Gaussian 16 GINC-HAMILTON27 APULGAR Optimization CONF101 octanol EM64L-G16RevC.01 7-Oct-2024 Gaussian 16 3-Jul-2019 EM64L-G16RevC.01 50 50 116 116 804 (5D, 7F) 6-311+G(d,p) 144 144 C1[X(C23H19ClF3NO3)] C1[X(C23H19ClF3NO3)] RB3LYP 6-311+G(d,p) FOpt #P B3LYP 6-311+G(d,p) EmpiricalDispersion=gd3 scrf=(smd,Solvent=n-Octanol) opt freq 430.6992095999997 0 1 AuxInfo=1/0/N:9;10;11;12;13;14;15;16;17;18;19;20;21;22;23;24;25;26;27;28;29;30;31;1;2;3;4;8;5;6;7;32;33;34;35;36;37;38;39;40;41;42;43;44;45;46;47;48;49;50/rA:50nCl0F0F0F0O0O0O0N0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:-1.0511,1.9171,3.4035;-2.6568,-.592,2.9431;-.5546,-.9915,2.7735;-1.809,-1.0562,1.0238;1.2995,1.708,-.1403;2.403,3.5931,-.5889;.0947,-3.3848,-.2182;2.7945,.8584,-3.0431;-1.0674,3.7097,-.823;-1.1543,3.0932,.5397;.1412,3.7477,.092;-1.0432,2.8462,-2.0604;-1.7756,5.0258,-1.0301;-1.3177,1.6426,.7441;1.3893,3.0388,-.2492;-1.3322,1.0552,1.9341;2.4552,.9389,-.4505;-1.5876,-.4007,2.163;2.2547,-.442,.1171;2.6457,.9052,-1.9051;1.2552,-1.2684,-.387;3.0528,-.854,1.173;1.07,-2.5232,.1758;2.8508,-2.1096,1.7297;1.8689,-2.947,1.2338;-.4262,-3.3379,-1.4853;.3899,-3.372,-2.6088;-1.8073,-3.3346,-1.6088;-.1936,-3.3959,-3.867;-2.3773,-3.3715,-2.8739;-1.5755,-3.3962,-4.006;-1.6678,3.6923,1.2856;.3498,4.7143,.5373;-.5198,1.8992,-1.9408;-2.0623,2.6173,-2.3769;-.5575,3.3817,-2.8779;-1.2915,5.6076,-1.8166;-2.8119,4.8583,-1.3299;-1.7853,5.6328,-.1241;-1.4901,1.0185,-.1243;3.351,1.389,-.014;.632,-.9332,-1.208;3.8258,-.2024,1.5595;3.4695,-2.4402,2.5532;1.7114,-3.9278,1.6644;1.4681,-3.3877,-2.5082;-2.43,-3.3188,-.7235;.4402,-3.4238,-4.7438;-3.4553,-3.376,-2.9705;-2.0234,-3.4217,-4.9906; g16 /usr/local/gaussian/gaussian16/g16/l1.exe "/temporal/apulgar/opt-b3lyp-pople.com-6499903/Gau-1838465.inp" -scrdir="/temporal/apulgar/opt-b3lyp-pople.com-6499903/" chk=opt-b3lyp-pople.chk #P B3LYP 6-311+G(d,p) EmpiricalDispersion=gd3 scrf=(smd,Solvent=n-Octa 1/18=20,19=15,26=3,38=1/1,3 2/9=110,12=2,17=6,18=5,40=1/2 3/5=4,6=6,7=111,11=2,25=1,30=1,70=32201,71=1,72=25,74=-5,124=31/1,2,3 4//1 5/5=2,38=5,53=25/2 6/7=2,8=2,9=2,10=2,28=1/1 7//1,2,3,16 1/18=20,19=15,26=3/3(2) 2/9=110/2 99//99 2/9=110/2 3/5=4,6=6,7=111,11=2,25=1,30=1,70=32205,71=1,72=25,74=-5,124=31/1,2,3 4/5=5,16=3,69=1/1 5/5=2,38=5,53=25/2 7//1,2,3,16 1/18=20,19=15,26=3/3(-5) 2/9=110/2 6/7=2,8=2,9=2,10=2,19=2,28=1/1 99/9=1/99 Optimization CONF101 octanol 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 50 35 19 19 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 12 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 34.9688527 18.9984033 18.9984033 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 12.0000000 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 3 1 1 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 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 (Enter /usr/local/gaussian/gaussian16/g16/l101.exe) Berny optimization. R1 R2 R3 R4 R5 R6 R7 R8 R9 R10 R11 R12 R13 R14 R15 R16 R17 R18 R19 R20 R21 R22 R23 R24 R25 R26 R27 R28 R29 R30 R31 R32 R33 R34 R35 R36 R37 R38 R39 R40 R41 R42 R43 R44 R45 R46 R47 R48 R49 R50 R51 R52 1 2 3 4 5 5 6 7 7 8 9 9 9 9 10 10 10 11 11 12 12 12 13 13 13 14 14 16 17 17 17 19 19 21 21 22 22 23 24 24 25 26 26 27 27 28 28 29 29 30 30 31 16 18 18 18 15 17 15 23 26 20 10 11 12 13 11 14 32 15 33 34 35 36 37 38 39 16 40 18 19 20 41 21 22 23 42 24 43 25 25 44 45 27 28 29 46 30 47 31 48 31 49 50 1.7266 1.3373 1.3375 1.3328 1.3382 1.4225 1.2043 1.3597 1.3707 1.1487 1.4982 1.5164 1.5091 1.5088 1.519 1.474 1.0858 1.4754 1.0844 1.0886 1.0914 1.0913 1.0915 1.0917 1.0906 1.3272 1.0833 1.4957 1.5064 1.4674 1.0934 1.3914 1.3862 1.3876 1.0839 1.3883 1.0824 1.3918 1.3825 1.0818 1.0827 1.3891 1.3866 1.3871 1.083 1.3881 1.0824 1.3889 1.0822 1.3875 1.0823 1.082 estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2 A1 A2 A3 A4 A5 A6 A7 A8 A9 A10 A11 A12 A13 A14 A15 A16 A17 A18 A19 A20 A21 A22 A23 A24 A25 A26 A27 A28 A29 A30 A31 A32 A33 A34 A35 A36 A37 A38 A39 A40 A41 A42 A43 A44 A45 A46 A47 A48 A49 A50 A51 A52 A53 A54 A55 A56 A57 A58 A59 A60 A61 A62 A63 A64 A65 A66 A67 A68 A69 A70 A71 A72 A73 A74 A75 A76 A77 A78 A79 A80 A81 A82 A83 A84 A85 A86 15 23 10 10 11 11 12 9 9 11 11 14 9 9 10 10 15 9 9 9 34 34 35 9 9 9 37 37 38 10 10 16 5 5 6 1 1 14 5 5 5 19 19 20 2 2 2 3 3 4 17 17 21 19 19 23 19 19 24 7 7 21 22 22 25 23 23 24 7 7 27 26 26 29 26 26 30 27 27 31 28 28 31 29 29 30 5 7 9 9 9 9 9 10 10 10 10 10 11 11 11 11 11 12 12 12 12 12 12 13 13 13 13 13 13 14 14 14 15 15 15 16 16 16 17 17 17 17 17 17 18 18 18 18 18 18 19 19 19 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 30 30 30 31 31 31 17 26 12 13 12 13 13 14 32 14 32 32 15 33 15 33 33 34 35 36 35 36 36 37 38 39 38 39 39 16 40 40 6 11 11 14 18 18 19 20 41 20 41 41 3 4 16 4 16 16 21 22 22 23 42 42 24 43 43 21 25 25 25 44 44 24 45 45 27 28 28 29 46 46 30 47 47 31 48 48 31 49 49 30 50 50 117.7407 121.2509 120.7471 117.1665 119.7571 115.7876 113.2099 122.5172 115.1634 124.0201 111.593 113.2872 121.5075 115.049 125.6326 115.2846 111.1358 114.5436 110.0467 109.9143 107.3609 107.1709 107.53 110.8376 110.4514 112.0645 107.7448 107.8098 107.7666 124.135 118.2597 117.5209 122.4848 113.7231 123.791 122.7067 112.5509 124.7424 107.7756 109.5139 110.853 111.7027 109.6328 107.3874 106.7432 107.1866 111.4054 107.5296 111.5861 112.1037 120.2375 118.8702 120.8614 119.0826 120.2481 120.6693 119.3723 120.2853 120.3424 123.45 116.0454 120.4633 120.4866 119.8978 119.6143 119.7309 119.6463 120.6219 121.5718 117.4461 120.8755 119.1423 120.6716 120.1844 119.3485 120.009 120.6358 120.6183 119.275 120.1042 120.4521 119.3717 120.1756 119.5586 120.1962 120.2441 estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2 A87 A88 8 8 20 20 17 17 7 7 -1 -2 179.0944 estimate D2E/DX2|estimate D2E/DX2 179.4977 D1 D2 D3 D4 D5 D6 D7 D8 D9 D10 D11 D12 D13 D14 D15 D16 D17 D18 D19 D20 D21 D22 D23 D24 D25 D26 D27 D28 D29 D30 D31 D32 D33 D34 D35 D36 D37 D38 D39 D40 D41 D42 D43 D44 D45 D46 D47 D48 D49 D50 D51 D52 D53 D54 D55 D56 D57 D58 D59 D60 D61 D62 D63 D64 D65 D66 D67 D68 D69 D70 D71 D72 D73 D74 D75 D76 D77 D78 D79 D80 D81 D82 D83 D84 D85 D86 D87 D88 D89 D90 D91 D92 D93 D94 D95 D96 D97 D98 D99 D100 D101 D102 D103 D104 D105 D106 D107 D108 D109 D110 D111 D112 D113 D114 D115 17 17 15 15 15 26 26 23 23 12 12 13 13 12 12 13 13 10 10 10 11 11 11 13 13 13 10 10 10 11 11 11 12 12 12 14 14 32 32 9 9 11 11 32 32 9 9 10 10 33 33 10 10 40 40 1 1 1 14 14 14 5 5 20 20 41 41 17 17 22 22 17 17 21 21 19 19 42 42 19 19 43 43 7 7 21 21 22 22 44 44 7 7 28 28 7 7 27 27 26 26 46 46 26 26 47 47 27 27 48 48 28 28 49 49 5 5 5 5 5 7 7 7 7 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 10 10 10 10 10 10 10 10 10 10 11 11 11 11 11 11 14 14 14 14 16 16 16 16 16 16 17 17 17 17 17 17 19 19 19 19 19 19 19 19 21 21 21 21 22 22 22 22 23 23 23 23 24 24 24 24 26 26 26 26 26 26 26 26 27 27 27 27 28 28 28 28 29 29 29 29 30 30 30 30 15 15 17 17 17 23 23 26 26 10 10 10 10 11 11 11 11 12 12 12 12 12 12 12 12 12 13 13 13 13 13 13 13 13 13 11 11 11 11 14 14 14 14 14 14 15 15 15 15 15 15 16 16 16 16 18 18 18 18 18 18 19 19 19 19 19 19 21 21 21 21 22 22 22 22 23 23 23 23 24 24 24 24 25 25 25 25 25 25 25 25 27 27 27 27 28 28 28 28 29 29 29 29 30 30 30 30 31 31 31 31 31 31 31 31 6 11 19 20 41 21 25 27 28 14 32 14 32 15 33 15 33 34 35 36 34 35 36 34 35 36 37 38 39 37 38 39 37 38 39 15 33 15 33 16 40 16 40 16 40 5 6 5 6 5 6 1 18 1 18 2 3 4 2 3 4 21 22 21 22 21 22 23 42 23 42 24 43 24 43 7 25 7 25 25 44 25 44 24 45 24 45 23 45 23 45 29 46 29 46 30 47 30 47 31 48 31 48 31 49 31 49 30 50 30 50 29 50 29 50 -0.4007 179.9517 163.7285 -74.5621 43.7491 26.0168 -156.3156 52.5308 -131.1914 -4.5192 -149.3527 140.6357 -4.1978 4.7708 143.6491 -136.5258 2.3525 -34.7436 86.3081 -155.4487 36.6134 157.6652 -84.0917 178.8359 -60.1124 58.1307 152.5787 -88.0818 32.0877 84.0807 -156.5797 -36.4102 -59.7169 59.6226 179.7922 2.5041 -143.5166 143.7777 -2.243 176.5339 -6.8947 102.6626 -80.7661 -38.0442 138.5272 -72.1307 108.2269 0.3759 -179.2664 147.5698 -32.0725 -4.3009 175.7183 179.1044 -0.8764 59.6194 -59.5807 179.7359 -120.3981 120.4019 -0.2816 65.8069 -112.1906 -54.5339 127.4686 -173.4456 8.557 -178.4217 1.5796 -0.4647 179.5367 178.1337 -1.8486 0.1492 -179.8331 177.8552 0.2864 -2.1462 -179.715 0.3514 179.9312 -179.6664 -0.0865 -177.5379 2.1237 0.2044 179.866 -0.527 179.8147 179.892 0.2337 176.4898 -3.0317 0.3388 -179.1828 -176.0394 3.0246 0.2657 179.3297 -0.4947 -179.9148 179.0292 -0.3909 -0.7238 179.5729 -179.7818 0.5149 0.0447 -179.5816 179.46 -0.1663 0.5712 -179.8027 -179.7279 -0.1018 estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|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 835 A 804 A 1285 835 3407.0930014935 50 1.00e+00 60 F IExCor= 402 DFT=T Ex+Corr=B3LYP ExCW=0 ScaHFX= 0.200000 ScaDFX= 0.800000 0.720000 1.000000 0.810000 ScalE2= 1.000000 1.000000 IRadAn= 5 IRanWt= -1 IRanGd= 0 ICorTp=0 IEmpDi=131 NPDir=0 NMtPBC= 1 NCelOv= 1 NCel= 1 NClECP= 1 NCelD= 1 NCelK= 1 NCelE2= 1 NClLst= 1 CellRange= 0.0. One-electron integrals computed using PRISM. One-electron integral symmetry used in STVInt NBasis= 804 RedAO= T EigKep= 1.05D-06 NBF= 804 NBsUse= 801 1.00D-06 EigRej= 8.42D-07 NBFU= 801 Berny optimization. local minimum Step number 33 out of a maximum of 265 All quantities printed in internal units (Hartrees-Bohrs-Radians) 0.00142 0.00194 0.00328 0.00623 0.00735 0.00785 0.01012 0.01667 0.01799 0.01961 0.02053 0.02090 0.02156 0.02214 0.02235 0.02245 0.02248 0.02248 0.02251 0.02253 0.02256 0.02259 0.02260 0.02271 0.02277 0.02284 0.02310 0.02333 0.02375 0.02488 0.02543 0.02966 0.03229 0.03500 0.04315 0.04943 0.05439 0.05661 0.05743 0.05866 0.05985 0.07027 0.07650 0.08252 0.09388 0.09685 0.10243 0.10844 0.10996 0.12028 0.12997 0.13599 0.15563 0.15858 0.15917 0.15985 0.15995 0.15999 0.16003 0.16007 0.16008 0.16015 0.16041 0.16051 0.16101 0.16149 0.16290 0.16578 0.17690 0.18661 0.19361 0.20140 0.21799 0.21984 0.22111 0.22147 0.23401 0.23538 0.23918 0.24040 0.24420 0.24603 0.24794 0.24985 0.25104 0.25580 0.26184 0.26599 0.27361 0.28282 0.29417 0.30623 0.31490 0.31715 0.32136 0.32302 0.33465 0.34308 0.34528 0.34632 0.34646 0.34678 0.34690 0.34780 0.35255 0.35327 0.35467 0.35628 0.35654 0.35684 0.35699 0.35716 0.35743 0.35775 0.35790 0.35843 0.35861 0.36593 0.37523 0.39722 0.40579 0.43130 0.43233 0.43495 0.46758 0.47396 0.47551 0.47572 0.47671 0.47822 0.48094 0.48766 0.49437 0.51171 0.54522 0.56180 0.56820 0.58284 0.59683 0.60868 0.81323 1.01459 1.35313 1.60431 -6.19600944e-08 R1 R2 R3 R4 R5 R6 R7 R8 R9 R10 R11 R12 R13 R14 R15 R16 R17 R18 R19 R20 R21 R22 R23 R24 R25 R26 R27 R28 R29 R30 R31 R32 R33 R34 R35 R36 R37 R38 R39 R40 R41 R42 R43 R44 R45 R46 R47 R48 R49 R50 R51 R52 A1 A2 A3 A4 A5 A6 A7 A8 A9 A10 A11 A12 A13 A14 A15 A16 A17 A18 A19 A20 A21 A22 A23 A24 A25 A26 A27 A28 A29 A30 A31 A32 A33 A34 A35 A36 A37 A38 A39 A40 A41 A42 A43 A44 A45 A46 A47 A48 A49 A50 A51 A52 A53 A54 A55 A56 A57 A58 A59 A60 A61 A62 A63 A64 A65 A66 A67 A68 A69 A70 A71 A72 A73 A74 A75 A76 A77 A78 A79 A80 A81 A82 A83 A84 A85 A86 A87 A88 D1 D2 D3 D4 D5 D6 D7 D8 D9 D10 D11 D12 D13 D14 D15 D16 D17 D18 D19 D20 D21 D22 D23 D24 D25 D26 D27 D28 D29 D30 D31 D32 D33 D34 D35 D36 D37 D38 D39 D40 D41 D42 D43 D44 D45 D46 D47 D48 D49 D50 D51 D52 D53 D54 D55 D56 D57 D58 D59 D60 D61 D62 D63 D64 D65 D66 D67 D68 D69 D70 D71 D72 D73 D74 D75 D76 D77 D78 D79 D80 D81 D82 D83 D84 D85 D86 D87 D88 D89 D90 D91 D92 D93 D94 D95 D96 D97 D98 D99 D100 D101 D102 D103 D104 D105 D106 D107 D108 D109 D110 D111 D112 D113 D114 D115 3.31518 2.56474 2.56420 2.54554 2.55827 2.73334 2.29487 2.60500 2.63985 2.17719 2.84204 2.90072 2.86632 2.86914 2.92463 2.78772 2.05066 2.78800 2.04598 2.05495 2.06669 2.06716 2.06773 2.06872 2.06523 2.51622 2.04616 2.83812 2.86071 2.78443 2.06310 2.64005 2.62818 2.62553 2.04350 2.64205 2.04791 2.64177 2.62446 2.04843 2.04788 2.62758 2.62876 2.63607 2.04804 2.63513 2.04609 2.63704 2.04904 2.63695 2.04906 2.04879 2.06855 2.06363 2.11291 2.03514 2.10984 2.00242 1.97283 2.14486 2.02467 2.13085 1.94253 1.98507 2.17561 2.01267 2.16305 2.00797 1.93070 1.98835 1.91002 1.91386 1.88746 1.87863 1.88247 1.92781 1.91843 1.95260 1.88631 1.88946 1.88747 2.17921 2.07124 2.03265 2.13769 1.97734 2.16812 2.15303 1.97687 2.15246 1.85917 1.91042 1.91722 1.94944 1.94156 1.88601 1.85460 1.86667 1.95974 1.86721 1.95418 1.95499 2.06579 2.10579 2.11112 2.08196 2.09391 2.10716 2.07664 2.10203 2.10449 2.14783 2.03220 2.10315 2.10772 2.09029 2.08507 2.08559 2.07948 2.11804 2.08352 2.07740 2.12186 2.07642 2.08619 2.12054 2.07671 2.08674 2.11974 2.09897 2.08689 2.09733 2.09886 2.08686 2.09746 2.09351 2.09468 2.09498 3.12145 3.12640 0.00837 -3.12410 2.91046 -1.26238 0.80578 -0.10420 3.03249 1.58954 -1.58179 -0.00772 -2.59233 2.51159 -0.07302 0.01518 2.51429 -2.44624 0.05287 -0.62549 1.48958 -2.73199 0.64624 2.76131 -1.46026 3.11814 -1.04997 1.01164 2.66933 -1.53394 0.56324 1.46908 -2.73419 -0.63701 -1.04577 1.03415 3.13133 -0.01071 -2.48094 2.41481 -0.05542 3.05638 -0.10029 1.77903 -1.37765 -0.63090 2.49561 -0.88299 2.26791 0.38032 -2.75196 2.87575 -0.25653 -0.05948 3.12861 3.09689 0.00180 0.99365 -1.09108 3.09449 -2.19022 2.00824 -0.08938 0.94279 -2.16561 -1.14239 2.03240 3.03176 -0.07664 -3.09515 0.02764 0.01314 3.13593 3.11088 -0.02273 0.00335 -3.13026 3.11512 -0.02138 -0.00752 3.13916 -0.01187 -3.13779 3.12172 -0.00419 -3.12377 0.00425 0.01306 3.14108 0.00378 -3.12393 3.12974 0.00203 3.11823 -0.03247 0.00715 3.13964 -3.11727 0.02450 -0.00609 3.13568 -0.00103 3.13905 -3.13333 0.00675 -0.00111 3.14078 3.14031 -0.00099 -0.00599 3.13897 3.13712 -0.00111 0.00707 -3.13788 -3.13482 0.00341 0.00000 0.00001 -0.00001 -0.00001 -0.00001 0.00001 -0.00000 -0.00000 0.00001 -0.00000 0.00001 -0.00001 0.00000 -0.00000 -0.00000 -0.00001 -0.00000 -0.00001 0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00001 -0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00002 -0.00001 -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 0.00006 0.00001 -0.00001 0.00001 -0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00001 -0.00000 -0.00000 -0.00002 0.00001 0.00001 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00003 -0.00001 -0.00001 0.00003 -0.00005 0.00002 0.00001 0.00000 -0.00001 -0.00005 0.00001 0.00002 0.00002 0.00001 -0.00001 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 -0.00000 0.00000 0.00001 -0.00001 -0.00000 -0.00000 0.00000 0.00000 0.00001 -0.00001 -0.00000 0.00000 -0.00001 0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00001 0.00000 0.00000 0.00001 0.00000 0.00000 0.00001 -0.00000 -0.00000 -0.00000 -0.00000 0.00001 -0.00000 0.00001 -0.00000 -0.00001 0.00000 -0.00002 -0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00001 -0.00001 -0.00000 0.00000 -0.00001 -0.00000 0.00000 0.00001 -0.00000 0.00001 0.00000 0.00001 -0.00000 0.00000 -0.00001 -0.00000 0.00000 0.00001 -0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00001 0.00000 0.00001 -0.00001 0.00000 0.00001 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 -0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00002 -0.00002 0.00003 -0.00000 0.00000 -0.00001 -0.00001 -0.00000 0.00000 -0.00000 0.00001 0.00002 -0.00000 -0.00001 -0.00003 -0.00003 -0.00000 0.00001 0.00000 0.00001 0.00001 -0.00000 -0.00000 0.00000 0.00000 -0.00001 -0.00001 -0.00001 0.00000 0.00001 0.00000 0.00000 0.00000 0.00001 0.00002 -0.00001 0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00001 -0.00000 0.00000 0.00001 0.00001 0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00001 -0.00003 -0.00003 -0.00000 -0.00003 0.00002 0.00004 -0.00003 -0.00003 0.00004 0.00000 0.00001 -0.00006 -0.00001 0.00005 0.00002 -0.00001 -0.00000 0.00001 -0.00000 0.00001 -0.00001 -0.00001 0.00000 0.00001 -0.00002 -0.00000 0.00000 0.00001 0.00004 -0.00001 -0.00003 -0.00000 0.00000 -0.00000 -0.00001 0.00002 -0.00001 -0.00002 0.00000 -0.00000 -0.00002 0.00001 0.00003 -0.00000 0.00000 0.00002 -0.00001 -0.00002 0.00000 -0.00002 0.00001 0.00002 -0.00002 -0.00002 0.00003 -0.00001 0.00000 0.00000 0.00002 -0.00002 0.00000 -0.00000 0.00001 -0.00001 0.00000 0.00001 -0.00001 -0.00001 -0.00001 0.00001 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 -0.00003 -0.00002 -0.00027 -0.00029 0.00037 0.00034 0.00037 0.00056 0.00052 -0.00059 -0.00056 -0.00010 -0.00001 -0.00008 0.00000 0.00013 0.00001 0.00007 -0.00004 -0.00033 -0.00031 -0.00031 -0.00038 -0.00036 -0.00036 -0.00033 -0.00031 -0.00031 -0.00010 -0.00009 -0.00009 -0.00008 -0.00008 -0.00007 -0.00011 -0.00010 -0.00010 0.00004 -0.00006 0.00012 0.00002 0.00048 0.00044 0.00046 0.00041 0.00038 0.00034 -0.00057 -0.00058 -0.00056 -0.00057 -0.00046 -0.00047 -0.00006 0.00003 -0.00002 0.00007 -0.00029 -0.00029 -0.00027 -0.00037 -0.00037 -0.00035 0.00031 0.00036 0.00033 0.00038 0.00030 0.00035 0.00002 0.00003 -0.00002 -0.00001 -0.00007 -0.00004 -0.00002 0.00000 0.00001 0.00005 0.00000 0.00004 0.00004 0.00005 0.00001 0.00002 -0.00000 0.00002 -0.00004 -0.00001 -0.00001 -0.00003 -0.00002 -0.00005 0.00003 0.00003 -0.00001 -0.00001 -0.00002 -0.00001 0.00002 0.00003 -0.00001 0.00000 -0.00000 0.00001 -0.00001 -0.00002 -0.00003 -0.00003 0.00001 0.00002 -0.00000 0.00001 0.00000 -0.00001 0.00001 0.00000 0.00001 0.00001 -0.00002 -0.00001 -0.00001 0.00001 -0.00000 -0.00002 0.00002 -0.00000 0.00003 -0.00006 -0.00000 -0.00000 0.00006 -0.00003 -0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00001 -0.00000 0.00000 0.00001 0.00001 -0.00000 0.00004 -0.00002 -0.00002 0.00001 0.00001 -0.00000 0.00002 -0.00002 -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 0.00005 -0.00000 0.00000 -0.00003 -0.00000 0.00000 0.00001 -0.00003 0.00000 0.00003 -0.00002 0.00002 0.00012 -0.00001 -0.00009 -0.00006 0.00001 0.00000 0.00001 0.00000 -0.00001 -0.00001 -0.00000 0.00001 -0.00001 0.00001 -0.00000 -0.00001 0.00000 0.00008 -0.00003 -0.00005 0.00002 -0.00003 0.00001 0.00002 0.00000 -0.00002 -0.00004 0.00002 0.00002 0.00003 -0.00002 -0.00001 0.00000 -0.00001 -0.00000 0.00001 -0.00000 0.00000 0.00002 -0.00004 0.00002 -0.00002 -0.00002 0.00004 0.00000 -0.00001 0.00000 0.00004 -0.00003 -0.00000 -0.00002 0.00001 0.00001 0.00002 -0.00002 0.00000 -0.00000 -0.00001 0.00001 -0.00001 -0.00000 0.00001 -0.00001 -0.00000 0.00001 -0.00000 0.00000 0.00000 -0.00000 0.00002 -0.00001 0.00001 0.00000 -0.00001 -0.00007 -0.00000 -0.00003 0.00007 0.00015 0.00018 0.00019 -0.00050 -0.00046 0.00028 0.00028 -0.00002 -0.00003 -0.00006 -0.00006 -0.00017 0.00004 -0.00018 0.00003 -0.00009 -0.00009 -0.00009 -0.00006 -0.00006 -0.00005 -0.00005 -0.00005 -0.00004 0.00018 0.00018 0.00018 0.00016 0.00015 0.00016 0.00015 0.00015 0.00015 -0.00026 -0.00005 -0.00020 0.00002 0.00036 0.00038 0.00041 0.00043 0.00036 0.00038 0.00025 0.00035 0.00028 0.00038 0.00005 0.00016 -0.00004 0.00003 -0.00006 0.00001 -0.00017 -0.00017 -0.00018 -0.00022 -0.00022 -0.00023 -0.00001 0.00015 -0.00003 0.00013 -0.00002 0.00014 0.00013 0.00013 -0.00002 -0.00003 -0.00010 -0.00014 0.00006 0.00002 0.00000 -0.00004 0.00001 -0.00004 -0.00004 -0.00004 0.00000 0.00000 0.00002 -0.00003 0.00006 0.00001 -0.00002 0.00003 -0.00002 0.00003 -0.00003 0.00001 -0.00002 0.00002 0.00002 0.00002 0.00002 0.00001 0.00001 0.00001 -0.00003 -0.00003 0.00000 -0.00001 0.00001 -0.00001 0.00001 0.00000 0.00001 0.00000 -0.00002 -0.00001 -0.00000 0.00001 0.00003 -0.00001 0.00001 -0.00001 -0.00001 0.00000 -0.00001 -0.00002 0.00002 -0.00000 0.00004 -0.00003 -0.00000 -0.00001 0.00003 -0.00006 -0.00000 0.00001 0.00000 0.00001 0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00001 -0.00000 0.00001 0.00002 -0.00000 0.00004 -0.00001 -0.00001 0.00003 0.00000 -0.00000 0.00002 -0.00002 0.00000 -0.00000 -0.00001 -0.00001 0.00000 0.00000 0.00000 0.00001 -0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00007 -0.00003 -0.00003 -0.00003 -0.00003 0.00002 0.00004 -0.00006 -0.00002 0.00007 -0.00002 0.00004 0.00007 -0.00002 -0.00003 -0.00004 0.00000 0.00000 0.00003 0.00000 0.00000 -0.00002 -0.00001 0.00001 0.00000 -0.00001 -0.00001 -0.00001 0.00001 0.00012 -0.00004 -0.00009 0.00002 -0.00003 0.00001 0.00002 0.00002 -0.00004 -0.00006 0.00003 0.00002 0.00002 -0.00001 0.00001 -0.00000 -0.00000 0.00002 0.00000 -0.00002 0.00000 -0.00001 -0.00003 0.00003 -0.00004 -0.00003 0.00007 -0.00000 -0.00000 0.00001 0.00006 -0.00006 0.00000 -0.00002 0.00002 0.00000 0.00003 -0.00002 -0.00001 -0.00001 -0.00002 0.00003 -0.00001 -0.00000 0.00001 -0.00002 0.00001 0.00001 -0.00001 0.00001 0.00000 0.00000 0.00002 -0.00002 0.00001 0.00000 -0.00001 -0.00010 -0.00002 -0.00030 -0.00022 0.00052 0.00052 0.00056 0.00006 0.00006 -0.00032 -0.00028 -0.00012 -0.00004 -0.00014 -0.00006 -0.00004 0.00005 -0.00011 -0.00001 -0.00042 -0.00040 -0.00040 -0.00044 -0.00042 -0.00041 -0.00038 -0.00036 -0.00036 0.00009 0.00009 0.00009 0.00008 0.00008 0.00008 0.00004 0.00005 0.00005 -0.00022 -0.00011 -0.00008 0.00003 0.00083 0.00081 0.00086 0.00084 0.00074 0.00072 -0.00032 -0.00023 -0.00028 -0.00019 -0.00040 -0.00031 -0.00010 0.00005 -0.00008 0.00007 -0.00046 -0.00046 -0.00045 -0.00059 -0.00059 -0.00059 0.00031 0.00051 0.00031 0.00051 0.00029 0.00049 0.00016 0.00017 -0.00004 -0.00004 -0.00017 -0.00018 0.00004 0.00003 0.00002 0.00001 0.00001 0.00001 -0.00000 0.00001 0.00001 0.00003 0.00002 -0.00001 0.00002 -0.00000 -0.00003 -0.00000 -0.00004 -0.00002 0.00001 0.00004 -0.00003 0.00001 -0.00000 0.00000 0.00004 0.00004 -0.00000 0.00001 -0.00004 -0.00002 -0.00001 -0.00003 -0.00002 -0.00004 0.00002 0.00002 0.00001 0.00001 -0.00002 -0.00001 0.00000 0.00001 3.31521 2.56473 2.56420 2.54552 2.55826 2.73334 2.29486 2.60498 2.63988 2.17719 2.84208 2.90068 2.86632 2.86913 2.92466 2.78767 2.05066 2.78801 2.04598 2.05496 2.06670 2.06715 2.06773 2.06872 2.06523 2.51623 2.04614 2.83812 2.86072 2.78445 2.06309 2.64009 2.62817 2.62552 2.04353 2.64205 2.04791 2.64179 2.62444 2.04843 2.04787 2.62758 2.62875 2.63607 2.04804 2.63513 2.04610 2.63704 2.04903 2.63695 2.04906 2.04879 2.06862 2.06360 2.11288 2.03511 2.10981 2.00244 1.97287 2.14480 2.02464 2.13092 1.94252 1.98511 2.17567 2.01265 2.16302 2.00793 1.93070 1.98835 1.91004 1.91386 1.88746 1.87861 1.88247 1.92782 1.91844 1.95259 1.88630 1.88945 1.88748 2.17933 2.07121 2.03256 2.13771 1.97731 2.16813 2.15305 1.97688 2.15243 1.85911 1.91045 1.91724 1.94946 1.94154 1.88602 1.85460 1.86666 1.95976 1.86721 1.95417 1.95499 2.06579 2.10576 2.11115 2.08192 2.09388 2.10723 2.07664 2.10202 2.10450 2.14789 2.03214 2.10315 2.10770 2.09031 2.08508 2.08561 2.07946 2.11803 2.08351 2.07739 2.12189 2.07641 2.08619 2.12055 2.07668 2.08676 2.11974 2.09896 2.08690 2.09733 2.09886 2.08687 2.09745 2.09352 2.09469 2.09497 3.12135 3.12638 0.00806 -3.12432 2.91098 -1.26186 0.80634 -0.10414 3.03256 1.58922 -1.58207 -0.00784 -2.59237 2.51145 -0.07308 0.01514 2.51434 -2.44634 0.05286 -0.62592 1.48918 -2.73239 0.64580 2.76089 -1.46067 3.11776 -1.05033 1.01129 2.66941 -1.53385 0.56334 1.46915 -2.73411 -0.63692 -1.04573 1.03420 3.13138 -0.01093 -2.48105 2.41473 -0.05539 3.05722 -0.09948 1.77989 -1.37680 -0.63016 2.49633 -0.88331 2.26768 0.38004 -2.75215 2.87535 -0.25684 -0.05958 3.12867 3.09681 0.00188 0.99319 -1.09153 3.09404 -2.19081 2.00765 -0.08996 0.94310 -2.16510 -1.14208 2.03291 3.03205 -0.07615 -3.09499 0.02781 0.01310 3.13590 3.11071 -0.02291 0.00339 -3.13023 3.11514 -0.02136 -0.00751 3.13917 -0.01188 -3.13777 3.12173 -0.00416 -3.12375 0.00425 0.01308 3.14108 0.00376 -3.12393 3.12970 0.00201 3.11824 -0.03243 0.00713 3.13965 -3.11727 0.02451 -0.00605 3.13572 -0.00104 3.13906 -3.13337 0.00673 -0.00112 3.14075 3.14029 -0.00103 -0.00596 3.13899 3.13713 -0.00110 0.00706 -3.13790 -3.13481 0.00342 |Maximum Force|RMS Force|Maximum Displacement|RMS Displacement| 0.000064 0.000008 0.001759 0.000461 0.000450 0.000300 0.001800 0.001200 YES YES YES YES -3.093636e-08 Optimization completed. -- Stationary point found. R1 R2 R3 R4 R5 R6 R7 R8 R9 R10 R11 R12 R13 R14 R15 R16 R17 R18 R19 R20 R21 R22 R23 R24 R25 R26 R27 R28 R29 R30 R31 R32 R33 R34 R35 R36 R37 R38 R39 R40 R41 R42 R43 R44 R45 R46 R47 R48 R49 R50 R51 R52 1 2 3 4 5 5 6 7 7 8 9 9 9 9 10 10 10 11 11 12 12 12 13 13 13 14 14 16 17 17 17 19 19 21 21 22 22 23 24 24 25 26 26 27 27 28 28 29 29 30 30 31 16 18 18 18 15 17 15 23 26 20 10 11 12 13 11 14 32 15 33 34 35 36 37 38 39 16 40 18 19 20 41 21 22 23 42 24 43 25 25 44 45 27 28 29 46 30 47 31 48 31 49 50 1.7543 1.3572 1.3569 1.347 1.3538 1.4464 1.2144 1.3785 1.397 1.1521 1.5039 1.535 1.5168 1.5183 1.5476 1.4752 1.0852 1.4753 1.0827 1.0874 1.0936 1.0939 1.0942 1.0947 1.0929 1.3315 1.0828 1.5019 1.5138 1.4735 1.0917 1.3971 1.3908 1.3894 1.0814 1.3981 1.0837 1.398 1.3888 1.084 1.0837 1.3905 1.3911 1.3949 1.0838 1.3944 1.0827 1.3955 1.0843 1.3954 1.0843 1.0842 -DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0 A1 A2 A3 A4 A5 A6 A7 A8 A9 A10 A11 A12 A13 A14 A15 A16 A17 A18 A19 A20 A21 A22 A23 A24 A25 A26 A27 A28 A29 A30 A31 A32 A33 A34 A35 A36 A37 A38 A39 A40 A41 A42 A43 A44 A45 A46 A47 A48 A49 A50 A51 A52 A53 A54 A55 A56 A57 A58 A59 A60 A61 A62 A63 A64 A65 A66 A67 A68 A69 A70 A71 A72 A73 A74 A75 A76 A77 A78 A79 A80 A81 A82 A83 A84 A85 A86 15 23 10 10 11 11 12 9 9 11 11 14 9 9 10 10 15 9 9 9 34 34 35 9 9 9 37 37 38 10 10 16 5 5 6 1 1 14 5 5 5 19 19 20 2 2 2 3 3 4 17 17 21 19 19 23 19 19 24 7 7 21 22 22 25 23 23 24 7 7 27 26 26 29 26 26 30 27 27 31 28 28 31 29 29 30 5 7 9 9 9 9 9 10 10 10 10 10 11 11 11 11 11 12 12 12 12 12 12 13 13 13 13 13 13 14 14 14 15 15 15 16 16 16 17 17 17 17 17 17 18 18 18 18 18 18 19 19 19 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 30 30 30 31 31 31 17 26 12 13 12 13 13 14 32 14 32 32 15 33 15 33 33 34 35 36 35 36 36 37 38 39 38 39 39 16 40 40 6 11 11 14 18 18 19 20 41 20 41 41 3 4 16 4 16 16 21 22 22 23 42 42 24 43 43 21 25 25 25 44 44 24 45 45 27 28 28 29 46 46 30 47 47 31 48 48 31 49 49 30 50 50 118.5192 118.2374 121.0607 116.6049 120.8848 114.73 113.0346 122.8913 116.0049 122.0887 111.299 113.736 124.653 115.3173 123.9339 115.048 110.6207 113.9243 109.436 109.656 108.1435 107.6374 107.8578 110.4553 109.918 111.8757 108.0776 108.2581 108.1442 124.8593 118.6734 116.4621 122.4805 113.2931 124.2242 123.3597 113.2661 123.3271 106.5227 109.4593 109.8486 111.6947 111.243 108.0603 106.2609 106.9521 112.2849 106.9832 111.9664 112.0129 118.3613 120.6527 120.9581 119.2876 119.9724 120.7312 118.9828 120.4372 120.5784 123.0618 116.4362 120.5014 120.7634 119.7648 119.4658 119.4953 119.1452 121.3548 119.377 119.0264 121.5739 118.97 119.5299 121.4979 118.9865 119.5616 121.452 120.2621 119.5698 120.168 120.256 119.5681 120.1759 119.9494 120.0166 120.0338 -DE/DX = 0.0001|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = -0.0001|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0 A87 8 20 17 7 -1 178.8459 -DE/DX|=|0.0 D1 D2 D3 D4 D5 D6 D7 D8 D9 D10 D11 D12 D13 D14 D15 D16 D17 D18 D19 D20 D21 D22 D23 D24 D25 D26 D27 D28 D29 D30 D31 D32 D33 D34 D35 D36 D37 D38 D39 D40 D41 D42 D43 D44 D45 D46 D47 D48 D49 D50 D51 D52 D53 D54 D55 D56 D57 D58 D59 D60 D61 D62 D63 D64 D65 D66 D67 D68 D69 D70 D71 D72 D73 D74 D75 D76 D77 D78 D79 D80 D81 D82 D83 D84 D85 D86 D87 D88 D89 D90 D91 D92 D93 D94 D95 D96 D97 D98 D99 D100 D101 D102 D103 D104 D105 D106 D107 D108 D109 D110 D111 D112 D113 D114 17 17 15 15 15 26 26 23 23 12 12 13 13 12 12 13 13 10 10 10 11 11 11 13 13 13 10 10 10 11 11 11 12 12 12 14 14 32 32 9 9 11 11 32 32 9 9 10 10 33 33 10 10 40 40 1 1 1 14 14 14 5 5 20 20 41 41 17 17 22 22 17 17 21 21 19 19 42 42 19 19 43 43 7 7 21 21 22 22 44 44 7 7 28 28 7 7 27 27 26 26 46 46 26 26 47 47 27 27 48 48 28 28 49 5 5 5 5 5 7 7 7 7 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 10 10 10 10 10 10 10 10 10 10 11 11 11 11 11 11 14 14 14 14 16 16 16 16 16 16 17 17 17 17 17 17 19 19 19 19 19 