617 4.382332 4.297254 7.126112 7.318468 6.182003 7.307585 7.268110 6.292569 4.854442 5.262968 2.937300 5.190504 5.012508 0.000000 4.914940 6.477749 4.883322 6.768960 7.848577 2.546412 7.495259 8.283791 6.844106 7.490215 8.830534 9.433091 6.666657 7.298874 5.928375 6.890987 5.909380 7.116996 4.529003 6.618822 3.860306 6.183242 4.881148 2.142287 3.400342 1.083759 3.871967 2.166037 3.410221 6.240796 7.871970 9.700815 9.273518 8.188973 9.759971 10.313042 9.323235 7.435070 7.882462 4.213470 7.696136 7.002473 4.291518 0.000000 4.159656 3.531477 6.250128 5.598633 5.548119 4.583590 8.285534 5.634427 4.351809 4.643365 6.889916 6.181088 3.557929 5.145117 3.376768 6.437292 5.896013 7.408975 4.993669 6.660702 4.940996 6.642781 5.834571 3.381493 2.143526 3.872538 1.084144 3.394909 2.152934 4.636278 4.363304 7.614511 7.441331 6.840331 6.692878 7.032435 5.589313 3.638430 7.105415 4.653159 7.491146 7.455444 2.472657 4.956036 0.000000 4.339210 4.948395 6.857882 7.710191 8.661102 4.500763 9.037704 8.317762 6.804550 7.711639 9.117937 9.159655 6.114263 7.986786 5.062586 8.249052 7.501700 8.596514 6.133238 8.371262 5.707315 8.073785 6.816299 3.383941 3.879185 2.144128 3.395067 1.084394 2.154679 6.442376 7.921278 10.086157 9.392305 8.719813 9.323951 10.163829 8.875790 6.714118 9.236844 5.569911 9.421101 8.929646 4.961962 2.491467 4.294846 0.000000 3.925074 3.118243 7.395748 7.224494 7.718253 5.250770 9.376874 7.120084 5.684861 6.492822 8.235968 7.644459 4.632458 7.096289 3.706899 8.063408 7.497257 8.719179 6.312901 8.388828 6.112951 8.256209 7.184231 3.862091 3.403944 3.400385 2.152509 2.153963 1.082882 5.723526 6.421285 9.143566 8.535047 8.115647 7.850429 8.646747 7.131962 4.900414 8.915222 5.744022 9.338514 9.113097 4.299158 4.307903 2.482840 2.485035 0.000000 C22H18Cl2FNO3 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 0 416.1447031999997 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;2;3;7;4;5;6;30;31;32;33;34;35;36;37;38;39;40;41;42;43;44;45;46;47/rA:47nCl0Cl0F0O0O0O0N0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:-2.5561,-1.1044,1.7353;-4.4304,-1.9226,-.3652;4.7908,-2.1641,-.9193;.5798,2.3568,.2688;.8979,2.7084,-1.9353;2.4868,-2.4,.4573;2.2737,3.0982,3.0246;-2.3903,2.9191,-.3717;-2.1083,1.4575,-.0968;-1.2965,2.1988,-1.1682;-2.0258,3.9198,.7083;-3.6202,3.3222,-1.1643;-3.0223,.3812,-.5081;.1484,2.4513,-1.0157;-3.2821,-.7215,.1922;1.9992,2.5178,.4845;2.7665,1.2596,.1186;2.1341,2.8444,1.9098;2.247,.0149,.4711;3.9744,1.3542,-.571;2.923,-1.1446,.1103;4.6708,.1972,-.9115;4.1333,-1.0317,-.5732;1.1925,-2.7998,.1372;.4772,-2.2672,-.9338;.6