19 19 19 21 21 21 21 22 22 22 22 23 23 23 23 24 24 24 24 26 26 26 26 26 26 26 26 27 27 27 27 28 28 28 28 29 29 29 29 30 30 30 15 15 17 17 17 23 23 26 26 10 10 10 10 11 11 11 11 12 12 12 12 12 12 12 12 12 13 13 13 13 13 13 13 13 13 11 11 11 11 14 14 14 14 14 14 15 15 15 15 15 15 16 16 16 16 18 18 18 18 18 18 19 19 19 19 19 19 21 21 21 21 22 22 22 22 23 23 23 23 24 24 24 24 25 25 25 25 25 25 25 25 27 27 27 27 28 28 28 28 29 29 29 29 30 30 30 30 31 31 31 31 31 31 31 6 11 19 20 41 21 25 27 28 14 32 14 32 15 33 15 33 34 35 36 34 35 36 34 35 36 37 38 39 37 38 39 37 38 39 15 33 15 33 16 40 16 40 16 40 5 6 5 6 5 6 1 18 1 18 2 3 4 2 3 4 21 22 21 22 21 22 23 42 23 42 24 43 24 43 7 25 7 25 25 44 25 44 24 45 24 45 23 45 23 45 29 46 29 46 30 47 30 47 31 48 31 48 31 49 31 49 30 50 30 50 29 50 29 0.4794 -178.9977 166.7571 -72.3289 46.1677 -5.9701 173.7491 91.0737 -90.6299 -0.4421 -148.5294 143.9036 -4.1836 0.8697 144.058 -140.1591 3.0292 -35.8381 85.3466 -156.5317 37.0268 158.2115 -83.6668 178.6564 -60.1589 57.9629 152.9411 -87.8881 32.2714 84.1719 -156.6573 -36.4978 -59.9183 59.2526 179.412 -0.6137 -142.1474 138.3583 -3.1755 175.1179 -5.7462 101.9309 -78.9333 -36.1479 142.9879 -50.5917 129.9416 21.7909 -157.6757 164.7684 -14.6982 -3.408 179.2564 177.4389 0.1033 56.9319 -62.5141 177.3012 -125.4903 115.0637 -5.121 54.0177 -124.0802 -65.4539 116.4481 173.7069 -4.391 -177.3389 1.5838 0.753 179.6758 178.2401 -1.3023 0.1919 -179.3506 178.4834 -1.2248 -0.431 179.8608 -0.6803 -179.7819 178.8615 -0.2401 -178.9787 0.2438 0.7482 179.9707 0.2168 -178.988 179.3211 0.1163 178.6614 -1.8605 0.4099 179.8881 -178.6063 1.4039 -0.3489 179.6613 -0.0593 179.8545 -179.5268 0.387 -0.0634 179.9535 179.9262 -0.0569 -0.3431 179.8496 179.7437 -0.0636 0.4052 -179.7875 -179.6118 -DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-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 -0.0609765593 PCM SMD-Coulomb. Total charges None On-the-fly selection n-Octanol 9.862900 2.043470 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 430.6992095999997 AuxInfo=1/0/N:9;10;11;12;13;14;15;16;17;18;19;20;21;22;23;24;25;26;27;28;29;30;31;1;2;3;4;8;5;6;7;32;33;34;35;36;37;38;39;40;41;42;43;44;45;46;47;48;49;50/rA:50nCl0F0F0F0O0O0O0N0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:-1.0511,1.9171,3.4035;-2.6568,-.592,2.9431;-.5546,-.9915,2.7735;-1.809,-1.0562,1.0238;1.2995,1.708,-.1403;2.403,3.5931,-.5889;.0947,-3.3848,-.2182;2.7945,.8584,-3.0431;-1.0674,3.7097,-.823;-1.1544,3.0932,.5397;.1412,3.7477,.092;-1.0432,2.8462,-2.0604;-1.7756,5.0258,-1.0301;-1.3177,1.6426,.7441;1.3893,3.0388,-.2492;-1.3322,1.0552,1.9341;2.4553,.9389,-.4505;-1.5876,-.4007,2.163;2.2547,-.442,.1171;2.6457,.9052,-1.9051;1.2552,-1.2684,-.3869;3.0528,-.854,1.173;1.07,-2.5232,.1758;2.8508,-2.1096,1.7297;1.8689,-2.9469,1.2338;-.4262,-3.3379,-1.4853;.3899,-3.372,-2.6088;-1.8073,-3.3346,-1.6088;-.1936,-3.3959,-3.867;-2.3773,-3.3715,-2.8739;-1.5755,-3.3962,-4.006;-1.6678,3.6923,1.2856;.3498,4.7143,.5373;-.5198,1.8992,-1.9408;-2.0623,2.6173,-2.3769;-.5575,3.3817,-2.8779;-1.2915,5.6076,-1.8166;-2.8119,4.8584,-1.33;-1.7853,5.6328,-.1241;-1.4901,1.0185,-.1243;3.351,1.389,-.014;.632,-.9332,-1.208;3.8258,-.2024,1.5595;3.4695,-2.4402,2.5532;1.7114,-3.9278,1.6644;1.4681,-3.3877,-2.5082;-2.43,-3.3188,-.7235;.4402,-3.4238,-4.7438;-3.4553,-3.376,-2.9705;-2.0234,-3.4217,-4.9906; 0.000000 3.014234 0.000000 3.017168 2.146537 0.000000 3.883016 2.148921 2.153825 0.000000 4.257707 5.518109 4.383501 4.319564 0.000000 5.538946 7.455960 6.408697 6.477445 2.229891 0.000000 6.522254 5.036275 3.885838 3.254033 5.233937 7.359077 0.000000 7.580832 8.225223 6.962134 6.434055 3.373894 3.695233 5.768308 0.000000 4.590961 5.934084 5.941244 5.164697 3.174157 3.480280 7.214397 5.288957 0.000000 3.097590 4.649015 4.693978 4.228449 2.898730 3.765476 6.640624 5.781363 1.498213 0.000000 3.967230 5.898317 5.489475 5.267727 2.357150 2.367164 7.139389 5.021676 1.516390 1.519015 0.000000 5.542360 6.281644 6.191332 5.032601 3.235832 3.820929 6.596424 4.432207 1.509145 2.614202 2.616980 0.000000 5.463124 6.936983 7.222569 6.419521 4.610406 4.439378 8.654173 6.504219 1.508821 2.566204 2.562552 2.519686 0.000000 2.686781 3.409043 3.411572 2.757331 2.763431 4.407433 5.309917 5.645211 2.606037 1.473976 2.642985 3.064215 3.847558 0.000000 4.533904 6.304241 5.399832 5.349561 1.338226 1.204325 6.552762 3.812424 2.610457 2.663706 1.475355 3.038779 3.817605 3.203718 0.000000 1.726598 2.342097 2.344772 2.348126 3.414040 5.172916 5.136302 6.468498 3.836433 2.475752 3.579705 4.387190 4.974843 1.327151 4.013509 0.000000 5.301461 6.323994 4.814522 4.933283 1.422494 2.658323 4.931529 2.615944 4.497259 4.318654 3.679519 4.297500 5.910907 4.019668 2.363578 4.477183 0.000000 2.683114 1.337263 1.337475 1.332784 4.252927 6.280807 4.171895 6.920366 5.107046 3.876815 4.948458 5.354949 6.299054 2.502198 5.148836 1.495716 4.996957 0.000000 5.224394 5.668445 3.905177 4.208634 2.366633 4.099020 3.665814 3.459694 5.399668 4.929221 4.692650 5.140949 6.888805 4.183377 3.605375 4.290574 1.506359 4.353226 0.000000 6.547680 7.339106 5.977322 5.680606 2.360339 3.002643 5.268483 1.148662 4.777369 5.020419 4.282630 4.171227 6.106762 4.823978 2.978711 5.530464 1.467384 6.014602 2.461119 0.000000 5.462118 5.181761 3.652480 3.380026 2.986959 4.999224 2.419564 3.734681 5.510573 5.068345 5.160640 5.001294 7.015462 4.046408 4.311475 4.181086 2.513193 3.916228 1.391412 2.993777 0.000000 5.431096 5.983448 3.948926 4.868263 3.370823 4.827297 4.134112 4.557921 6.464307 5.803546 5.551726 6.397115 7.920781 5.051572 4.465836 4.842827 2.491418 4.766465 1.386223 3.568632 2.415875 0.000000 5.885043 5.027567 3.425415 3.340602 4.249199 6.306381 1.359711 4.976999 6.664460 6.051736 6.339887 6.188393 8.157141 4.835074 5.587313 4.654793 3.781142 3.939120 2.395510 4.308923 1.387618 2.777082 0.000000 5.851618 5.840327 3.733180 4.829223 4.525190 6.172264 3.607857 5.620670 7.465433 6.672775 6.658238 7.354421 8.940569 5.694459 5.705960 5.249335 3.768671 4.775743 2.395146 4.726813 2.780932 1.388269 2.399346 0.000000 6.073983 5.380457 3.473871 4.140721 4.886815 6.810254 2.334065 5.799111 7.560629 6.790029 7.007658 7.272699 9.053848 5.608747 6.185335 5.172480 4.275556 4.392496 2.769628 5.029443 2.412659 2.405398 1.391814 1.382476 0.000000 7.204583 5.667961 4.864075 3.662469 5.499861 7.539657 1.370739 5.514404 7.107637 6.781538 7.281214 6.241328 8.484089 5.529043 6.744312 5.640224 5.259680 4.825510 4.259269 5.255155 2.883808 5.033865 2.379406 4.752209 3.579618 0.000000 8.136301 6.916216 5.960543 4.836707 5.720807 7.526281 2.408778 4.885384 7.447372 7.355004 7.618855 6.404684 8.815032 6.269305 6.903943 6.572948 5.244760 5.958929 4.415129 4.886537 3.179712 5.266275 2.989505 5.145130 4.139308 1.389064 0.000000 7.299028 5.381734 5.124842 3.481644 6.102240 8.170691 2.356650 6.388684 7.126537 6.808730 7.539854 6.244205 8.380508 5.527079 7.258564 5.661105 6.146041 4.783535 5.276956 6.155739 3.891195 6.124772 3.481696 5.860400 4.663166 1.386632 2.414357 0.000000 9.045645 7.765704 7.071600 5.657165 6.493643 8.144529 3.660167 5.263643 7.779378 7.902509 8.174166 6.553514 9.026375 6.921867 7.549718 7.400079 6.121967 6.875663 5.531078 5.514483 4.328494 6.511662 4.324641 6.499667 5.520289 2.393771 1.387098 2.776229 0.000000 8.314721 6.452995 6.393750 4.569030 6.840590 8.750909 3.628173 6.683424 7.487718 7.412190 8.113174 6.411034 8.618415 6.273299 7.884663 6.618523 6.914181 5.900801 6.243726 6.667783 4.878881 7.225077 4.680221 7.079466 5.923161 2.395055 2.779858 1.388093 2.399062 0.000000 9.132790 7.571180 7.265450 5.552428 7.018756 8.738155 4.139686 6.174577 7.802829 7.934304 8.412919 6.560201 8.934597 6.929650 8.019501 7.426928 6.905167 6.857814 6.355958 6.382337 5.063418 7.396368 5.024785 7.358380 6.286599 2.770998 2.411515 2.409208 1.388872 1.387521 0.000000 2.831422 4.698912 5.038876 4.757758 3.843910 4.482804 7.446627 6.832336 2.192480 1.085791 2.168016 3.507419 2.674412 2.148714 3.482587 2.736321 5.253096 4.186723 5.817496 6.046048 5.995840 6.554795 6.881806 7.367274 7.522634 7.657856 8.324937 7.600946 8.886200 8.228143 8.846291 0.000000 4.242911 6.556200 6.194703 6.180241 3.224740 2.596416 8.138227 5.802054 2.206340 2.211465 1.084441 3.489734 2.659088 3.501259 2.122849 4.262593 4.434265 5.706120 5.512923 5.074024 6.121030 6.222246 7.282223 7.364961 7.841407 8.338522 8.676855 8.604884 9.244879 9.189880 9.493627 2.382274 0.000000 5.370698 5.884271 5.530060 4.380078 2.566778 3.638627 5.591521 3.644543 2.197112 2.825094 2.826012 1.088568 3.490280 2.812716 2.793643 4.048135 3.463234 4.823971 4.172985 3.318056 3.949550 5.480798 5.154128 6.395609 6.266503 5.257716 5.390671 5.400091 5.643975 5.665834 5.781112 3.865592 3.849906 0.000000 5.909829 6.241352 6.467046 5.012312 4.139004 4.907998 6.733274 5.208248 2.144285 3.091537 3.497019 1.091428 2.774388 3.353404 4.076521 4.643067 5.190031 5.472109 5.849418 5.031803 5.483127 7.128531 6.538516 7.959034 7.710525 6.239874 6.475990 6.006676 6.470734 6.017633 6.249258 3.837369 4.325302 1.756481 0.000000 6.468787 7.353934 7.145818 6.040200 3.707369 3.748231 7.299588 4.198826 2.142521 3.481346 3.072930 1.091302 2.757045 4.089203 3.289018 5.400788 4.575641 6.385767 5.612408 4.164123 5.578028 6.883699 6.844092 7.937313 7.927506 6.863630 6.825106 6.948475 6.858987 6.994080 6.946126 4.320221 3.776609 1.754236 1.760588 0.000000 6.397416 7.934261 8.072132 7.262331 4.972966 4.383520 9.237904 6.383940 2.153950 3.448685 3.025660 2.783282 1.091480 4.720089 4.030137 5.898642 6.140156 7.212781 7.274067 6.133680 7.470571 8.340433 8.698058 9.449341 9.616307 8.993366 9.169951 8.959502 9.299040 9.106128 9.270558 3.665204 3.005408 3.789884 3.138496 2.572932 0.000000 5.844394 6.927377 7.493582 6.444200 5.314463 5.417112 8.810945 7.096848 2.149307 3.059245 3.460654 2.776799 1.091724 4.107974 4.704050 5.225674 6.624054 6.430944 7.473768 6.763342 7.414022 8.560946 8.474863 9.485751 9.455415 8.537797 8.923291 8.259037 9.023519 8.384710 8.765152 3.083818 3.674678 3.792517 2.584625 3.107834 1.763387 0.000000 5.175881 6.993926 7.334285 6.786826 4.992027 4.681707 9.211933 7.231145 2.168425 2.699750 2.703987 3.473509 1.090551 4.110280 4.101484 5.039492 6.334160 6.455489 7.299473 6.719780 7.545904 8.195607 8.646557 9.212747 9.423857 9.174615 9.591223 9.089541 9.902505 9.433450 9.830398 2.401444 2.416504 4.340683 3.774291 3.762755 1.763168 1.762881 0.000000 3.666881 3.655584 3.648597 2.392474 2.873688 4.690558 4.680677 5.186801 2.812407 2.204107 3.187021 2.699766 4.118354 1.083277 3.519688 2.064809 3.959650 2.693548 4.026771 4.504333 3.582714 5.082074 4.380371 5.662675 5.371400 4.686358 5.383604 4.610155 5.930842 5.255397 5.879137 3.028007 4.181193 2.239838 2.820948 3.746580 4.895248 4.236191 4.623794 0.000000 5.598041 6.983038 5.356389 5.803578 2.079998 2.467241 5.782222 3.125165 5.055976 4.848664 3.984728 5.061643 6.367192 4.736724 2.574068 5.083308 1.093418 5.686191 2.138104 2.075502 3.404871 2.555151 4.532571 3.940910 4.749122 6.226995 6.178037 7.173864 7.092551 7.978422 7.943841 5.673025 4.513251 4.353855 6.032942 5.239252 6.526827 7.193716 6.663630 4.856598 0.000000 5.676556 5.306947 4.154935 3.309710 2.926033 4.899698 2.697857 3.354692 4.959109 4.738888 4.882838 4.220955 6.429455 3.774498 4.155639 4.205309 2.720791 4.071054 2.151842 2.814371 1.083931 3.396431 2.152858 3.864839 3.398154 2.641820 2.822875 3.446399 3.717068 4.216225 4.332245 5.736041 5.917771 3.144224 4.607772 4.777221 6.844886 6.739213 7.080287 3.080050 3.769789 0.000000 5.628291 6.640065 4.613509 5.724220 3.594619 4.587596 5.216235 4.834627 6.702599 6.058306 5.597654 6.790075 8.088032 5.524950 4.440038 5.322370 2.687262 5.450585 2.146252 3.824049 3.396036 1.082351 3.859431 2.148695 3.386464 6.097690 6.263148 7.182013 7.470004 8.256971 8.387482 6.739710 6.107553 5.962678 7.623423 7.193801 8.446412 8.832863 8.268559 5.708366 2.287819 4.288806 0.000000 6.336021 6.410878 4.282591 5.667129 5.401015 6.885518 4.467906 6.531091 8.354812 7.486766 7.444796 8.342352 9.802626 6.546678 6.496146 5.971375 4.633459 5.466807 3.376839 5.634418 3.862685 2.143507 3.378802 1.081758 2.135293 5.682550 6.082634 6.779873 7.453198 8.031550 8.329996 8.099715 8.061214 7.412180 8.971316 8.922327 10.321282 10.382803 9.997681 6.612794 4.611631 4.946594 2.474246 0.000000 6.694733 5.643083 3.871321 4.587985 5.932010 7.881564 2.540254 6.800086 8.499419 7.666239 7.990717 8.206604 9.979295 6.407164 7.231789 5.845225 5.358210 4.855168 3.852293 6.080443 3.389444 3.389561 2.144793 2.146698 1.082692 3.851965 4.507263 4.842208 5.874353 6.133778 6.575683 8.344343 8.821018 7.206208 8.568021 8.899939 10.585768 10.325814 10.335900 6.157501 5.811487 4.287558 4.284861 2.468547 0.000000 8.332856 7.385619 6.142444 5.352597 5.621572 7.299953 2.670260 4.480521 7.722850 7.626862 7.709523 6.735623 9.137509 6.606257 6.812432 6.878624 4.891619 6.330837 4.023504 4.492178 3.006077 4.741551 2.847770 4.637359 3.789134 2.153438 1.083031 3.397087 2.146540 3.862807 3.392193 8.622848 8.727466 5.676745 6.967160 7.075651 9.434514 9.365051 9.881221 5.817952 5.708165 2.900751 5.679035 5.524575 4.214393 0.000000 6.807989 4.575038 4.600292 2.925470 6.286388 8.435077 2.575578 7.079883 7.160079 6.658565 7.563893 6.458922 8.375878 5.292143 7.431733 5.234486 6.485983 4.190076 5.561409 6.708271 4.230645 6.303438 3.700235 5.947037 4.738107 2.143770 3.392457 1.082433 3.858618 2.151689 3.392788 7.333013 8.593484 5.688453 6.173021 7.283144 9.064878 8.208523 8.994827 4.478207 7.489127 3.911718 7.352514 6.805326 4.819142 4.287767 0.000000 9.855376 8.757753 7.963374 6.627929 6.947420 8.387651 4.538896 5.174215 8.278467 8.539860 8.654824 6.979534 9.491987 7.673078 7.928886 8.233911 6.444051 7.807329 5.984350 5.626978 4.928706 6.959756 5.040854 7.031650 6.164434 3.372820 2.136193 3.858419 1.082207 3.381920 2.146605 9.562240 9.701921 6.092056 6.954115 7.126844 9.650616 9.530190 10.407539 6.693244 7.348927 4.329192 7.846778 7.961783 6.552431 2.460851 4.940786 0.000000 8.627045 6.584769 6.862509 4.903765 7.514401 9.410646 4.491969 7.549507 7.779548 7.711446 8.547631 6.735142 8.785074 6.599577 8.486739 6.942505 7.739720 6.220416 7.123652 7.528998 5.771147 8.116967 5.577210 7.966372 6.797624 3.373862 3.862159 2.138214 3.382728 1.082322 2.146240 8.442200 9.603993 6.124174 6.181603 7.353349 9.312293 8.420816 9.594273 5.592328 8.818861 5.077381 9.143749 8.907304 6.962905 4.945087 2.470570 4.280349 0.000000 9.995502 8.447002 8.267081 6.466452 7.802676 9.390175 5.221411 6.732291 8.315081 8.589741 9.050968 6.988102 9.333191 7.683271 8.710049 8.274789 7.725620 7.777537 7.298613 7.074082 6.048114 8.387543 6.088362 8.404854 7.356519 3.852965 3.391039 3.389834 2.147382 2.146670 1.081970 9.493512 10.118531 6.314636 6.580481 7.273136 9.598918 9.087463 10.282239 6.609116 8.763184 5.248990 9.353147 9.383154 7.648096 4.284142 4.287657 2.475871 2.476525 0.000000 C23H19ClF3NO3 C1 1 C1 1 C1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 430.6992095999997 AuxInfo=1/0/N:9;10;11;12;13;14;15;16;17;18;19;20;21;22;23;24;25;26;27;28;29;30;31;1;2;3;4;8;5;6;7;32;33;34;35;36;37;38;39;40;41;42;43;44;45;46;47;48;49;50/rA:50nCl0F0F0F0O0O0O0N0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:2.9647,2.7835,.0362;.5079,3.7838,-1.3952;-.0006,3.0142,.5431;-.6113,1.9567,-1.2311;1.4791,-1.0852,1.0131;3.0585,-2.4939,1.7156;-3.2901,.9574,.3227;-.3599,-3.8762,1.4729;3.213,-1.4933,-1.6142;3.1,-.0686,-1.1646;3.5164,-1.1397,-.1712;1.9799,-2.2982,-1.9447;4.4048,-1.8544,-2.4661;1.8122,.6467,-1.1145;2.6894,-1.6512,.9384;1.6652,1.8849,-.6601;.6094,-1.5166,2.0527;.384,2.6563,-.6869;-.4881,-.4937,2.1884;.0764,-2.8443,1.7265;-1.4003,-.3035,1.1551;-.5449,.2784,3.3383;-2.3815,.6681,1.292;-1.5284,1.251,3.4574;-2.4486,1.4457,2.4443;-3.6582,.0219,-.6091;-4.1015,-1.2406,-.2362;-3.6476,.4077,-1.9409;-4.5307,-2.1227,-1.2169;-4.0919,-.4809,-2.9103;-4.5288,-1.7489,-2.5545;3.935,.5693,-1.4378;4.5687,-1.1441,.0911;1.1119,-2.069,-1.329;1.6937,-2.134,-2.9851;2.1878,-3.3628,-1.825;4.6667,-2.9066,-2.3413;4.1826,-1.6898,-3.5222;5.2835,-1.2597,-2.2143;.9365,.1556,-1.5215;1.1486,-1.6047,2.9998;-1.342,-.9078,.2572;.1711,.1243,4.1352;-1.5813,1.8576,4.3515;-3.2184,2.2016,2.5362;-4.1207,-1.5339,.8062;-3.3094,1.3989,-2.2147;-4.8778,-3.1064,-.9287;-4.0903,-.1776,-3.9492;-4.8714,-2.44,-3.3132; 0.1644437 0.1144112 0.1019734 -101.57182 -24.72768 -24.72381 -24.72262 -19.19536 -19.17321 -19.13150 -14.33340 -10.44315 -10.32405 -10.28930 -10.25189 -10.24837 -10.24062 -10.23153 -10.21034 -10.20708 -10.20408 -10.20163 -10.20118 -10.18549 -10.18312 -10.18094 -10.18026 -10.17865 -10.17831 -10.17777 -10.17635 -10.17316 -10.16256 -10.16084 -9.48708 -7.25161 -7.24187 -7.24147 -1.34171 -1.25039 -1.24613 -1.14660 -1.10168 -1.05191 -0.93620 -0.91717 -0.89885 -0.88417 -0.86566 -0.82099 -0.79458 -0.77630 -0.75884 -0.75625 -0.74969 -0.73826 -0.72782 -0.69915 -0.67887 -0.65525 -0.64780 -0.62955 -0.62196 -0.61636 -0.61523 -0.61116 -0.59300 -0.56382 -0.56097 -0.55321 -0.55164 -0.52069 -0.51230 -0.50793 -0.49651 -0.49253 -0.49049 -0.48859 -0.48400 -0.48103 -0.47015 -0.46346 -0.45510 -0.45187 -0.44901 -0.44546 -0.44194 -0.43948 -0.43094 -0.42840 -0.42309 -0.42240 -0.41512 -0.41212 -0.40690 -0.39654 -0.39261 -0.38744 -0.38587 -0.38286 -0.37960 -0.37613 -0.37417 -0.36810 -0.36100 -0.35675 -0.35250 -0.34730 -0.34229 -0.34035 -0.33631 -0.33023 -0.30661 -0.29064 -0.27288 -0.26664 -0.26464 -0.26283 -0.23415 -0.04364 -0.03902 -0.02466 -0.01858 -0.01734 -0.00798 -0.00390 0.00396 0.00438 0.01088 0.01477 0.01754 0.01944 0.02696 0.02823 0.03272 0.03588 0.03778 0.04132 0.04717 0.05043 0.05131 0.05318 0.05631 0.05762 0.06228 0.06787 0.07015 0.07546 0.07707 0.07947 0.08205 0.08514 0.08979 0.09092 0.09576 0.09911 0.10019 0.10317 0.10826 0.11011 0.11036 0.11326 0.11342 0.11870 0.12050 0.12416 0.12659 0.12913 0.13243 0.13654 0.13923 0.14012 0.14094 0.14494 0.14542 0.14962 0.15069 0.15247 0.15559 0.15773 0.15806 0.16083 0.16235 0.16609 0.16773 0.17035 0.17116 0.17649 0.17674 0.18047 0.18145 0.18232 0.18611 0.18977 0.19228 0.19388 0.19728 0.20065 0.20144 0.20350 0.20465 0.20578 0.20891 0.21228 0.21325 0.21677 0.21747 0.21860 0.22014 0.22083 0.22375 0.22733 0.23021 0.23132 0.23239 0.23296 0.23686 0.23853 0.24017 0.24266 0.24393 0.24669 0.25002 0.25009 0.25184 0.25458 0.25590 0.25922 0.26127 0.26394 0.26571 0.26629 0.26906 0.27004 0.27327 0.27584 0.28053 0.28346 0.28510 0.28598 0.29008 0.29121 0.29631 0.29733 0.30072 0.30316 0.30459 0.30780 0.31301 0.31538 0.31657 0.31903 0.32271 0.32490 0.32751 0.33263 0.33389 0.33688 0.33998 0.34217 0.34524 0.34995 0.35484 0.35591 0.35862 0.36212 0.36273 0.36746 0.37184 0.37663 0.38026 0.38315 0.38720 0.39171 0.39468 0.39885 0.40072 0.40431 0.40700 0.41472 0.41675 0.41784 0.42350 0.43484 0.43966 0.44260 0.44790 0.45386 0.45624 0.46286 0.46602 0.47416 0.47693 0.48487 0.49180 0.49492 0.49857 0.50231 0.50485 0.51059 0.52268 0.52641 0.53266 0.53794 0.54376 0.54861 0.55096 0.55843 0.56140 0.56283 0.57055 0.57457 0.57517 0.57774 0.58591 0.59159 0.59430 0.59513 0.59836 0.60592 0.60805 0.61373 0.62261 0.62444 0.63169 0.63375 0.63649 0.64282 0.64879 0.65023 0.65786 0.66082 0.66440 0.66783 0.67072 0.67491 0.67736 0.68022 0.68150 0.68857 0.69373 0.69682 0.69976 0.70243 0.70462 0.70797 0.70855 0.71341 0.71748 0.72177 0.72524 0.72846 0.73190 0.73786 0.74221 0.74530 0.74797 0.75240 0.75548 0.75777 0.76487 0.76504 0.76925 0.77502 0.77788 0.78565 0.78860 0.79206 0.80035 0.80693 0.80955 0.81668 0.81944 0.82428 0.83219 0.83433 0.83662 0.84417 0.84627 0.84834 0.85524 0.85945 0.86692 0.87196 0.88067 0.88489 0.89099 0.89994 0.90039 0.90958 0.91984 0.92447 0.92869 0.93107 0.93801 0.94624 0.94877 0.95882 0.96046 0.96661 0.97078 0.97517 0.97685 0.98537 0.98962 0.99996 1.01108 1.01707 1.02217 1.03491 1.03723 1.04601 1.04937 1.06214 1.06566 1.07272 1.07522 1.08056 1.08385 1.09280 1.09743 1.10599 1.10886 1.11229 1.11878 1.13093 1.13378 1.14165 1.15236 1.16056 1.16736 1.18192 1.18898 1.19558 1.20228 1.21367 1.22299 1.22857 1.24977 1.26342 1.27237 1.28277 1.28793 1.30321 1.30901 1.31553 1.32337 1.33736 1.35391 1.35802 1.36522 1.37617 1.37656 1.38288 1.39709 1.40043 1.40779 1.42388 1.42595 1.44259 1.44460 1.45439 1.46332 1.47216 1.47624 1.48122 1.48966 1.49386 1.50512 1.51402 1.51504 1.52081 1.52371 1.52733 1.53070 1.53560 1.54176 1.54759 1.55576 1.56052 1.56829 1.56927 1.57493 1.58051 1.58103 1.58695 1.59233 1.59644 1.60027 1.60264 1.61614 1.62302 1.62796 1.63960 1.64330 1.65503 1.65600 1.66366 1.67036 1.67872 1.68206 1.68539 1.69251 1.69798 1.70073 1.70857 1.71528 1.71977 1.72368 1.72599 1.73475 1.74190 1.75004 1.75490 1.76227 1.77434 1.77885 1.78646 1.79369 1.79895 1.80142 1.80379 1.82481 1.83009 1.83122 1.84021 1.84165 1.85207 1.86629 1.88182 1.88832 1.89396 1.90605 1.91021 1.91314 1.92111 1.93052 1.93593 1.93741 1.94645 1.94899 1.95182 1.96166 1.96871 1.97277 1.97857 1.98537 1.99061 1.99983 2.00398 2.01122 2.01852 2.02646 2.03537 2.03839 2.04118 2.04556 2.06785 2.06875 2.07765 2.08618 2.09422 2.09983 2.10072 2.10414 2.11402 2.12228 2.12945 2.13367 2.13534 2.15294 2.17430 2.18428 2.18637 2.19849 2.21463 2.22098 2.24992 2.25303 2.26973 2.27360 2.29083 2.29639 2.30232 2.32738 2.33930 2.35078 2.35606 2.36709 2.40042 2.40982 2.41471 2.42206 2.43573 2.43747 2.44264 2.45303 2.45541 2.48314 2.48877 2.51091 2.51523 2.52532 2.52850 2.53545 2.54720 2.56277 2.57637 2.58575 2.61117 2.63053 2.64190 2.65071 2.65750 2.66432 2.67366 2.68513 2.69907 2.70685 2.71699 2.72330 2.72469 2.73366 2.74096 2.75622 2.76053 2.76537 2.76608 2.77853 2.78179 2.78525 2.78668 2.79126 2.79612 2.80316 2.80920 2.81901 2.82590 2.83178 2.83651 2.84445 2.84929 2.85525 2.85941 2.86506 2.86901 2.88153 2.89024 2.89927 2.91280 2.91565 2.92178 2.93595 2.94470 2.94587 2.95073 2.95808 2.96440 2.97469 2.98431 2.98756 3.00072 3.00875 3.01663 3.02739 3.06081 3.08316 3.09008 3.09327 3.10784 3.11700 3.12698 3.13474 3.14270 3.16103 3.17989 3.18406 3.19687 3.22024 3.22094 3.24497 3.25384 3.26884 3.28857 3.30933 3.31524 3.34113 3.35361 3.37692 3.38449 3.39782 3.40927 3.43478 3.46023 3.47278 3.53360 3.54722 3.55388 3.56346 3.60922 3.62161 3.64090 3.66023 3.67756 3.69920 3.70144 3.72088 3.73685 3.73916 3.74087 3.75165 3.76471 3.77458 3.78311 3.79905 3.81338 3.83226 3.84046 3.86031 3.90179 3.91741 3.93602 3.94981 3.99497 4.01664 4.02765 4.02981 4.03977 4.04341 4.10297 4.10597 4.13628 4.13953 4.15615 4.15907 4.18598 4.19165 4.19636 4.21314 4.22302 4.28000 4.33660 4.37900 4.56458 4.60490 4.66456 4.72787 4.85329 4.86924 4.94845 4.97787 5.10729 5.14726 5.18377 5.24911 5.46118 5.46723 5.68292 5.89526 5.93555 6.33655 6.37978 6.40136 6.41257 6.43984 6.48328 6.51189 6.77014 6.81850 9.83160 23.54298 23.62166 23.63760 23.67726 23.80344 23.83126 23.90374 23.91328 23.96696 23.97272 23.97557 23.98528 23.98973 24.00229 24.02107 24.09557 24.09715 24.11208 24.12084 24.20923 24.21995 24.24194 24.36579 25.95655 26.24587 26.79104 35.88477 49.94087 49.99414 50.02636 66.75983 66.78306 66.83037 215.83365 1-A. 1.7304 1.2249 -2.3518 3.1663 -178.3621 -218.7133 -166.4741 3.2484 -8.6846 17.4845 9.4878 -30.8635 21.3757 3.2484 -8.6846 17.4845 92.6496 140.7159 10.3555 -31.3644 7.7327 -55.5215 -14.7732 36.8101 -45.9357 10.5144 -8425.4457 -4951.3709 -3251.5577 175.3472 -153.0301 20.6068 226.6270 85.1298 66.1168 -2100.2829 -1904.4831 -1345.3489 155.7337 -41.2280 -13.6189 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 430.6992095999997 AuxInfo=1/0/N:9;10;11;12;13;14;15;16;17;18;19;20;21;22;23;24;25;26;27;28;29;30;31;1;2;3;4;8;5;6;7;32;33;34;35;36;37;38;39;40;41;42;43;44;45;46;47;48;49;50/rA:50nCl0F0F0F0O0O0O0N0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:-1.3015,2.2383,3.3942;-2.1174,-.6981,3.5326;.0448,-.5544,3.3955;-1.102,-1.3106,1.7114;1.3221,1.5743,-.1624;2.2355,3.6293,-.2888;.3613,-3.3877,-.6807;3.7671,1.0872,-2.4741;-1.2401,2.9206,-1.2036;-1.3548,2.6421,.2699;-.1367,3.4317,-.2668;-.9664,1.8033,-2.1921;-2.1481,4.0007,-1.7642;-1.2213,1.2891,.8423;1.2482,2.9234,-.2461;-1.2235,1.0098,2.1442;2.6288,.9561,-.112;-1.1013,-.3842,2.6893;2.4089,-.4818,.3075;3.2656,1.0453,-1.4377;1.5122,-1.2586,-.4302;3.0547,-1.0012,1.4243;1.2536,-2.5634,-.0291;2.7977,-2.3226,1.802;1.9015,-3.1048,1.0852;-.4046,-2.8457,-1.7157;.0728,-2.9042,-3.0203;-1.6453,-2.2915,-1.4182;-.7117,-2.3857,-4.0507;-2.422,-1.7772,-2.4559;-1.9559,-1.8194,-3.7705;-2.0289,3.2866,.8249;-.1555,4.4955,-.0664;-.2987,1.0331,-1.8134;-1.91,1.3275,-2.474;-.5151,2.2165,-3.0989;-1.6975,4.4567,-2.6509;-3.1088,3.5652,-2.0571;-2.3409,4.7902,-1.0335;-1.1268,.4469,.1684;3.2615,1.4846,.6037;1.0149,-.8369,-1.2929;3.7407,-.3878,1.9966;3.2914,-2.7393,2.6724;1.6829,-4.1247,1.3789;1.0452,-3.3416,-3.2142;-1.9874,-2.2677,-.3912;-.3479,-2.4241,-5.0714;-3.391,-1.3437,-2.2348;-2.5612,-1.4153,-4.5741; 0.000000 3.050774 0.000000 3.100309 2.171306 0.000000 3.932741 2.173160 2.173365 0.000000 4.469215 5.535929 4.338391 4.208376 0.000000 5.292388 7.230205 5.989657 6.288269 2.252374 0.000000 7.142981 5.579410 4.974323 3.489720 5.080645 7.273506 0.000000 7.839189 8.596161 7.141613 6.853937 3.399860 3.685614 5.902523 0.000000 4.648499 6.024562 5.905784 5.139975 3.075959 3.663148 6.529356 5.481552 0.000000 3.150705 4.731120 4.684700 4.214999 2.914334 3.765216 6.340984 6.015112 1.503944 0.000000 4.022886 5.950877 5.416104 5.228235 2.364100 2.380500 6.850046 5.060474 1.534995 1.547649 0.000000 5.613267 6.352467 6.148449 4.995250 3.067509 4.148394 5.567163 4.795620 1.516794 2.629912 2.654644 0.000000 5.516426 7.080575 7.223554 6.433004 4.527139 4.640031 7.877737 6.631813 1.518285 2.571426 2.571254 2.531415 0.000000 2.723898 3.462554 3.394212 2.743735 2.749535 4.324967 5.166894 5.993628 2.616810 1.475200 2.645209 3.088241 3.873635 0.000000 4.496923 6.222610 5.177355 5.223295 1.353778 1.214395 6.387946 3.831526 2.666129 2.668545 1.475348 3.153763 3.872880 3.155047 0.000000 1.754319 2.375613 2.370957 2.363615 3.481294 4.974482 5.461741 6.800078 3.854709 2.488894 3.585981 4.415844 5.007499 1.331528 3.935084 0.000000 5.420776 6.208444 4.610947 4.730926 1.446423 2.707781 4.932847 2.625381 4.474293 4.342584 3.714920 4.239140 5.900639 3.980582 2.407217 4.464710 0.000000 2.722996 1.357204 1.356916 1.347039 4.223860 6.009257 4.745248 7.247551 5.108410 3.882898 4.922411 5.350915 6.336938 2.495196 5.007748 1.501867 4.853551 0.000000 5.540184 5.561892 3.889711 3.870990 2.372601 4.157683 3.689651 3.470419 5.212923 4.891412 4.703710 4.781454 6.719355 4.074368 3.639948 4.335073 1.513823 4.243076 0.000000 6.754923 7.531216 6.024334 5.877385 2.383946 3.009636 5.353445 1.152119 4.885945 5.178222 4.317541 4.364994 6.176384 5.038872 3.002836 5.743128 1.473456 6.176202 2.472212 0.000000 5.896761 5.402938 4.157600 3.379900 2.851851 4.943117 2.433173 3.842466 5.063490 4.891426 4.974360 4.315424 6.544978 3.947448 4.194409 4.388389 2.500540 4.162508 1.397055 3.065518 0.000000 5.775112 5.593462 3.625546 4.178126 3.486116 5.004763 4.169031 4.479630 6.382174 5.835336 5.718026 6.092101 7.890145 4.885595 4.632190 4.781850 2.524422 4.387822 1.390774 3.524829 2.425903 0.000000 6.426855 5.246761 4.150365 3.185615 4.140416 6.275423 1.378506 5.061861 6.137801 5.830230 6.158790 5.354939 7.594027 4.661189 5.491159 4.860860 3.779498 4.205266 2.404409 4.365232 1.389369 2.792265 0.000000 6.335681 5.458172 3.639257 4.029913 4.606732 6.333438 3.637866 5.554424 7.268309 6.651285 6.782501 6.866177 8.784167 5.487986 5.840967 5.233801 3.800194 4.443698 2.402776 4.696573 2.787001 1.398112 2.407256 0.000000 6.643732 5.285135 3.910143 3.554171 4.877042 6.880884 2.360187 5.807028 7.170261 6.655457 6.979029 6.561571 8.660504 5.395995 6.207929 5.274200 4.295626 4.357853 2.782505 5.044717 2.419981 2.422773 1.397965 1.388803 