653,-3.825,.9187;-.7907,-2.7762,-1.2157;-.5973,-4.329,.6171;-1.3301,-3.8079,-.4495;-1.5623,1.2792,.8202;-1.5491,1.9952,-2.2014;-1.7663,4.8848,.2609;-2.8895,4.0747,1.3623;-1.1901,3.5906,1.3243;-4.4967,3.3456,-.5088;-3.4811,4.3259,-1.5771;-3.834,2.648,-1.9949;-3.5419,.4859,-1.4536;2.3705,3.3672,-.094;1.3087,-.0675,1.0062;4.3689,2.3234,-.8521;5.6091,.2359,-1.451;.8983,-1.4745,-1.5393;1.2489,-4.2154,1.7442;-1.3543,-2.3609,-2.0435;-1.0108,-5.1268,1.2242;-2.3166,-4.1942,-.6733; 0.1660170 0.1305795 0.0860655 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= 1309 RedAO= T EigKep= 1.13D-06 NBF= 1309 NBsUse= 1304 1.00D-06 EigRej= 8.67D-07 NBFU= 1304 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= 1439 1439 1439 1439 1439 MxSgAt= 47 MxSgA2= 47. 1 Closed 1 1 1 -2150.24031046334 -2150.32961443436 -0.089303971017 -2150.32931870199 0.000295732362 -2150.33019483665 -0.000876134661 -2150.33024953540 -0.000054698744 -2150.33025472685 -0.000005191457 -2150.33025581124 -0.000001084387 -2150.33025589123 -0.000000079988 -2150.33025591138 -0.000000020148 -2150.33025591183 -0.000000000455 -2150.33025591247 -0.000000000633 -2150.33025591233 0.000000000135 -2150.33025591246 -0.000000000132 -2150.33025591 13 2.142610075912e+03 -1.125989764209e+04 3.864666522479e+03 Using DIIS extrapolation, IDIIS= 1040. NGot= 2831155200 LenX= 2826719618 LenY= 2824518846 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. PT79059.300S Thu Oct 3 12:48:11 2024 -101.56963 -101.56915 -24.70497 -19.19287 -19.17806 -19.13089 -14.33480 -10.32249 -10.29211 -10.28648 -10.27180 -10.25484 -10.24362 -10.23430 -10.21081 -10.20850 -10.20173 -10.20086 -10.20045 -10.19479 -10.19345 -10.19282 -10.17833 -10.17768 -10.17748 -10.17534 -10.17027 -10.16271 -10.16012 -9.48425 -9.48364 -7.24830 -7.24775 -7.23932 -7.23906 -7.23866 -7.23848 -1.24046 -1.13096 -1.09321 -1.04239 -0.93343 -0.92002 -0.89591 -0.88703 -0.86070 -0.84013 -0.81876 -0.78044 -0.77310 -0.75794 -0.75418 -0.74100 -0.73078 -0.69539 -0.67214 -0.65819 -0.63911 -0.61722 -0.60447 -0.60157 -0.58418 -0.56599 -0.56316 -0.55229 -0.54385 -0.52424 -0.51068 -0.50753 -0.49838 -0.49181 -0.49107 -0.48633 -0.47478 -0.46925 -0.46262 -0.45519 -0.44678 -0.44091 -0.43933 -0.43252 -0.42943 -0.42370 -0.41775 -0.41106 -0.41017 -0.40353 -0.40186 -0.39691 -0.38882 -0.38675 -0.38146 -0.37607 -0.37463 -0.36785 -0.36613 -0.36063 -0.35155 -0.34995 -0.34476 -0.34222 -0.33708 -0.33410 -0.33163 -0.32097 -0.30882 -0.29210 -0.27571 -0.26386 -0.26313 -0.24546 -0.23530 -0.04424 -0.03665 -0.03341 -0.02225 -0.01808 -0.01257 -0.00655 -0.00268 0.00145 0.00738 