0.000000 7.263763 5.923647 5.619296 3.819393 4.993031 7.136616 1.396950 5.783221 5.848975 5.912870 6.447974 4.706967 7.065039 4.930179 6.178531 5.516755 5.121189 5.093932 4.194892 5.356076 2.800962 5.022797 2.382006 4.785605 3.637263 0.000000 8.335458 7.252829 6.832672 5.129211 5.457589 7.404389 2.406356 5.466025 6.241196 6.604977 6.911517 4.891420 7.361200 5.846199 6.560427 6.608513 5.467471 6.350473 4.732869 5.319538 3.389466 5.680507 3.233870 5.569363 4.498805 1.390457 0.000000 6.617884 5.222248 5.389480 3.324436 5.032584 7.168793 2.402577 6.467182 5.232200 5.222531 6.029599 4.222173 6.321659 4.255593 6.077961 4.875201 5.524573 4.561315 4.763402 5.937317 3.465997 5.642290 3.226109 5.487366 4.416816 1.391081 2.427757 0.000000 8.783793 7.894884 7.705316 5.874497 5.910674 7.682259 3.675839 5.882631 6.044977 6.660343 6.963461 4.589786 6.933735 6.140412 6.819259 7.082945 6.151351 7.041673 5.688279 5.866665 4.395850 6.788084 4.479633 6.824445 5.807100 2.399619 1.394949 2.794706 0.000000 7.183523 6.092528 6.466830 4.396193 5.523642 7.457745 3.673146 6.819770 5.003411 5.300873 6.094802 3.873978 5.825533 4.660636 6.359951 5.510429 6.202812 5.491639 5.714191 6.430517 4.455363 6.756682 4.474144 6.758121 5.744045 2.399928 2.795106 1.394450 2.416351 0.000000 8.259875 7.390394 7.546867 5.571289 5.939733 7.705682 4.168439 6.548350 5.437706 6.049074 6.569525 4.073526 6.159139 5.610686 6.721716 6.597315 6.488994 6.672288 6.121332 6.396250 4.847641 7.263743 4.985270 7.341823 6.333170 2.771695 2.419752 2.419202 1.395462 1.395412 0.000000 2.868696 4.818459 5.065767 4.772804 3.890471 4.420627 7.247508 7.022345 2.206931 1.085164 2.189262 3.525829 2.688312 2.154655 3.466669 2.751898 5.291764 4.220424 5.844820 6.178463 5.896899 6.677409 6.762177 7.464170 7.507657 6.833582 7.584748 6.024417 7.594775 6.046473 6.869759 0.000000 4.287600 6.616211 6.125844 6.145499 3.275059 2.552758 7.923950 5.727161 2.224814 2.232996 1.082687 3.524848 2.664118 3.498939 2.115175 4.263431 4.503547 5.683300 5.611498 5.048551 6.001923 6.537713 7.198275 7.661497 7.957436 7.528288 7.970773 7.078823 7.970836 7.084686 7.539170 2.401028 0.000000 5.438491 5.906235 5.456274 4.308415 2.376067 3.935329 4.611027 4.119455 2.195666 2.836339 2.858596 1.087434 3.497035 2.823027 2.902193 4.064292 3.386874 4.788254 3.758185 3.584026 3.231747 5.085928 4.304431 5.824007 5.510344 3.881433 4.134812 3.608611 4.106538 3.580295 3.835730 3.877154 3.880847 0.000000 5.969550 6.342320 6.466403 5.013008 3.981286 5.220910 5.532419 5.682092 2.144923 3.092838 3.527567 1.093647 2.776043 3.387264 4.181422 4.679754 5.130040 5.499477 5.446347 5.285775 4.751434 6.728158 5.579000 7.332757 6.843947 4.500757 4.704993 3.779109 4.208249 3.146654 3.403774 3.838597 4.348664 1.766138 0.000000 6.540543 7.418773 7.083005 5.993684 3.522886 4.178297 6.166284 4.472451 2.147903 3.497861 3.104901 1.093892 2.762428 4.109952 3.427402 5.426589 4.516030 6.372675 5.237765 4.292399 4.827868 6.599799 5.949803 7.456343 7.187656 5.248986 5.154993 4.942085 4.703721 4.472053 4.337677 4.339588 3.810373 1.760668 1.768159 0.000000 6.451419 8.061226 8.044007 7.255790 4.859932 4.661787 8.345973 6.422331 2.159542 3.455595 3.028301 2.790310 1.094195 4.739503 4.100086 5.924391 6.116973 7.232448 7.071290 6.143384 6.920867 8.305436 8.053912 9.273299 9.169878 7.474744 7.579831 6.860060 7.053359 6.278884 6.380414 3.682331 3.009788 3.792041 3.141422 2.572382 0.000000 5.894355 7.099534 7.526490 6.480963 5.214082 5.629569 7.891742 7.320649 2.153153 3.056710 3.472210 2.777161 1.094717 4.141238 4.761791 5.266428 6.596295 6.492867 7.239782 6.882285 6.875304 8.423895 7.791292 9.189445 8.914342 6.966315 7.273510 6.070503 6.718181 5.401118 5.767049 3.090233 3.681048 3.790512 2.572655 3.103444 1.771738 0.000000 5.215075 7.142871 7.339817 6.803641 4.951614 4.779671 8.620006 7.286596 2.176247 2.699146 2.700336 3.486176 1.092874 4.126731 4.121417 5.063353 6.344089 6.493940 7.221656 6.754220 7.197101 8.288204 8.246533 9.221560 9.209603 7.907060 8.305239 7.126143 7.953032 6.720123 7.164185 2.410743 2.407910 4.346822 3.775056 3.771305 1.772267 1.771415 0.000000 3.694006 3.689188 3.576310 2.338914 2.716161 4.652018 4.199952 5.598435 2.830932 2.209402 3.174657 2.727170 4.172154 1.082779 3.456234 2.056765 3.800287 2.654577 3.658250 4.714914 3.198651 4.599954 3.842847 5.073504 4.756587 3.861644 4.778742 3.206990 5.098621 3.675696 4.619296 3.051025 4.170065 2.226351 2.893257 3.765710 4.934828 4.313363 4.667212 0.000000 5.401540 6.501906 4.722155 5.299145 2.087193 2.539524 5.813765 3.144285 5.058978 4.770998 4.012127 5.078777 6.418824 4.493485 2.616533 4.765963 1.091743 5.184234 2.163606 2.088153 3.413809 2.625914 4.562702 4.018164 4.810769 6.129537 6.524036 6.513383 7.240744 7.232059 7.567778 5.593263 4.603361 4.326841 6.020081 5.339296 6.634611 7.210425 6.707823 4.530314 0.000000 6.065587 5.754597 4.796066 3.705647 2.680665 4.737552 2.703453 3.559725 4.383090 4.490165 4.538660 3.421178 5.798965 3.752262 3.910245 4.498295 2.685840 4.532240 2.151886 2.937538 1.081375 3.401658 2.152959 3.868345 3.403617 2.495829 2.854029 3.034555 3.603495 3.748202 3.991173 5.545484 5.595360 2.343720 3.825470 3.863389 6.101086 6.080077 6.556855 2.893119 3.746131 0.000000 5.854404 6.064029 3.955269 4.938144 3.789584 4.860648 5.252416 4.707874 6.781993 6.174701 5.894574 6.671117 8.251056 5.363446 4.712446 5.159364 2.736535 4.891275 2.153077 3.751608 3.407964 1.083707 3.875876 2.161179 3.405211 6.083258 6.704909 6.655440 7.770789 7.728810 8.231686 6.939919 6.578991 5.731673 7.406691 7.131553 8.639618 8.886798 8.542804 5.266117 2.382358 4.295670 0.000000 6.811186 5.844721 3.979528 4.718771 5.524590 7.102262 4.499933 6.430798 8.221424 7.504609 7.646657 7.901113 9.731268 6.319952 6.690218 5.892321 4.674120 4.984153 3.386437 5.587251 3.870969 2.152785 3.388444 1.083985 2.141229 5.738202 6.541704 6.426920 7.832596 7.737457 8.360120 8.248023 8.468985 6.873264 8.371286 8.506324 10.247384 10.152717 10.106904 5.995193 4.703324 4.952314 2.487562 0.000000 7.311387 5.551741 4.415578 3.973096 5.914765 7.950538 2.555729 6.808357 8.052913 7.499874 7.944699 7.410268 9.517182 6.166988 7.246126 5.949521 5.378828 4.843539 3.866020 6.096547 3.393638 3.411771 2.145771 2.160880 1.083689 3.945843 4.840968 4.718231 6.183708 6.088242 6.713540 8.307344 8.931759 6.381222 7.581559 8.068040 10.065152 9.690292 10.074042 5.500848 5.878538 4.288910 4.310557 2.485971 0.000000 8.961781 7.906237 7.242778 5.744315 5.792771 7.652997 2.624516 5.250782 6.962813 7.328361 7.480756 5.617925 8.136884 6.560165 6.935545 7.266014 5.531867 6.942980 4.737173 5.227942 3.508203 5.570590 3.285395 5.410308 4.390183 2.143227 1.083776 3.401084 2.167994 3.878666 3.410788 8.348498 8.530582 4.786043 5.575089 5.774195 8.285790 8.142453 9.074561 5.523775 6.540687 3.156921 6.568370 6.329324 4.702780 0.000000 5.924866 4.228073 4.626576 2.474070 5.076067 7.253826 2.618195 6.979128 5.304433 4.994407 5.993635 4.567139 6.418990 3.841783 6.118696 4.213600 5.637397 3.717878 4.796410 6.298064 3.642450 5.506681 3.274630 5.264080 4.243101 2.143273 3.400241 1.082744 3.877250 2.166203 3.409042 5.686060 7.014432 3.971087 4.155679 5.441301 7.099887 6.168966 7.095901 2.902237 6.528499 3.445934 6.484421 6.121626 4.478051 4.280111 0.000000 9.711503 8.951987 8.679793 6.914840 6.547800 8.135723 4.550748 6.000607 6.657452 7.430359 7.577498 5.151984 7.446863 7.037197 7.377427 8.038877 6.699362 8.059615 6.348606 6.188469 5.134053 7.469705 5.292350 7.559626 6.589844 3.382589 2.148124 3.879007 1.084304 3.400192 2.154950 8.378750 8.542098 4.750652 4.822942 5.045211 7.417949 7.251251 8.504251 6.025291 7.778940 4.318952 8.415452 8.562138 6.972963 2.496354 4.961523 0.000000 6.991567 5.941520 6.642960 4.562151 5.917979 7.757189 4.546788 7.563319 4.886052 5.128958 6.104672 3.972831 5.507091 4.594266 6.609447 5.423358 6.784744 5.514594 6.390998 7.117038 5.225433 7.419826 5.284478 7.453446 6.491066 3.382933 3.879417 2.147668 3.400261 1.084318 2.155000 5.714582 7.018958 3.922819 3.063605 4.657476 6.056848 4.920210 6.337980 3.756051 7.766089 4.533860 8.347463 8.407323 6.821835 4.962948 2.494549 4.298139 0.000000 8.856029 8.150410 8.428986 6.453508 6.594011 8.174361 5.252602 7.121775 5.648540 6.432954 6.922747 4.310029 6.115503 6.200508 7.215799 7.266806 7.243629 7.480107 7.028774 7.059970 5.812834 8.227485 6.043872 8.378271 7.402505 3.855863 3.401323 3.400879 2.153235 2.153372 1.084171 7.179156 7.813103 4.328400 3.515330 4.421912 6.239064 5.607241 7.147919 5.293039 8.314060 4.887694 9.162140 9.408402 7.796875 4.308878 4.307232 2.482723 2.483091 0.000000 C23H19ClF3NO3 C1 1 C1 1 C1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 430.6992095999997 AuxInfo=1/0/N:9;10;11;12;13;14;15;16;17;18;19;20;21;22;23;24;25;26;27;28;29;30;31;1;2;3;4;8;5;6;7;32;33;34;35;36;37;38;39;40;41;42;43;44;45;46;47;48;49;50/rA:50nCl0F0F0F0O0O0O0N0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:3.8043,1.5294,-.9997;1.5876,3.1291,-2.3542;1.3013,3.1758,-.2023;-.0677,2.0451,-1.4556;.9119,-.8022,1.4845;2.3948,-1.9086,2.7689;-3.3092,1.3175,-.3871;-1.1266,-2.2063,3.8152;1.8409,-2.6778,-.7695;2.4355,-1.3079,-.9478;2.6059,-2.0459,.4018;.3387,-2.8762,-.7017;2.5616,-3.8261,-1.4531;1.6146,-.0889,-1.0762;1.9878,-1.6035,1.6662;2.0975,1.1502,-1.1427;.2314,-.2845,2.6512;1.2297,2.3671,-1.2896;-.6889,.813,2.1611;-.5175,-1.3717,3.3054;-1.5952,.513,1.1412;-.6039,2.0975,2.6876;-2.4103,1.5196,.6383;-1.4456,3.0934,2.1834;-2.3449,2.8138,1.1627;-3.3125,.0763,-1.0281;-4.1473,-.9317,-.5584;-2.5045,-.1087,-2.1452;-4.1647,-2.1585,-1.222;-2.5305,-1.3385,-2.8019;-3.3556,-2.3648,-2.3401;3.3723,-1.2632,-1.4937;3.594,-2.4504,.5815;-.1898,-2.0727,-.1941;-.0632,-2.9612,-1.7152;.114,-3.8069,-.1726;2.3831,-4.763,-.9168;2.1894,-3.9439,-2.4758;3.6406,-3.659,-1.5007;.5383,-.1912,-1.1356;.9615,.1011,3.3655;-1.6443,-.49,.7398;.1095,2.3234,3.4715;-1.3876,4.0998,2.5821;-2.9904,3.5822,.7536;-4.7616,-.7522,.3162;-1.8709,.7005,-2.486;-4.8102,-2.9522,-.8626;-1.905,-1.4927,-3.6741;-3.3704,-3.3208,-2.8514; 0.1519041 0.1288752 0.1159066 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= 829 829 829 829 829 MxSgAt= 50 MxSgA2= 50. NPDir=0 NMtPBC= 1 NCelOv= 1 NCel= 1 NClECP= 1 NCelD= 1 NCelK= 1 NCelE2= 1 NClLst= 1 CellRange= 0.0. One-electron integrals computed using PRISM. One-electron integral symmetry used in STVInt NBasis= 804 RedAO= T EigKep= 1.29D-06 NBF= 804 NBsUse= 800 1.00D-06 EigRej= 9.40D-07 NBFU= 800 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= 829 829 829 829 829 MxSgAt= 50 MxSgA2= 50. 1 6.80788701e-01 4.81912422e-01 -9.25262108e-01 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 50 17 9 9 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 6 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0.002913560 0.007625702 0.012416959 -0.014378048 -0.003923203 0.010484915 0.011954962 -0.008441530 0.006816390 -0.001897038 -0.006895997 -0.012701492 -0.011045373 -0.005541069 0.003809258 0.013655791 0.008534071 -0.004498263 -0.004762691 -0.008125342 0.008107825 0.000997685 -0.000381920 -0.007981764 -0.003381251 0.001250603 -0.005269185 -0.006994528 -0.003208491 0.004927795 0.008143806 0.005181762 0.002613953 0.000344758 -0.002932046 -0.003455824 -0.001900583 0.003834309 -0.000235753 -0.001842421 -0.000332896 -0.003723243 -0.009549441 0.005546195 0.004426028 -0.001268997 -0.001081722 -0.005737028 0.010417846 -0.006467065 -0.002201756 0.003313634 0.011382393 -0.005999488 0.000279010 0.000968667 -0.000068750 0.000131620 0.000259766 0.002746148 -0.003276857 0.001865386 -0.004264136 0.004067410 0.002941767 0.002445313 0.006254023 0.003745203 0.001854436 0.002722313 -0.001660140 0.003543398 -0.000119620 -0.003980549 0.003063674 -0.003152903 0.001204454 -0.006446337 0.005394942 -0.000713921 -0.000747312 -0.003741364 -0.000595223 0.003485877 0.003055256 -0.000052942 -0.003987301 -0.005168129 0.000398370 -0.000495361 -0.002059923 -0.000103852 -0.004602446 0.000283707 -0.000390355 0.000365711 0.001230664 -0.000665840 -0.000805916 0.001449913 -0.000740022 0.001588599 -0.002201202 -0.000038868 -0.000162724 0.000904753 0.001283343 -0.001110281 0.001260510 0.000659912 -0.001637194 -0.001998967 -0.000940443 -0.000657049 0.000282390 0.000585918 0.001697286 0.000902982 -0.001344175 0.000720224 -0.001707628 0.001608413 -0.000078485 0.000129653 -0.000654535 0.000609590 0.000736421 0.000920144 0.000311329 0.000844168 -0.000494331 0.001278219 -0.001220488 -0.000922923 -0.000722703 0.000281551 0.000435072 0.001570282 0.000873904 0.000388551 0.001631065 0.001007152 -0.000026563 -0.001328591 -0.001564199 -0.000003407 -0.000150991 -0.000602733 0.000039369 -0.001444902 0.014378048 0.004401760 (Enter /usr/local/gaussian/gaussian16/g16/l716.exe) Closed 1 1 1 -1928.50145534666 -1928.50148646762 -0.000031120964 -1928.50148620265 0.000000264975 -1928.50148699610 -0.000000793451 -1928.50148701179 -0.000000015692 -1928.50148702694 -0.000000015150 -1928.50148702769 -0.000000000751 -1928.50148702756 0.000000000127 -1928.50148702761 -0.000000000051 -1928.50148702741 0.000000000200 -1928.50148703 10 1.921695282742e+03 -1.142400671428e+04 4.125530009093e+03 Using DIIS extrapolation, IDIIS= 1040. NGot= 1415577600 LenX= 1414167521 LenY= 1413469461 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) PT550597.100S Wed Oct 9 13:09:12 2024 Mulliken charges: 1 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 50 Cl F F 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 C H H H H H H H H H H H H H H H H H H H 0.390667 -0.062643 -0.020717 -0.069576 0.212265 -0.296641 -0.013022 -0.316246 -0.273339 -0.077978 -0.143923 -0.644445 -0.188766 -0.720698 -0.126234 0.357441 0.511038 0.031578 0.572225 -0.298044 -0.149671 -0.218074 -0.947203 -0.084512 -0.109847 -0.083671 0.159966 -0.109161 -0.166990 -0.257619 -0.219050 0.204261 0.208377 0.146080 0.172784 0.175603 0.168889 0.168159 0.159213 0.208861 0.249984 0.197276 0.157687 0.165451 0.162535 0.171685 0.164941 0.161960 0.161297 0.157849 -0.00000 -101.57462 -24.72975 -24.72438 -24.72346 -19.19287 -19.17172 -19.13176 -14.33433 -10.44864 -10.32568 -10.29230 -10.25914 -10.24993 -10.24096 -10.23320 -10.21523 -10.21223 -10.20705 -10.20633 -10.20567 -10.18567 -10.18458 -10.18332 -10.18321 -10.18290 -10.18216 -10.18209 -10.18194 -10.17935 -10.16375 -10.16271 -9.48912 -7.25383 -7.24389 -7.24353 -1.33252 -1.24666 -1.24050 -1.13465 -1.08925 -1.04523 -0.93460 -0.91251 -0.89341 -0.88035 -0.86467 -0.81715 -0.79797 -0.77139 -0.75956 -0.75511 -0.74950 -0.73839 -0.72708 -0.69736 -0.67875 -0.64957 -0.64354 -0.62432 -0.62298 -0.61505 -0.61074 -0.60830 -0.59152 -0.56302 -0.55935 -0.55244 -0.54925 -0.51891 -0.51061 -0.50625 -0.49614 -0.49006 -0.48771 -0.48390 -0.48170 -0.47884 -0.46921 -0.46069 -0.45404 -0.45335 -0.44990 -0.44675 -0.44326 -0.44012 -0.43208 -0.42902 -0.42530 -0.42290 -0.41626 -0.40869 -0.40256 -0.39615 -0.39489 -0.38924 -0.38551 -0.38348 -0.37952 -0.37490 -0.37292 -0.36793 -0.36203 -0.35694 -0.35246 -0.34806 -0.33860 -0.33804 -0.33768 -0.33060 -0.30960 -0.29095 -0.27171 -0.26905 -0.26543 -0.25860 -0.24276 -0.04988 -0.04469 -0.02288 -0.02094 -0.01773 -0.01695 -0.00657 0.00170 0.00299 0.00953 0.01567 0.01623 0.01984 0.02662 0.03108 0.03249 0.03471 0.03729 0.04385 0.04860 0.04998 0.05063 0.05499 0.05911 0.06003 0.06561 0.06959 0.07006 0.07501 0.07820 0.07990 0.08324 0.08737 0.08903 0.09300 0.09884 0.09948 0.10132 0.10340 0.10620 0.10923 0.11348 0.11475 0.11894 0.12048 0.12169 0.12349 0.12820 0.12935 0.13411 0.13496 0.13745 0.13901 0.14022 0.14200 0.14346 0.14715 0.15192 0.15543 0.15724 0.15783 0.16046 0.16275 0.16455 0.16529 0.16980 0.17392 0.17527 0.17740 0.18033 0.18206 0.18385 0.18667 0.18794 0.18999 0.19248 0.19705 0.19826 0.20131 0.20143 0.20431 0.20655 0.20952 0.21061 0.21184 0.21325 0.21606 0.21651 0.21874 0.22089 0.22477 0.22773 0.22857 0.22953 0.23120 0.23387 0.23543 0.23630 0.24123 0.24369 0.24398 0.24606 0.24749 0.25126 0.25197 0.25470 0.25552 0.25871 0.26164 0.26184 0.26440 0.26706 0.26777 0.26921 0.27237 0.27429 0.27923 0.28049 0.28295 0.28515 0.28928 0.29144 0.29422 0.29690 0.29856 0.30003 0.30648 0.30929 0.31202 0.31388 0.31870 0.32237 0.32345 0.32476 0.33067 0.33436 0.33518 0.33820 0.34225 0.34603 0.34648 0.35086 0.35196 0.35440 0.35889 0.36346 0.36706 0.37149 0.37376 0.37672 0.37996 0.38435 0.38706 0.39085 0.39329 0.39553 0.40164 0.40606 0.40820 0.40972 0.41719 0.42078 0.42600 0.43622 0.43705 0.44146 0.44209 0.45271 0.45528 0.46087 0.46515 0.46954 0.47566 0.48220 0.48636 0.49283 0.49796 0.50409 0.50522 0.51102 0.51587 0.52200 0.53108 0.53866 0.54307 0.55154 0.55447 0.55881 0.56245 0.56533 0.57160 0.57333 0.57894 0.58197 0.58618 0.58976 0.59578 0.60292 0.60453 0.61128 0.61750 0.62012 0.62253 0.62801 0.63323 0.63771 0.63836 0.64815 0.65346 0.65441 0.65524 0.65773 0.66769 0.66881 0.67304 0.67688 0.67948 0.68447 0.68774 0.68891 0.69047 0.69655 0.70196 0.70353 0.70711 0.70749 0.71405 0.71522 0.71718 0.72238 0.72633 0.73252 0.73705 0.74175 0.74403 0.74894 0.75166 0.75523 0.76002 0.76682 0.76973 0.77423 0.77983 0.78155 0.78532 0.78826 0.79249 0.79903 0.80163 0.81024 0.81197 0.81564 0.82255 0.82811 0.83208 0.83640 0.83930 0.84618 0.84845 0.85460 0.85778 0.86389 0.86951 0.87773 0.87902 0.88483 0.88987 0.89616 0.90367 0.91345 0.91668 0.91804 0.91974 0.92339 0.94002 0.94460 0.95375 0.95874 0.96613 0.96806 0.97589 0.99035 0.99237 0.99589 1.00442 1.01114 1.01747 1.02146 1.02651 1.03656 1.03852 1.04175 1.04847 1.06184 1.06208 1.07100 1.07597 1.07922 1.08440 1.09073 1.10421 1.10741 1.11271 1.12070 1.12828 1.14234 1.14601 1.15601 1.16304 1.17575 1.18103 1.18503 1.19432 1.20448 1.21065 1.21699 1.23532 1.23673 1.25283 1.25849 1.26110 1.27666 1.29143 1.30072 1.31426 1.31508 1.32140 1.33895 1.34821 1.36643 1.37320 1.37536 1.38239 1.38533 1.39966 1.40644 1.40993 1.42788 1.43259 1.44285 1.44562 1.45234 1.46480 1.47331 1.47660 1.47901 1.48620 1.49295 1.49779 1.51004 1.51683 1.52197 1.52353 1.52484 1.53259 1.53841 1.54365 1.55138 1.55186 1.55826 1.56586 1.56958 1.57498 1.57781 1.58276 1.58616 1.58993 1.59855 1.60134 1.60697 1.61340 1.61923 1.62142 1.63808 1.64889 1.65328 1.65590 1.66147 1.66780 1.67307 1.67720 1.68066 1.68172 1.68932 1.69533 1.70493 1.70853 1.71518 1.72551 1.73444 1.73643 1.75219 1.75652 1.75840 1.76382 1.76955 1.77771 1.78914 1.79178 1.79748 1.80883 1.81432 1.81849 1.82640 1.83781 1.84251 1.85257 1.85802 1.87249 1.87602 1.88421 1.89051 1.89680 1.90373 1.90845 1.92361 1.92427 1.93131 1.93555 1.93912 1.94316 1.95277 1.96165 1.96600 1.97358 1.97897 1.98622 1.99318 1.99791 2.00739 2.00907 2.01813 2.02517 2.03086 2.03532 2.04337 2.04902 2.05609 2.06462 2.07811 2.08380 2.08631 2.10006 2.10337 2.10964 2.11680 2.11745 2.12417 2.13200 2.14513 2.14944 2.16665 2.18225 2.19530 2.19729 2.21508 2.23101 2.23449 2.24194 2.26208 2.27104 2.28908 2.29405 2.29966 2.32432 2.33492 2.34190 2.35344 2.36419 2.39169 2.41264 2.41822 2.42149 2.43062 2.44387 2.45058 2.46330 2.46636 2.48188 2.48475 2.49601 2.50791 2.51007 2.52462 2.53185 2.55187 2.56145 2.57889 2.58470 2.61524 2.62011 2.62857 2.65107 2.65701 2.66093 2.66525 2.67821 2.69187 2.71686 2.71746 2.72663 2.73447 2.74480 2.75064 2.75442 2.76406 2.76910 2.77104 2.77681 2.78094 2.78936 2.79085 2.79929 2.80029 2.80202 2.81250 2.81701 2.82342 2.82549 2.83337 2.84337 2.84602 2.85296 2.85397 2.87559 2.88304 2.89078 2.89402 2.89982 2.90334 2.90778 2.92202 2.93085 2.93673 2.94163 2.95224 2.95598 2.96754 2.97920 2.98185 2.98495 2.99782 3.01213 3.02773 3.03436 3.04666 3.06921 3.07878 3.09086 3.11132 3.11675 3.12279 3.13218 3.13832 3.15065 3.16335 3.16962 3.18333 3.19420 3.20198 3.22206 3.22985 3.25218 3.26820 3.29074 3.33389 3.33781 3.35259 3.35861 3.37812 3.38235 3.40578 3.43182 3.44458 3.45043 3.53307 3.54318 3.55096 3.55809 3.58231 3.60175 3.63490 3.63876 3.66609 3.67857 3.69864 3.70618 3.71691 3.73826 3.73951 3.74347 3.76330 3.77219 3.78365 3.79603 3.80955 3.82584 3.84738 3.86073 3.88946 3.90331 3.91955 3.95084 3.98902 4.00858 4.01547 4.02383 4.03377 4.03599 4.09885 4.10094 4.11303 4.13564 4.15195 4.15680 4.15892 4.17256 4.18482 4.19496 4.19887 4.26695 4.30894 4.37446 4.55470 4.57591 4.65568 4.70732 4.83806 4.85694 4.92379 4.96697 5.10459 5.14190 5.17252 5.23770 5.45461 5.47092 5.65087 5.88056 5.89147 6.32934 6.37838 6.38893 6.41289 6.43596 6.46903 6.50115 6.73334 6.81508 9.81469 23.52131 23.61867 23.64103 23.67762 23.79299 23.80752 23.87521 23.88517 23.94836 23.95702 23.96412 23.97732 23.98603 24.00300 24.02304 24.07700 24.07954 24.09205 24.09872 24.18387 24.19472 24.22051 24.34925 25.92319 26.21532 26.72440 35.87552 49.94134 49.99106 50.01551 66.75836 66.78209 66.83061 215.81477 1-A. Mulliken charges: 1 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 50 Cl F F 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 C H H H H H H H H H H H H H H H H H H H 0.468225 -0.071262 -0.036041 -0.053054 0.152121 -0.295151 -0.072456 -0.309408 -0.132380 -0.064027 -0.209958 -0.785036 -0.160748 -0.098268 -0.088724 -0.045057 0.264259 -0.149435 0.624935 -0.382370 -0.065180 -0.514847 -0.529383 -0.034626 -0.016936 -0.205962 -0.177868 0.063621 -0.145034 -0.118153 -0.188633 0.206936 0.208482 0.130688 0.176199 0.173388 0.172724 0.168218 0.160040 0.197174 0.250312 0.218614 0.155800 0.166766 0.161953 0.163368 0.178129 0.165197 0.163694 0.159155 -0.00000 3.15769181e-01 -5.74043987e-01 -1.95656973e+00 ./ancestor::cml:module[@dictRef='cc:finalization']/cml:molecule[@id='mol9999'] 0.8026 -1.4591 -4.9731 5.2445 -189.5996 -186.1706 -202.1603 -4.7819 -2.3517 35.2794 3.0439 6.4729 -9.5168 -4.7819 -2.3517 35.2794 57.5449 46.3928 -111.5217 -10.2941 -25.6017 -25.8602 26.2407 90.4404 -47.3992 5.3761 -6357.4802 -4647.2850 -4185.4646 128.9066 -187.9695 -64.2767 216.1631 66.3741 327.6891 -1781.5508 -1922.0928 -1585.9987 105.0969 21.4277 16.7055 (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A) (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A) (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A) (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(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 -1928.501487 4.248E-9 7.223E-6 -0.3873271,-0.023679,0.411006,-17.1144166,21.1512539,1.5529897 C01 [X(C23H19Cl1F3N1O3)] -2.0330784 0.1998015 -0.2899539 0.000000444 0.000002452 0.000004569 -0.000006726 -0.000002115 0.000004384 -0.000009367 0.000000143 -0.000009349 0.000000246 0.000003657 0.000007364 -0.000013469 0.000011471 0.000015173 -0.000005922 0.000000735 0.000004920 0.000006551 -0.000001167 0.000014109 -0.000003966 -0.000003378 0.000001781 0.000003835 0.000011232 -0.000003267 -0.000000640 -0.000023531 0.000017787 0.000002779 -0.000003458 -0.000030933 -0.000000171 0.000004596 0.000002697 -0.000001071 -0.000001696 0.000003668 -0.000006697 0.000021500 -0.000009033 0.000006399 -0.000001103 -0.000007580 -0.000006914 -0.000012370 0.000004117 0.000011992 -0.000008296 0.000004206 0.000022614 -0.000003465 -0.000003579 0.000015541 -0.000000805 0.000006058 0.000006862 0.000011067 -0.000003695 -0.000014350 -0.000021194 -0.000006465 -0.000009239 0.000011180 -0.000001820 -0.000010412 0.000010615 -0.000012908 -0.000006853 -0.000010660 0.000004776 0.000012979 0.000005244 0.000011286 -0.000004286 -0.000000084 -0.000015020 0.000001860 0.000001808 0.000003817 -0.000000202 -0.000001635 0.000002726 -0.000002208 0.000000955 -0.000000858 -0.000000573 0.000001396 0.000001026 0.000001030 -0.000002318 0.000000969 0.000004913 0.000003443 0.000000053 -0.000005698 -0.000000374 0.000002182 0.000002467 -0.000004190 0.000000933 0.000001171 -0.000001410 -0.000000100 0.000000058 -0.000001634 -0.000000414 -0.000001389 -0.000000017 -0.000001365 -0.000000069 -0.000000155 0.000001316 0.000002019 0.000000978 -0.000001383 0.000007849 0.000000902 0.000001012 0.000001694 -0.000004432 -0.000003155 0.000000329 0.000007760 -0.000005900 0.000000681 -0.000000852 -0.000002437 0.000000383 -0.000000032 -0.000000666 -0.000002119 0.000000157 -0.000001209 -0.000000773 -0.000001516 -0.000000030 0.000000406 -0.000000115 0.000000662 -0.000000279 0.000000215 0.000000799 -0.000000521 0.000000423 -0.000002057 -0.000001185 0.000000072 0.000000832 430.6992095999997 AuxInfo=1/0/N:9;10;11;12;13;14;15;16;17;18;19;20;21;22;23;24;25;26;27;28;29;30;31;1;2;3;4;8;5;6;7;32;33;34;35;36;37;38;39;40;41;42;43;44;45;46;47;48;49;50/rA:50nCl0F0F0F0O0O0O0N0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:-1.3015,2.2383,3.3942;-2.1174,-.6981,3.5326;.0448,-.5544,3.3955;-1.102,-1.3106,1.7114;1.3221,1.5743,-.1624;2.2355,3.6293,-.2888;.3613,-3.3877,-.6807;3.7671,1.0872,-2.4741;-1.2401,2.9206,-1.2036;-1.3548,2.6421,.2699;-.1367,3.4317,-.2668;-.9664,1.8033,-2.1921;-2.1481,4.0007,-1.7642;-1.2213,1.2891,.8423;1.2482,2.9234,-.2461;-1.2235,1.0098,2.1442;2.6288,.9561,-.112;-1.1013,-.3842,2.6893;2.4089,-.4818,.3075;3.2656,1.0453,-1.4377;1.5122,-1.2586,-.4302;3.0547,-1.0012,1.4243;1.2536,-2.5634,-.0291;2.7977,-2.3226,1.802;1.9015,-3.1048,1.0852;-.4046,-2.8457,-1.7157;.0728,-2.9042,-3.0203;-1.6453,-2.2915,-1.4182;-.7117,-2.3857,-4.0507;-2.422,-1.7772,-2.4559;-1.9559,-1.8194,-3.7705;-2.0289,3.2866,.8249;-.1555,4.4955,-.0664;-.2987,1.0331,-1.8134;-1.91,1.3275,-2.474;-.5151,2.2165,-3.0989;-1.6975,4.4567,-2.6509;-3.1088,3.5652,-2.0571;-2.3409,4.7902,-1.0335;-1.1268,.4469,.1684;3.2615,1.4846,.6037;1.0149,-.8369,-1.2929;3.7407,-.3878,1.9966;3.2914,-2.7393,2.6724;1.6829,-4.1247,1.3789;1.0452,-3.3416,-3.2142;-1.9874,-2.2677,-.3912;-.3479,-2.4241,-5.0714;-3.391,-1.3437,-2.2348;-2.5612,-1.4153,-4.5741; Gaussian 16 GINC-HAMILTON27 APULGAR Optimization CONF101 octanol EM64L-G16RevC.01 144 C1[X(C23H19ClF3NO3)] RB3LYP 6-311+G(d,p) Freq #P Geom=AllCheck Guess=TCheck SCRF=Check GenChk RB3LYP/6-311+G(d,p) Freq 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 430.6992095999997 AuxInfo=1/0/N:9;10;11;12;13;14;15;16;17;18;19;20;21;22;23;24;25;26;27;28;29;30;31;1;2;3;4;8;5;6;7;32;33;34;35;36;37;38;39;40;41;42;43;44;45;46;47;48;49;50/rA:50nCl0F0F0F0O0O0O0N0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:-1.3015,2.2383,3.3942;-2.1174,-.6981,3.5326;.0448,-.5544,3.3955;-1.102,-1.3106,1.7114;1.3221,1.5743,-.1624;2.2355,3.6293,-.2888;.3613,-3.3877,-.6807;3.7671,1.0872,-2.4741;-1.2401,2.9206,-1.2036;-1.3548,2.6421,.2699;-.1367,3.4317,-.2668;-.9664,1.8033,-2.1921;-2.1481,4.0007,-1.7642;-1.2213,1.2891,.8423;1.2482,2.9234,-.2461;-1.2235,1.0098,2.1442;2.6288,.9561,-.112;-1.1013,-.3842,2.6893;2.4089,-.4818,.3075;3.2656,1.0453,-1.4377;1.5122,-1.2586,-.4302;3.0547,-1.0012,1.4243;1.2536,-2.5634,-.0291;2.7977,-2.3226,1.802;1.9015,-3.1048,1.0852;-.4046,-2.8457,-1.7157;.0728,-2.9042,-3.0203;-1.6453,-2.2915,-1.4182;-.7117,-2.3857,-4.0507;-2.422,-1.7772,-2.4559;-1.9559,-1.8194,-3.7705;-2.0289,3.2866,.8249;-.1555,4.4955,-.0664;-.2987,1.0331,-1.8134;-1.91,1.3275,-2.474;-.5151,2.2165,-3.0989;-1.6975,4.4567,-2.6509;-3.1088,3.5652,-2.0571;-2.3409,4.7902,-1.0335;-1.1268,.4469,.1684;3.2615,1.4846,.6037;1.0149,-.8369,-1.2929;3.7407,-.3878,1.9966;3.2914,-2.7393,2.6724;1.6829,-4.1247,1.3789;1.0452,-3.3416,-3.2142;-1.9874,-2.2677,-.3912;-.3479,-2.4241,-5.0714;-3.391,-1.3437,-2.2348;-2.5612,-1.4153,-4.5741; Optimization CONF101 octanol Redundant internal coordinates found in file. (old form). 