0.01097 0.01451 0.01539 0.01718 0.02443 0.02819 0.02941 0.03293 0.03842 0.04010 0.04559 0.04686 0.05096 0.05357 0.05769 0.06226 0.06358 0.06628 0.06913 0.07446 0.07642 0.08231 0.08338 0.08663 0.09091 0.09279 0.09309 0.09579 0.09709 0.10182 0.10399 0.10690 0.10922 0.11284 0.11505 0.11622 0.12086 0.12359 0.12433 0.12718 0.13002 0.13223 0.13610 0.13670 0.14026 0.14143 0.14457 0.14817 0.14993 0.15218 0.15292 0.15376 0.15596 0.15963 0.16362 0.16494 0.16906 0.17174 0.17341 0.17456 0.17751 0.18114 0.18194 0.18524 0.18811 0.18911 0.19082 0.19409 0.19669 0.20096 0.20232 0.20326 0.20550 0.20680 0.20782 0.20944 0.21148 0.21267 0.21502 0.21707 0.21955 0.21985 0.22310 0.22671 0.22840 0.22870 0.23129 0.23301 0.23476 0.23732 0.23891 0.24066 0.24180 0.24454 0.24676 0.24836 0.25282 0.25429 0.25631 0.25728 0.25963 0.26236 0.26386 0.26658 0.26783 0.27080 0.27317 0.27402 0.27581 0.27904 0.28105 0.28328 0.28686 0.28965 0.29426 0.29897 0.29997 0.30187 0.30542 0.30684 0.30860 0.31021 0.31459 0.31729 0.32212 0.32467 0.32637 0.32937 0.33101 0.33284 0.33604 0.33786 0.33990 0.34163 0.34521 0.34580 0.34769 0.34803 0.35127 0.35641 0.35955 0.36051 0.36338 0.36442 0.36673 0.37450 0.37726 0.37961 0.38421 0.38726 0.38784 0.39034 0.39407 0.39769 0.39889 0.40266 0.40352 0.41090 0.41237 0.41395 0.41508 0.41895 0.42062 0.42529 0.42608 0.43284 0.43742 0.43959 0.44509 0.44738 0.44889 0.45144 0.45441 0.45925 0.46394 0.46634 0.46916 0.47171 0.47396 0.48056 0.48301 0.48975 0.49277 0.49561 0.49909 0.50143 0.50459 0.50583 0.50767 0.50947 0.51528 0.51885 0.52282 0.52442 0.52627 0.53254 0.53387 0.53972 0.54426 0.54613 0.54982 0.55004 0.55327 0.55710 0.55946 0.56025 0.56284 0.56713 0.57078 0.57098 0.57557 0.57603 0.58081 0.58318 0.58555 0.58956 0.59029 0.59352 0.59563 0.59867 0.60114 0.60271 0.60858 0.60943 0.61010 0.61375 0.61831 0.61991 0.62329 0.62639 0.62960 0.63046 0.63343 0.63614 0.64000 0.64294 0.64556 0.64754 0.65159 0.65575 0.65794 0.66086 0.66310 0.67005 0.67418 0.67634 0.68165 0.68281 0.68414 0.68568 0.69180 0.69474 0.69921 0.70514 0.70599 0.70800 0.71539 0.71665 0.72111 0.72140 0.72422 0.72696 0.73284 0.73332 0.73464 0.74146 0.74824 0.74994 0.75364 0.75828 0.76383 0.76763 0.77013 0.77395 0.77917 0.78135 0.78436 0.78953 0.79266 0.79423 0.79748 0.80205 0.80847 0.81255 0.81882 0.82139 0.82592 0.82664 0.82931 0.83399 0.83840 0.84001 0.84572 0.84885 0.85667 0.85922 0.86601 0.87148 0.87619 0.87974 0.88179 0.88667 0.89216 0.89752 0.90291 0.91159 0.91620 0.91825 0.92064 0.92618 0.92900 0.93289 0.93934 0.94640 0.94853 0.96416 0.96487 0.96916 0.97449 0.97850 0.97982 0.98453 0.99090 0.99202 0.99792 1.00477 1.00897 1.01340 1.01457 1.01613 1.02924 1.03234 1.04173 1.04582 1.05123 1.05337 1.05869 1.06078 1.06552 1.07316 1.07647 1.08196 1.08732 1.09004 1.09527 1.10169 1.10291 1.10739 1.10798 1.11358 1.12140 1.12691 1.13104 1.13745 1.13789 1.14506 1.14652 1.15173 1.15454 1.15684 1.16515 1.16667 1.17249 1.17912 1.17994 1.18487 1.18754 1.19230 1.19468 1.19607 1.19842 1.20251 1.20948 1.21206 1.21666 1.22253 1.22433 1.22653 1.22794 1.23193 1.23495 1.23569 1.23888 1.24178 1.24839 1.25526 1.25934 1.26252 1.26569 1.26751 1.27119 1.27333 1.27540 1.27866 1.28182 1.28523 1.29184 1.29753 1.30080 1.30490 1.30952 1.31176 1.31527 1.31826 1.32101 1.32539 1.32716 1.33081 1.33374 1.33740 1.33918 1.34842 1.35253 1.35361 1.35705 1.36572 1.36718 1.37080 1.37216 1.37434 1.37711 1.38026 1.38393 1.38983 1.39204 1.39614 1.39904 1.40052 1.40404 1.40705 1.41048 1.41248 1.41524 1.42109 1.42402 1.42589 1.43427 1.43778 1.43908 1.44285 1.44832 1.45305 1.45633 1.46375 1.46602 1.46983 1.47430 1.47727 1.47786 1.48573 1.49163 1.49210 1.50001 1.50466 1.50592 1.51225 1.51582 1.52034 1.52355 1.52519 1.53370 1.53850 1.54014 1.54425 1.55052 1.55850 1.56250 1.56367 1.56903 1.57604 1.58078 1.58380 1.58956 1.59607 1.60003 1.60461 1.60898 1.61899 1.62022 1.62549 1.62844 1.63068 1.63521 1.64685 1.64869 1.65458 1.66229 1.66738 1.67075 1.67845 1.68725 1.69298 1.69409 1.70193 1.70337 1.71223 1.71899 1.72853 1.73246 1.74164 1.74835 1.75537 1.76262 1.76766 1.77556 1.78102 1.78892 1.79722 1.80041 1.80098 1.81532 1.82098 1.82584 1.82783 1.83735 1.84662 1.84803 1.86170 1.86427 1.86593 1.87520 1.88002 1.88218 1.88498 1.89252 1.90099 1.92225 1.92930 1.93308 1.93889 1.94606 1.95200 1.95687 1.97184 1.97587 1.98148 1.98459 1.99062 1.99462 2.00581 2.01218 2.02210 2.03287 2.03964 2.04283 2.05287 2.05498 2.06454 2.06703 2.07020 2.07593 2.07999 2.08536 2.09030 2.09492 2.10408 2.11064 2.11993 2.12387 2.13194 2.13562 2.14038 2.14378 2.15419 2.15555 2.16526 2.17037 2.17609 2.18794 2.19888 2.20186 2.20982 2.21395 2.22571 2.22848 2.23386 2.23682 2.25406 2.26373 2.27177 2.28017 2.29085 2.29842 2.30297 2.31480 2.32158 2.33469 2.34731 2.35105 2.35852 2.36628 2.37158 2.38205 2.38470 2.39202 2.40158 2.41642 2.41995 2.42461 2.42959 2.43185 2.43854 2.44659 2.45574 2.45958 2.46083 2.46923 2.47515 2.48553 2.49974 2.50499 2.52350 2.52901 2.53084 2.54487 2.55647 2.55991 2.56774 2.58240 2.59398 2.60776 2.62942 2.63697 2.64432 2.66008 2.66392 2.67918 2.68869 2.70230 2.71100 2.72162 2.73845 2.75635 2.76769 2.77938 2.78405 2.78981 2.79620 2.80384 2.81023 2.81574 2.81807 2.82540 2.83733 2.83922 