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 50 35 19 19 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 12 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 34.9688527 18.9984033 18.9984033 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 12.0000000 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 3 1 1 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 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 14.2400000 6.7500000 6.7500000 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 3.6000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 (Enter /usr/local/gaussian/gaussian16/g16/l101.exe) Structure from the checkpoint file: "opt-b3lyp-pople.chk" Berny optimization. R1 R2 R3 R4 R5 R6 R7 R8 R9 R10 R11 R12 R13 R14 R15 R16 R17 R18 R19 R20 R21 R22 R23 R24 R25 R26 R27 R28 R29 R30 R31 R32 R33 R34 R35 R36 R37 R38 R39 R40 R41 R42 R43 R44 R45 R46 R47 R48 R49 R50 R51 R52 1 2 3 4 5 5 6 7 7 8 9 9 9 9 10 10 10 11 11 12 12 12 13 13 13 14 14 16 17 17 17 19 19 21 21 22 22 23 24 24 25 26 26 27 27 28 28 29 29 30 30 31 16 18 18 18 15 17 15 23 26 20 10 11 12 13 11 14 32 15 33 34 35 36 37 38 39 16 40 18 19 20 41 21 22 23 42 24 43 25 25 44 45 27 28 29 46 30 47 31 48 31 49 50 1.7543 1.3572 1.3569 1.347 1.3538 1.4464 1.2144 1.3785 1.397 1.1521 1.5039 1.535 1.5168 1.5183 1.5476 1.4752 1.0852 1.4753 1.0827 1.0874 1.0936 1.0939 1.0942 1.0947 1.0929 1.3315 1.0828 1.5019 1.5138 1.4735 1.0917 1.3971 1.3908 1.3894 1.0814 1.3981 1.0837 1.398 1.3888 1.084 1.0837 1.3905 1.3911 1.3949 1.0838 1.3944 1.0827 1.3955 1.0843 1.3954 1.0843 1.0842 calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically A1 A2 A3 A4 A5 A6 A7 A8 A9 A10 A11 A12 A13 A14 A15 A16 A17 A18 A19 A20 A21 A22 A23 A24 A25 A26 A27 A28 A29 A30 A31 A32 A33 A34 A35 A36 A37 A38 A39 A40 A41 A42 A43 A44 A45 A46 A47 A48 A49 A50 A51 A52 A53 A54 A55 A56 A57 A58 A59 A60 A61 A62 A63 A64 A65 A66 A67 A68 A69 A70 A71 A72 A73 A74 A75 A76 A77 A78 A79 A80 A81 A82 A83 A84 A85 A86 15 23 10 10 11 11 12 9 9 11 11 14 9 9 10 10 15 9 9 9 34 34 35 9 9 9 37 37 38 10 10 16 5 5 6 1 1 14 5 5 5 19 19 20 2 2 2 3 3 4 17 17 21 19 19 23 19 19 24 7 7 21 22 22 25 23 23 24 7 7 27 26 26 29 26 26 30 27 27 31 28 28 31 29 29 30 5 7 9 9 9 9 9 10 10 10 10 10 11 11 11 11 11 12 12 12 12 12 12 13 13 13 13 13 13 14 14 14 15 15 15 16 16 16 17 17 17 17 17 17 18 18 18 18 18 18 19 19 19 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 30 30 30 31 31 31 17 26 12 13 12 13 13 14 32 14 32 32 15 33 15 33 33 34 35 36 35 36 36 37 38 39 38 39 39 16 40 40 6 11 11 14 18 18 19 20 41 20 41 41 3 4 16 4 16 16 21 22 22 23 42 42 24 43 43 21 25 25 25 44 44 24 45 45 27 28 28 29 46 46 30 47 47 31 48 48 31 49 49 30 50 50 118.5192 118.2374 121.0607 116.6049 120.8848 114.73 113.0346 122.8913 116.0049 122.0887 111.299 113.736 124.653 115.3173 123.9339 115.048 110.6207 113.9243 109.436 109.656 108.1435 107.6374 107.8578 110.4553 109.918 111.8757 108.0776 108.2581 108.1442 124.8593 118.6734 116.4621 122.4805 113.2931 124.2242 123.3597 113.2661 123.3271 106.5227 109.4593 109.8486 111.6947 111.243 108.0603 106.2609 106.9521 112.2849 106.9832 111.9664 112.0129 118.3613 120.6527 120.9581 119.2876 119.9724 120.7312 118.9828 120.4372 120.5784 123.0618 116.4362 120.5014 120.7634 119.7648 119.4658 119.4953 119.1452 121.3548 119.377 119.0264 121.5739 118.97 119.5299 121.4979 118.9865 119.5616 121.452 120.2621 119.5698 120.168 120.256 119.5681 120.1759 119.9494 120.0166 120.0338 calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically A87 A88 8 8 20 20 17 17 7 7 -1 -2 178.8459 calculate D2E/DX2 analytically|calculate D2E/DX2 analytically 179.1298 D1 D2 D3 D4 D5 D6 D7 D8 D9 D10 D11 D12 D13 D14 D15 D16 D17 D18 D19 D20 D21 D22 D23 D24 D25 D26 D27 D28 D29 D30 D31 D32 D33 D34 D35 D36 D37 D38 D39 D40 D41 D42 D43 D44 D45 D46 D47 D48 D49 D50 D51 D52 D53 D54 D55 D56 D57 D58 D59 D60 D61 D62 D63 D64 D65 D66 D67 D68 D69 D70 D71 D72 D73 D74 D75 D76 D77 D78 D79 D80 D81 D82 D83 D84 D85 D86 D87 D88 D89 D90 D91 D92 D93 D94 D95 D96 D97 D98 D99 D100 D101 D102 D103 D104 D105 D106 D107 D108 D109 D110 D111 D112 D113 D114 D115 17 17 15 15 15 26 26 23 23 12 12 13 13 12 12 13 13 10 10 10 11 11 11 13 13 13 10 10 10 11 11 11 12 12 12 14 14 32 32 9 9 11 11 32 32 9 9 10 10 33 33 10 10 40 40 1 1 1 14 14 14 5 5 20 20 41 41 17 17 22 22 17 17 21 21 19 19 42 42 19 19 43 43 7 7 21 21 22 22 44 44 7 7 28 28 7 7 27 27 26 26 46 46 26 26 47 47 27 27 48 48 28 28 49 49 5 5 5 5 5 7 7 7 7 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 10 10 10 10 10 10 10 10 10 10 11 11 11 11 11 11 14 14 14 14 16 16 16 16 16 16 17 17 17 17 17 17 19 19 19 19 19 19 19 19 21 21 21 21 22 22 22 22 23 23 23 23 24 24 24 24 26 26 26 26 26 26 26 26 27 27 27 27 28 28 28 28 29 29 29 29 30 30 30 30 15 15 17 17 17 23 23 26 26 10 10 10 10 11 11 11 11 12 12 12 12 12 12 12 12 12 13 13 13 13 13 13 13 13 13 11 11 11 11 14 14 14 14 14 14 15 15 15 15 15 15 16 16 16 16 18 18 18 18 18 18 19 19 19 19 19 19 21 21 21 21 22 22 22 22 23 23 23 23 24 24 24 24 25 25 25 25 25 25 25 25 27 27 27 27 28 28 28 28 29 29 29 29 30 30 30 30 31 31 31 31 31 31 31 31 6 11 19 20 41 21 25 27 28 14 32 14 32 15 33 15 33 34 35 36 34 35 36 34 35 36 37 38 39 37 38 39 37 38 39 15 33 15 33 16 40 16 40 16 40 5 6 5 6 5 6 1 18 1 18 2 3 4 2 3 4 21 22 21 22 21 22 23 42 23 42 24 43 24 43 7 25 7 25 25 44 25 44 24 45 24 45 23 45 23 45 29 46 29 46 30 47 30 47 31 48 31 48 31 49 31 49 30 50 30 50 29 50 29 50 0.4794 -178.9977 166.7571 -72.3289 46.1677 -5.9701 173.7491 91.0737 -90.6299 -0.4421 -148.5294 143.9036 -4.1836 0.8697 144.058 -140.1591 3.0292 -35.8381 85.3466 -156.5317 37.0268 158.2115 -83.6668 178.6564 -60.1589 57.9629 152.9411 -87.8881 32.2714 84.1719 -156.6573 -36.4978 -59.9183 59.2526 179.412 -0.6137 -142.1474 138.3583 -3.1755 175.1179 -5.7462 101.9309 -78.9333 -36.1479 142.9879 -50.5917 129.9416 21.7909 -157.6757 164.7684 -14.6982 -3.408 179.2564 177.4389 0.1033 56.9319 -62.5141 177.3012 -125.4903 115.0637 -5.121 54.0177 -124.0802 -65.4539 116.4481 173.7069 -4.391 -177.3389 1.5838 0.753 179.6758 178.2401 -1.3023 0.1919 -179.3506 178.4834 -1.2248 -0.431 179.8608 -0.6803 -179.7819 178.8615 -0.2401 -178.9787 0.2438 0.7482 179.9707 0.2168 -178.988 179.3211 0.1163 178.6614 -1.8605 0.4099 179.8881 -178.6063 1.4039 -0.3489 179.6613 -0.0593 179.8545 -179.5268 0.387 -0.0634 179.9535 179.9262 -0.0569 -0.3431 179.8496 179.7437 -0.0636 0.4052 -179.7875 -179.6118 0.1955 calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|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. 0.00123 0.00168 0.00176 0.00197 0.00273 0.00451 0.00620 0.01337 0.01584 0.01685 0.01723 0.01736 0.01773 0.01797 0.01831 0.01865 0.01960 0.02059 0.02121 0.02211 0.02256 0.02273 0.02397 0.02406 0.02467 0.02571 0.02654 0.02698 0.02920 0.02962 0.02992 0.03030 0.03125 0.03251 0.03453 0.04288 0.04450 0.04477 0.04583 0.04699 0.05550 0.06132 0.06195 0.06727 0.07269 0.08229 0.08963 0.09401 0.10506 0.10721 0.10808 0.10946 0.11152 0.11432 0.11569 0.11771 0.11916 0.12087 0.12110 0.12163 0.12276 0.12421 0.12453 0.12602 0.13748 0.14461 0.14783 0.14986 0.15682 0.15941 0.16432 0.17246 0.17681 0.17948 0.18062 0.18357 0.19028 0.19297 0.19423 0.19815 0.20399 0.21008 0.21398 0.22011 0.22240 0.22652 0.23585 0.23850 0.24436 0.24995 0.25800 0.26287 0.27501 0.28328 0.28769 0.28994 0.29920 0.30887 0.31807 0.32098 0.32239 0.33003 0.33130 0.33328 0.33431 0.33653 0.33763 0.34040 0.34133 0.34490 0.35262 0.35475 0.35493 0.35571 0.35675 0.35743 0.35781 0.35785 0.35926 0.35970 0.36055 0.36151 0.36254 0.36409 0.37244 0.39146 0.40742 0.40969 0.42569 0.42676 0.43264 0.45858 0.46352 0.46410 0.47029 0.49727 0.50036 0.50864 0.56839 0.59423 0.64267 0.81184 0.95237 1.25079 Angle between quadratic step and forces= 81.03 degrees. 1 2 3 0.00102744 0.00000101 0.00000000 0.00000043 0.00000001 0.00000001 R1 R2 R3 R4 R5 R6 R7 R8 R9 R10 R11 R12 R13 R14 R15 R16 R17 R18 R19 R20 R21 R22 R23 R24 R25 R26 R27 R28 R29 R30 R31 R32 R33 R34 R35 R36 R37 R38 R39 R40 R41 R42 R43 R44 R45 R46 R47 R48 R49 R50 R51 R52 A1 A2 A3 A4 A5 A6 A7 A8 A9 A10 A11 A12 A13 A14 A15 A16 A17 A18 A19 A20 A21 A22 A23 A24 A25 A26 A27 A28 A29 A30 A31 A32 A33 A34 A35 A36 A37 A38 A39 A40 A41 A42 A43 A44 A45 A46 A47 A48 A49 A50 A51 A52 A53 A54 A55 A56 A57 A58 A59 A60 A61 A62 A63 A64 A65 A66 A67 A68 A69 A70 A71 A72 A73 A74 A75 A76 A77 A78 A79 A80 A81 A82 A83 A84 A85 A86 A87 A88 D1 D2 D3 D4 D5 D6 D7 D8 D9 D10 D11 D12 D13 D14 D15 D16 D17 D18 D19 D20 D21 D22 D23 D24 D25 D26 D27 D28 D29 D30 D31 D32 D33 D34 D35 D36 D37 D38 D39 D40 D41 D42 D43 D44 D45 D46 D47 D48 D49 D50 D51 D52 D53 D54 D55 D56 D57 D58 D59 D60 D61 D62 D63 D64 D65 D66 D67 D68 D69 D70 D71 D72 D73 D74 D75 D76 D77 D78 D79 D80 D81 D82 D83 D84 D85 D86 D87 D88 D89 D90 D91 D92 D93 D94 D95 D96 D97 D98 D99 D100 D101 D102 D103 D104 D105 D106 D107 D108 D109 D110 D111 D112 D113 D114 D115 3.31518 2.56474 2.56420 2.54554 2.55827 2.73334 2.29487 2.60500 2.63985 2.17719 2.84204 2.90072 2.86632 2.86914 2.92463 2.78772 2.05066 2.78800 2.04598 2.05495 2.06669 2.06716 2.06773 2.06872 2.06523 2.51622 2.04616 2.83812 2.86071 2.78443 2.06310 2.64005 2.62818 2.62553 2.04350 2.64205 2.04791 2.64177 2.62446 2.04843 2.04788 2.62758 2.62876 2.63607 2.04804 2.63513 2.04609 2.63704 2.04904 2.63695 2.04906 2.04879 2.06855 2.06363 2.11291 2.03514 2.10984 2.00242 1.97283 2.14486 2.02467 2.13085 1.94253 1.98507 2.17561 2.01267 2.16305 2.00797 1.93070 1.98835 1.91002 1.91386 1.88746 1.87863 1.88247 1.92781 1.91843 1.95260 1.88631 1.88946 1.88747 2.17921 2.07124 2.03265 2.13769 1.97734 2.16812 2.15303 1.97687 2.15246 1.85917 1.91042 1.91722 1.94944 1.94156 1.88601 1.85460 1.86667 1.95974 1.86721 1.95418 1.95499 2.06579 2.10579 2.11112 2.08196 2.09391 2.10716 2.07664 2.10203 2.10449 2.14783 2.03220 2.10315 2.10772 2.09029 2.08507 2.08559 2.07948 2.11804 2.08352 2.07740 2.12186 2.07642 2.08619 2.12054 2.07671 2.08674 2.11974 2.09897 2.08689 2.09733 2.09886 2.08686 2.09746 2.09351 2.09468 2.09498 3.12145 3.12640 0.00837 -3.12410 2.91046 -1.26238 0.80578 -0.10420 3.03249 1.58954 -1.58179 -0.00772 -2.59233 2.51159 -0.07302 0.01518 2.51429 -2.44624 0.05287 -0.62549 1.48958 -2.73199 0.64624 2.76131 -1.46026 3.11814 -1.04997 1.01164 2.66933 -1.53394 0.56324 1.46908 -2.73419 -0.63701 -1.04577 1.03415 3.13133 -0.01071 -2.48094 2.41481 -0.05542 3.05638 -0.10029 1.77903 -1.37765 -0.63090 2.49561 -0.88299 2.26791 0.38032 -2.75196 2.87575 -0.25653 -0.05948 3.12861 3.09689 0.00180 0.99365 -1.09108 3.09449 -2.19022 2.00824 -0.08938 0.94279 -2.16561 -1.14239 2.03240 3.03176 -0.07664 -3.09515 0.02764 0.01314 3.13593 3.11088 -0.02273 0.00335 -3.13026 3.11512 -0.02138 -0.00752 3.13916 -0.01187 -3.13779 3.12172 -0.00419 -3.12377 0.00425 0.01306 3.14108 0.00378 -3.12393 3.12974 0.00203 3.11823 -0.03247 0.00715 3.13964 -3.11727 0.02450 -0.00609 3.13568 -0.00103 3.13905 -3.13333 0.00675 -0.00111 3.14078 3.14031 -0.00099 -0.00599 3.13897 3.13712 -0.00111 0.00707 -3.13788 -3.13482 0.00341 0.00000 0.00001 -0.00001 -0.00001 -0.00001 0.00001 -0.00000 -0.00000 0.00001 -0.00000 0.00001 -0.00001 0.00000 -0.00000 -0.00000 -0.00001 -0.00000 -0.00001 0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00001 -0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00002 -0.00001 -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 0.00006 0.00001 -0.00001 0.00001 -0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00001 -0.00000 -0.00000 -0.00002 0.00001 0.00001 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00003 -0.00001 -0.00001 0.00003 -0.00005 0.00002 0.00001 0.00000 -0.00001 -0.00005 0.00001 0.00002 0.00002 0.00001 -0.00001 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 -0.00000 0.00000 0.00001 -0.00001 -0.00000 -0.00000 0.00000 0.00000 0.00001 -0.00001 -0.00000 0.00000 -0.00001 0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00001 0.00000 0.00000 0.00001 0.00000 0.00000 0.00001 -0.00000 -0.00000 -0.00000 -0.00000 0.00001 -0.00000 0.00001 -0.00000 -0.00001 0.00000 -0.00002 -0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00001 -0.00001 -0.00000 0.00000 -0.00001 -0.00000 0.00000 0.00001 -0.00000 0.00001 0.00000 0.00001 -0.00000 0.00000 -0.00001 -0.00000 0.00000 0.00001 -0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00001 0.00000 0.00001 -0.00001 0.00000 0.00001 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 -0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00005 0.00003 -0.00002 -0.00002 -0.00005 0.00009 -0.00002 -0.00002 0.00003 -0.00001 0.00015 -0.00017 0.00000 -0.00001 0.00012 -0.00014 -0.00003 0.00003 0.00000 0.00002 -0.00001 -0.00000 0.00000 -0.00000 -0.00000 0.00004 -0.00002 0.00001 -0.00001 0.00000 -0.00001 0.00007 -0.00003 -0.00003 0.00003 0.00003 -0.00000 0.00005 -0.00005 -0.00000 0.00000 -0.00002 0.00000 0.00001 -0.00000 -0.00000 0.00001 -0.00001 -0.00000 0.00000 -0.00000 0.00000 0.00015 0.00001 -0.00001 -0.00009 -0.00005 0.00009 0.00002 -0.00010 -0.00007 0.00011 -0.00006 0.00014 0.00010 -0.00001 -0.00007 -0.00014 0.00004 0.00002 0.00005 -0.00002 -0.00001 -0.00004 0.00000 0.00001 -0.00001 0.00000 0.00000 -0.00001 0.00001 0.00024 -0.00007 -0.00017 0.00006 -0.00009 0.00003 0.00010 -0.00002 -0.00009 -0.00019 0.00001 0.00001 0.00011 0.00002 0.00003 0.00000 -0.00002 0.00001 -0.00001 0.00000 0.00002 0.00001 -0.00005 0.00003 -0.00005 -0.00003 0.00008 0.00002 -0.00002 0.00000 0.00006 -0.00006 0.00000 -0.00004 0.00001 0.00003 0.00004 -0.00006 0.00002 0.00002 -0.00005 0.00003 -0.00002 0.00001 0.00001 -0.00001 -0.00001 0.00002 -0.00000 -0.00000 0.00000 -0.00001 0.00003 -0.00002 0.00001 0.00000 -0.00002 -0.00010 0.00003 -0.00060 -0.00051 0.00080 0.00083 0.00087 -0.00068 -0.00067 0.00030 0.00029 -0.00014 -0.00012 -0.00027 -0.00025 -0.00012 0.00012 -0.00022 0.00002 -0.00040 -0.00037 -0.00035 -0.00036 -0.00033 -0.00031 -0.00024 -0.00021 -0.00019 0.00049 0.00049 0.00050 0.00043 0.00043 0.00043 0.00037 0.00037 0.00037 -0.00040 -0.00013 -0.00011 0.00016 0.00215 0.00226 0.00230 0.00241 0.00207 0.00218 -0.00036 -0.00027 -0.00025 -0.00016 -0.00057 -0.00048 -0.00010 0.00014 -0.00020 0.00003 -0.00061 -0.00062 -0.00062 -0.00082 -0.00083 -0.00084 0.00100 0.00146 0.00105 0.00151 0.00092 0.00138 0.00041 0.00033 -0.00006 -0.00013 -0.00039 -0.00044 0.00008 0.00003 -0.00000 -0.00001 0.00007 0.00006 -0.00004 -0.00004 0.00001 0.00001 0.00005 -0.00003 0.00006 -0.00002 -0.00003 0.00005 -0.00002 0.00005 -0.00004 0.00001 -0.00003 0.00002 0.00005 0.00005 