2.84020 2.84400 2.85001 2.86081 2.86346 2.86764 2.87531 2.88040 2.88386 2.88838 2.89305 2.90243 2.90777 2.90986 2.91775 2.92040 2.93143 2.93506 2.93803 2.94252 2.94653 2.95050 2.95890 2.96040 2.96221 2.96724 2.97191 2.98357 2.98869 2.99824 3.00036 3.00834 3.01035 3.01635 3.02008 3.02873 3.03322 3.04102 3.04761 3.05734 3.06044 3.06743 3.07259 3.07908 3.09006 3.09603 3.09832 3.10699 3.11368 3.11583 3.12355 3.13131 3.13644 3.14094 3.15132 3.15737 3.16222 3.16771 3.17464 3.18675 3.18871 3.19116 3.20491 3.20836 3.21312 3.22673 3.22830 3.23456 3.24008 3.24568 3.24908 3.25450 3.26010 3.26246 3.27221 3.27566 3.28161 3.28523 3.28805 3.30198 3.30659 3.30789 3.31574 3.31993 3.32630 3.32991 3.34197 3.34417 3.35225 3.35866 3.36129 3.38222 3.38630 3.39010 3.40159 3.40488 3.40923 3.41045 3.41439 3.41876 3.42402 3.43337 3.44345 3.44943 3.45687 3.46568 3.47424 3.48048 3.48197 3.49261 3.50273 3.51443 3.52245 3.52514 3.53293 3.53743 3.54177 3.55285 3.55749 3.57139 3.57388 3.58478 3.59026 3.59962 3.60440 3.61172 3.62308 3.62408 3.62645 3.63507 3.63794 3.64583 3.65188 3.66183 3.66933 3.67193 3.67736 3.68139 3.68637 3.69458 3.70539 3.70956 3.72417 3.72624 3.73362 3.74439 3.75421 3.75511 3.76246 3.77423 3.77929 3.79018 3.79414 3.80174 3.81026 3.82300 3.82406 3.83649 3.84224 3.84728 3.85214 3.86641 3.87840 3.89049 3.90438 3.91956 3.93383 3.94026 3.94747 3.97435 3.98524 3.98991 4.00106 4.00311 4.00865 4.03396 4.04337 4.05683 4.06815 4.07528 4.11000 4.12019 4.13697 4.16132 4.18737 4.18995 4.19544 4.19891 4.20789 4.21784 4.21946 4.23294 4.24297 4.24441 4.26833 4.27139 4.27598 4.27923 4.29925 4.30889 4.31621 4.31771 4.33833 4.33933 4.34204 4.34874 4.35073 4.35557 4.35886 4.36707 4.37345 4.37604 4.38052 4.38615 4.39308 4.39753 4.40097 4.40732 4.41749 4.42233 4.42287 4.43060 4.43725 4.44818 4.45437 4.46619 4.47363 4.48261 4.49160 4.49913 4.50949 4.51247 4.51582 4.52451 4.53023 4.54225 4.55637 4.56221 4.56853 4.56922 4.57248 4.58016 4.59227 4.59893 4.60499 4.61098 4.62887 4.63155 4.64598 4.65241 4.67777 4.69295 4.69971 4.71035 4.71258 4.73262 4.74189 4.75242 4.75649 4.76493 4.77494 4.77977 4.79337 4.80369 4.81930 4.83061 4.83734 4.87105 4.87686 4.90430 4.91968 4.93474 4.94537 4.97640 4.98239 4.99228 5.00873 5.02223 5.08572 5.09908 5.13169 5.15348 5.18892 5.19741 5.20013 5.20388 5.21511 5.22438 5.23514 5.25370 5.25778 5.27770 5.28283 5.30208 5.31014 5.31853 5.33492 5.34627 5.37364 5.37872 5.41483 5.44850 5.45786 5.46816 5.48325 5.50448 5.52560 5.54583 5.56623 5.57549 5.59577 5.61294 5.64956 5.65261 5.66431 5.68332 5.70801 5.71709 5.73886 5.75562 5.78319 5.79095 5.79914 5.80646 5.80947 5.83065 5.85158 5.86754 5.86955 5.88046 5.89421 5.90335 5.93592 5.95238 5.96697 5.97652 5.99095 6.00612 6.01404 6.01879 6.08106 6.13644 6.21075 6.22941 6.29863 6.34132 6.46067 6.47470 6.52514 6.53627 6.60870 6.62401 6.66053 6.69049 6.73797 6.74936 6.76483 6.80859 6.89782 6.91732 6.92824 6.93925 7.04905 7.06162 7.10007 7.10765 7.11505 7.12006 7.13925 7.15377 7.16153 7.18213 7.18604 7.20365 7.21898 7.23236 7.24237 7.24879 7.25596 7.26083 7.27800 7.28552 7.29283 7.30333 7.31597 7.31879 7.32452 7.33031 7.33447 7.34594 7.35482 7.35892 7.37535 7.39539 7.39993 7.41665 7.42637 7.45148 7.45354 7.46300 7.46862 7.47694 7.48683 7.49134 7.50167 7.51051 7.53149 7.53771 7.56217 7.56789 7.58931 7.60043 7.62265 7.62883 7.63491 7.63826 7.65717 7.67500 7.68987 7.69680 7.70078 7.71554 7.72045 7.73510 7.74951 7.77212 7.81083 7.83345 7.86060 7.86924 7.90992 7.91584 7.91818 7.95150 7.95858 7.96171 7.96723 7.97183 7.98824 7.99728 8.01814 8.03748 8.05014 8.05638 8.10869 8.12201 8.12736 8.14630 8.16975 8.21576 8.22390 8.25691 8.27978 8.28608 8.30212 8.30480 8.32489 8.34095 8.35409 8.40946 8.44572 8.47023 8.47408 8.51027 8.53538 8.60110 8.61233 8.67553 8.70485 8.73216 8.81091 8.97396 9.03450 9.38030 9.39843 10.06134 10.08856 10.19767 10.20345 10.89059 10.90016 11.17989 14.41688 14.45440 14.47310 14.48463 14.49875 14.49928 14.58695 14.62648 14.68852 14.80870 14.97486 15.06619 15.10719 15.12218 15.24047 19.33011 19.36010 19.39220 19.49081 19.74689 24.01390 24.06968 24.08823 24.33394 24.45012 24.57823 24.61691 24.65682 24.75266 24.97136 24.97491 24.98041 25.00120 25.15473 25.25546 25.37930 25.39119 25.40900 25.42787 25.71673 25.80502 25.81154 26.21240 26.35669 26.64244 26.72620 27.90703 28.41171 37.01930 50.24695 50.29714 50.50667 67.03568 216.08376 216.12370 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 Cl Cl F O O O 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 -0.821519 -0.730937 -0.548468 -0.360303 -0.767000 -0.832307 -1.144785 0.301433 0.383909 -0.377881 -0.492750 -0.475159 0.071894 0.669334 0.632782 0.885117 0.629425 0.694235 -0.284035 -0.419303 0.677915 -0.221695 -0.038489 0.506231 -0.604551 -0.181513 0.372004 -0.167461 -0.305337 0.181391 0.154260 0.157611 0.152781 0.181544 0.159737 0.152996 0.165246 0.178956 0.178360 0.188313 0.163005 0.169277 0.183264 0.155402 0.123099 0.154865 0.149108 -0.00000 -3.3957 2.9692 -3.5976 5.7697 -177.8284 -183.7333 -199.5625 -0.7934 -1.5916 -12.7158 9.2130 3.3081 -12.5211 -0.7934 -1.5916 -12.7158 33.1967 0.0866 -52.0221 -65.2670 79.5093 -65.4050 -49.4328 -74.0471 -4.7901 -32.1698 -8158.2820 -6645.6817 -1736.5987 134.3736 -151.1137 8.4077 -270.6952 -138.9055 -183.4108 -2502.6064 -1697.4255 -1582.2910 -126.0869 -59.4964 -168.8079 (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A) (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(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-DEPAZ14 APULGAR 2024-10-03T00:00:00.000 0 Single Point Cyfluthrin_beta CONF27 octanol 0 1 Version=EM64L-G16RevC.01 State=1-A HF=-2150.3302559 RMSD=1.872e-09 Dipole=-1.1429095,1.3842706,-1.3893736 Quadrupole=6.3109217,2.7224608,-9.0333825,-1.6188558,-3.3323741,-9.0989743 PG=C01 [X(C22H18Cl2F1N1O3)] 0 -2.7307028289 -0.6087146641 1.8259627695 0 -4.7834377896 -1.0834023052 -0.2125649664 0 4.2203757115 -2.9992255204 -1.0226286873 0 0.9365904535 2.21759674 0.236314872 0 1.2481370188 2.4942424754 -1.9793688493 0 1.953428352 -2.8055015523 0.4204715069 0 2.8173923892 2.6528866742 2.935636799 0 -1.8996457023 3.3068532632 -0.3263856026 0 -1.8796107024 1.8197712342 -0.0444741941 0 -0.9786994824 2.3958101075 -1.1457862935 0 -1.3279452672 4.2301834275 0.7324965295 0 -3.0587687079 3.9227510104 -1.0883034849 0 -2.9854551825 0.9253785653 -0.4187415601 0 0.4919198093 2.3823417376 -1.0365653277 0 -3.4202952687 -0.1081734356 0.2999721147 0 2.3674225668 2.119056118 0.4104111399 0 2.882478114 0.7405000526 0.0361287182 0 2.6012978444 2.4229456646 1.8279069962 0 2.1563292211 -0.3872641102 0.4160217917 0 4.0666518843 0.6105832288 -0.6880136679 0 2.5998247714 -1.6521282788 0.0483438418 0 4.5311742896 -0.6554556449 -1.0358940729 0 3.7898226952 -1.7645026634 -0.6699190977 0 0.5992541142 -2.9651611548 0.1409879034 0 -0.0387786585 -2.31692568 -0.9149735537 0 -0.0820422926 -3.8734749488 0.9474964903 0 -1.3857919 -2.5884848742 -1.1559056486 0 -1.4234592711 -4.1412492013 0.6867271696 0 -2.0806176251 -3.5010435953 -0.3642440896 0 -1.3482257198 1.5499563001 0.8587250827 0 -1.2943852048 2.2361799393 -2.1693860567 0 -0.9109592064 5.1296973579 0.2680053341 0 -2.1295724488 4.5427567528 1.4087964863 0 -0.548106773 3.7577853368 1.3281975133 0 -3.8967593051 4.1083403576 -0.408832822 0 -2.7521139147 4.8823532227 -1.5152842546 0 -3.4157607333 3.2943385615 -1.905620386 0 -3.5050607693 1.1179873469 -1.350365042 0 2.8695290073 2.8839298166 -0.1870077743 0 1.2348783604 -0.2950475715 0.9780073767 0 4.6220648864 1.4905018314 -0.9900182119 0 5.4446640443 -0.790607839 -1.6018629202 0 0.501125874 -1.6169714613 -1.540296284 0 0.4451298933 -4.3592365677 1.7603061107 0 -1.8887674572 -2.0819352086 -1.971866556 0 -1.9568052796 -4.8474744112 1.3133835219 0 -3.1270410805 -3.7028704292 -0.5563302054