0.00004 0.00004 -0.00000 0.00000 -0.00005 -0.00005 -0.00001 -0.00002 -0.00002 -0.00003 0.00003 0.00002 0.00003 0.00001 -0.00003 -0.00001 -0.00001 0.00000 0.00005 0.00003 -0.00002 -0.00002 -0.00005 0.00009 -0.00002 -0.00002 0.00003 -0.00001 0.00015 -0.00017 0.00000 -0.00001 0.00012 -0.00014 -0.00003 0.00003 0.00000 0.00002 -0.00001 -0.00000 0.00000 -0.00000 -0.00000 0.00004 -0.00002 0.00001 -0.00001 0.00000 -0.00001 0.00007 -0.00003 -0.00003 0.00003 0.00003 -0.00000 0.00005 -0.00005 -0.00000 0.00000 -0.00002 0.00000 0.00001 -0.00000 -0.00000 0.00001 -0.00001 -0.00000 0.00000 -0.00000 0.00000 0.00015 0.00001 -0.00001 -0.00009 -0.00005 0.00009 0.00002 -0.00010 -0.00007 0.00011 -0.00006 0.00014 0.00010 -0.00001 -0.00007 -0.00014 0.00004 0.00002 0.00005 -0.00002 -0.00001 -0.00004 0.00000 0.00001 -0.00001 0.00000 0.00000 -0.00001 0.00001 0.00024 -0.00007 -0.00017 0.00006 -0.00009 0.00003 0.00010 -0.00002 -0.00009 -0.00019 0.00001 0.00001 0.00011 0.00002 0.00003 0.00000 -0.00002 0.00001 -0.00001 0.00000 0.00002 0.00001 -0.00005 0.00003 -0.00005 -0.00003 0.00008 0.00002 -0.00002 0.00000 0.00006 -0.00006 0.00000 -0.00004 0.00001 0.00003 0.00004 -0.00006 0.00002 0.00002 -0.00005 0.00003 -0.00002 0.00001 0.00001 -0.00001 -0.00001 0.00002 -0.00000 -0.00000 0.00000 -0.00001 0.00003 -0.00002 0.00001 0.00000 -0.00002 -0.00010 0.00003 -0.00060 -0.00051 0.00080 0.00083 0.00087 -0.00068 -0.00067 0.00030 0.00029 -0.00014 -0.00012 -0.00027 -0.00025 -0.00012 0.00012 -0.00022 0.00002 -0.00040 -0.00037 -0.00035 -0.00036 -0.00033 -0.00031 -0.00024 -0.00021 -0.00019 0.00049 0.00049 0.00050 0.00043 0.00043 0.00043 0.00037 0.00037 0.00037 -0.00040 -0.00013 -0.00011 0.00016 0.00215 0.00226 0.00230 0.00241 0.00207 0.00218 -0.00036 -0.00027 -0.00025 -0.00016 -0.00057 -0.00048 -0.00010 0.00014 -0.00020 0.00003 -0.00061 -0.00062 -0.00062 -0.00082 -0.00083 -0.00084 0.00100 0.00146 0.00105 0.00151 0.00092 0.00138 0.00041 0.00033 -0.00006 -0.00013 -0.00039 -0.00044 0.00008 0.00003 -0.00000 -0.00001 0.00007 0.00006 -0.00004 -0.00004 0.00001 0.00001 0.00005 -0.00003 0.00006 -0.00002 -0.00003 0.00005 -0.00002 0.00005 -0.00004 0.00001 -0.00003 0.00002 0.00005 0.00005 0.00004 0.00004 -0.00000 0.00000 -0.00005 -0.00005 -0.00001 -0.00002 -0.00002 -0.00003 0.00003 0.00002 0.00003 0.00001 -0.00003 -0.00001 -0.00001 0.00000 3.31523 2.56477 2.56418 2.54552 2.55822 2.73343 2.29486 2.60497 2.63988 2.17718 2.84220 2.90055 2.86633 2.86914 2.92475 2.78758 2.05064 2.78804 2.04599 2.05497 2.06669 2.06715 2.06773 2.06872 2.06523 2.51626 2.04613 2.83813 2.86070 2.78443 2.06309 2.64013 2.62815 2.62550 2.04354 2.64207 2.04790 2.64182 2.62441 2.04843 2.04788 2.62757 2.62876 2.63608 2.04804 2.63512 2.04610 2.63704 2.04903 2.63695 2.04906 2.04879 2.06870 2.06364 2.11290 2.03505 2.10979 2.00250 1.97285 2.14476 2.02459 2.13096 1.94247 1.98520 2.17571 2.01266 2.16298 2.00783 1.93073 1.98837 1.91007 1.91383 1.88745 1.87859 1.88248 1.92782 1.91842 1.95260 1.88631 1.88945 1.88748 2.17944 2.07117 2.03248 2.13775 1.97725 2.16815 2.15313 1.97685 2.15238 1.85899 1.91043 1.91723 1.94955 1.94158 1.88603 1.85460 1.86664 1.95975 1.86720 1.95418 1.95501 2.06580 2.10574 2.11114 2.08191 2.09388 2.10724 2.07666 2.10201 2.10449 2.14789 2.03213 2.10315 2.10768 2.09030 2.08510 2.08563 2.07941 2.11806 2.08354 2.07736 2.12189 2.07640 2.08620 2.12055 2.07669 2.08673 2.11976 2.09897 2.08689 2.09733 2.09886 2.08689 2.09744 2.09352 2.09469 2.09497 3.12135 3.12643 0.00777 -3.12461 2.91126 -1.26155 0.80665 -0.10488 3.03182 1.58983 -1.58151 -0.00786 -2.59245 2.51132 -0.07327 0.01506 2.51440 -2.44646 0.05289 -0.62590 1.48921 -2.73234 0.64588 2.76098 -1.46057 3.11790 -1.05018 1.01145 2.66982 -1.53344 0.56374 1.46950 -2.73376 -0.63657 -1.04540 1.03452 3.13170 -0.01111 -2.48107 2.41470 -0.05526 3.05853 -0.09803 1.78133 -1.37524 -0.62883 2.49779 -0.88335 2.26764 0.38007 -2.75212 2.87518 -0.25701 -0.05958 3.12875 3.09669 0.00184 0.99304 -1.09170 3.09387 -2.19104 2.00741 -0.09022 0.94379 -2.16415 -1.14134 2.03391 3.03268 -0.07526 -3.09474 0.02798 0.01309 3.13581 3.11049 -0.02317 0.00343 -3.13023 3.11512 -0.02139 -0.00745 3.13922 -0.01191 -3.13783 3.12173 -0.00418 -3.12372 0.00423 0.01312 3.14106 0.00375 -3.12388 3.12972 0.00208 3.11819 -0.03246 0.00712 3.13966 -3.11722 0.02456 -0.00605 3.13573 -0.00104 3.13905 -3.13339 0.00670 -0.00111 3.14076 3.14029 -0.00102 -0.00596 3.13898 3.13715 -0.00110 0.00705 -3.13790 -3.13483 0.00341 |Maximum Force|RMS Force|Maximum Displacement|RMS Displacement| 0.000064 0.000008 0.006234 0.001028 0.000450 0.000300 0.001800 0.001200 YES YES NO YES -7.396079e-08 6-311+G(d,p) (5D, 7F) 0.10000e-02 0.10000e-05 F 835 A 804 A 804 1285 835 116 116 3448.3425485165 50 50 50 1.00e+00 60 F IExCor= 402 DFT=T Ex+Corr=B3LYP ExCW=0 ScaHFX= 0.200000 ScaDFX= 0.800000 0.720000 1.000000 0.810000 ScalE2= 1.000000 1.000000 IRadAn= 5 IRanWt= -1 IRanGd= 0 ICorTp=0 IEmpDi=131 Grimme-D3 -0.0654463370 PCM SMD-Coulomb. Total charges None Matrix inversion n-Octanol 9.862900 2.043470 0.000000 3.050774 0.000000 3.100309 2.171306 0.000000 3.932741 2.173160 2.173365 0.000000 4.469215 5.535929 4.338391 4.208376 0.000000 5.292388 7.230205 5.989657 6.288269 2.252374 0.000000 7.142981 5.579410 4.974323 3.489720 5.080645 7.273506 0.000000 7.839189 8.596161 7.141613 6.853937 3.399860 3.685614 5.902523 0.000000 4.648499 6.024562 5.905784 5.139975 3.075959 3.663148 6.529356 5.481552 0.000000 3.150705 4.731120 4.684700 4.214999 2.914334 3.765216 6.340984 6.015112 1.503944 0.000000 4.022886 5.950877 5.416104 5.228235 2.364100 2.380500 6.850046 5.060474 1.534995 1.547649 0.000000 5.613267 6.352467 6.148449 4.995250 3.067509 4.148394 5.567163 4.795620 1.516794 2.629912 2.654644 0.000000 5.516426 7.080575 7.223554 6.433004 4.527139 4.640031 7.877737 6.631813 1.518285 2.571426 2.571254 2.531415 0.000000 2.723898 3.462554 3.394212 2.743735 2.749535 4.324967 5.166894 5.993628 2.616810 1.475200 2.645209 3.088241 3.873635 0.000000 4.496923 6.222610 5.177355 5.223295 1.353778 1.214395 6.387946 3.831526 2.666129 2.668545 1.475348 3.153763 3.872880 3.155047 0.000000 1.754319 2.375613 2.370957 2.363615 3.481294 4.974482 5.461741 6.800078 3.854709 2.488894 3.585981 4.415844 5.007499 1.331528 3.935084 0.000000 5.420776 6.208444 4.610947 4.730926 1.446423 2.707781 4.932847 2.625381 4.474293 4.342584 3.714920 4.239140 5.900639 3.980582 2.407217 4.464710 0.000000 2.722996 1.357204 1.356916 1.347039 4.223860 6.009257 4.745248 7.247551 5.108410 3.882898 4.922411 5.350915 6.336938 2.495196 5.007748 1.501867 4.853551 0.000000 5.540184 5.561892 3.889711 3.870990 2.372601 4.157683 3.689651 3.470419 5.212923 4.891412 4.703710 4.781454 6.719355 4.074368 3.639948 4.335073 1.513823 4.243076 0.000000 6.754923 7.531216 6.024334 5.877385 2.383946 3.009636 5.353445 1.152119 4.885945 5.178222 4.317541 4.364994 6.176384 5.038872 3.002836 5.743128 1.473456 6.176202 2.472212 0.000000 5.896761 5.402938 4.157600 3.379900 2.851851 4.943117 2.433173 3.842466 5.063490 4.891426 4.974360 4.315424 6.544978 3.947448 4.194409 4.388389 2.500540 4.162508 1.397055 3.065518 0.000000 5.775112 5.593462 3.625546 4.178126 3.486116 5.004763 4.169031 4.479630 6.382174 5.835336 5.718026 6.092101 7.890145 4.885595 4.632190 4.781850 2.524422 4.387822 1.390774 3.524829 2.425903 0.000000 6.426855 5.246761 4.150365 3.185615 4.140416 6.275423 1.378506 5.061861 6.137801 5.830230 6.158790 5.354939 7.594027 4.661189 5.491159 4.860860 3.779498 4.205266 2.404409 4.365232 1.389369 2.792265 0.000000 6.335681 5.458172 3.639257 4.029913 4.606732 6.333438 3.637866 5.554424 7.268309 6.651285 6.782501 6.866177 8.784167 5.487986 5.840967 5.233801 3.800194 4.443698 2.402776 4.696573 2.787001 1.398112 2.407256 0.000000 6.643732 5.285135 3.910143 3.554171 4.877042 6.880884 2.360187 5.807028 7.170261 6.655457 6.979029 6.561571 8.660504 5.395995 6.207929 5.274200 4.295626 4.357853 2.782505 5.044717 2.419981 2.422773 1.397965 1.388803 0.000000 7.263763 5.923647 5.619296 3.819393 4.993031 7.136616 1.396950 5.783221 5.848975 5.912870 6.447974 4.706967 7.065039 4.930179 6.178531 5.516755 5.121189 5.093932 4.194892 5.356076 2.800962 5.022797 2.382006 4.785605 3.637263 0.000000 8.335458 7.252829 6.832672 5.129211 5.457589 7.404389 2.406356 5.466025 6.241196 6.604977 6.911517 4.891420 7.361200 5.846199 6.560427 6.608513 5.467471 6.350473 4.732869 5.319538 3.389466 5.680507 3.233870 5.569363 4.498805 1.390457 0.000000 6.617884 5.222248 5.389480 3.324436 5.032584 7.168793 2.402577 6.467182 5.232200 5.222531 6.029599 4.222173 6.321659 4.255593 6.077961 4.875201 5.524573 4.561315 4.763402 5.937317 3.465997 5.642290 3.226109 5.487366 4.416816 1.391081 2.427757 0.000000 8.783793 7.894884 7.705316 5.874497 5.910674 7.682259 3.675839 5.882631 6.044977 6.660343 6.963461 4.589786 6.933735 6.140412 6.819259 7.082945 6.151351 7.041673 5.688279 5.866665 4.395850 6.788084 4.479633 6.824445 5.807100 2.399619 1.394949 2.794706 0.000000 7.183523 6.092528 6.466830 4.396193 5.523642 7.457745 3.673146 6.819770 5.003411 5.300873 6.094802 3.873978 5.825533 4.660636 6.359951 5.510429 6.202812 5.491639 5.714191 6.430517 4.455363 6.756682 4.474144 6.758121 5.744045 2.399928 2.795106 1.394450 2.416351 0.000000 8.259875 7.390394 7.546867 5.571289 5.939733 7.705682 4.168439 6.548350 5.437706 6.049074 6.569525 4.073526 6.159139 5.610686 6.721716 6.597315 6.488994 6.672288 6.121332 6.396250 4.847641 7.263743 4.985270 7.341823 6.333170 2.771695 2.419752 2.419202 1.395462 1.395412 0.000000 2.868696 4.818459 5.065767 4.772804 3.890471 4.420627 7.247508 7.022345 2.206931 1.085164 2.189262 3.525829 2.688312 2.154655 3.466669 2.751898 5.291764 4.220424 5.844820 6.178463 5.896899 6.677409 6.762177 7.464170 7.507657 6.833582 7.584748 6.024417 7.594775 6.046473 6.869759 0.000000 4.287600 6.616211 6.125844 6.145499 3.275059 2.552758 7.923950 5.727161 2.224814 2.232996 1.082687 3.524848 2.664118 3.498939 2.115175 4.263431 4.503547 5.683300 5.611498 5.048551 6.001923 6.537713 7.198275 7.661497 7.957436 7.528288 7.970773 7.078823 7.970836 7.084686 7.539170 2.401028 0.000000 5.438491 5.906235 5.456274 4.308415 2.376067 3.935329 4.611027 4.119455 2.195666 2.836339 2.858596 1.087434 3.497035 2.823027 2.902193 4.064292 3.386874 4.788254 3.758185 3.584026 3.231747 5.085928 4.304431 5.824007 5.510344 3.881433 4.134812 3.608611 4.106538 3.580295 3.835730 3.877154 3.880847 0.000000 5.969550 6.342320 6.466403 5.013008 3.981286 5.220910 5.532419 5.682092 2.144923 3.092838 3.527567 1.093647 2.776043 3.387264 4.181422 4.679754 5.130040 5.499477 5.446347 5.285775 4.751434 6.728158 5.579000 7.332757 6.843947 4.500757 4.704993 3.779109 4.208249 3.146654 3.403774 3.838597 4.348664 1.766138 0.000000 6.540543 7.418773 7.083005 5.993684 3.522886 4.178297 6.166284 4.472451 2.147903 3.497861 3.104901 1.093892 2.762428 4.109952 3.427402 5.426589 4.516030 6.372675 5.237765 4.292399 4.827868 6.599799 5.949803 7.456343 7.187656 5.248986 5.154993 4.942085 4.703721 4.472053 4.337677 4.339588 3.810373 1.760668 1.768159 0.000000 6.451419 8.061226 8.044007 7.255790 4.859932 4.661787 8.345973 6.422331 2.159542 3.455595 3.028301 2.790310 1.094195 4.739503 4.100086 5.924391 6.116973 7.232448 7.071290 6.143384 6.920867 8.305436 8.053912 9.273299 9.169878 7.474744 7.579831 6.860060 7.053359 6.278884 6.380414 3.682331 3.009788 3.792041 3.141422 2.572382 0.000000 5.894355 7.099534 7.526490 6.480963 5.214082 5.629569 7.891742 7.320649 2.153153 3.056710 3.472210 2.777161 1.094717 4.141238 4.761791 5.266428 6.596295 6.492867 7.239782 6.882285 6.875304 8.423895 7.791292 9.189445 8.914342 6.966315 7.273510 6.070503 6.718181 5.401118 5.767049 3.090233 3.681048 3.790512 2.572655 3.103444 1.771738 0.000000 5.215075 7.142871 7.339817 6.803641 4.951614 4.779671 8.620006 7.286596 2.176247 2.699146 2.700336 3.486176 1.092874 4.126731 4.121417 5.063353 6.344089 6.493940 7.221656 6.754220 7.197101 8.288204 8.246533 9.221560 9.209603 7.907060 8.305239 7.126143 7.953032 6.720123 7.164185 2.410743 2.407910 4.346822 3.775056 3.771305 1.772267 1.771415 0.000000 3.694006 3.689188 3.576310 2.338914 2.716161 4.652018 4.199952 5.598435 2.830932 2.209402 3.174657 2.727170 4.172154 1.082779 3.456234 2.056765 3.800287 2.654577 3.658250 4.714914 3.198651 4.599954 3.842847 5.073504 4.756587 3.861644 4.778742 3.206990 5.098621 3.675696 4.619296 3.051025 4.170065 2.226351 2.893257 3.765710 4.934828 4.313363 4.667212 0.000000 5.401540 6.501906 4.722155 5.299145 2.087193 2.539524 5.813765 3.144285 5.058978 4.770998 4.012127 5.078777 6.418824 4.493485 2.616533 4.765963 1.091743 5.184234 2.163606 2.088153 3.413809 2.625914 4.562702 4.018164 4.810769 6.129537 6.524036 6.513383 7.240744 7.232059 7.567778 5.593263 4.603361 4.326841 6.020081 5.339296 6.634611 7.210425 6.707823 4.530314 0.000000 6.065587 5.754597 4.796066 3.705647 2.680665 4.737552 2.703453 3.559725 4.383090 4.490165 4.538660 3.421178 5.798965 3.752262 3.910245 4.498295 2.685840 4.532240 2.151886 2.937538 1.081375 3.401658 2.152959 3.868345 3.403617 2.495829 2.854029 3.034555 3.603495 3.748202 3.991173 5.545484 5.595360 2.343720 3.825470 3.863389 6.101086 6.080077 6.556855 2.893119 3.746131 0.000000 5.854404 6.064029 3.955269 4.938144 3.789584 4.860648 5.252416 4.707874 6.781993 6.174701 5.894574 6.671117 8.251056 5.363446 4.712446 5.159364 2.736535 4.891275 2.153077 3.751608 3.407964 1.083707 3.875876 2.161179 3.405211 6.083258 6.704909 6.655440 7.770789 7.728810 8.231686 6.939919 6.578991 5.731673 7.406691 7.131553 8.639618 8.886798 8.542804 5.266117 2.382358 4.295670 0.000000 6.811186 5.844721 3.979528 4.718771 5.524590 7.102262 4.499933 6.430798 8.221424 7.504609 7.646657 7.901113 9.731268 6.319952 6.690218 5.892321 4.674120 4.984153 3.386437 5.587251 3.870969 2.152785 3.388444 1.083985 2.141229 5.738202 6.541704 6.426920 7.832596 7.737457 8.360120 8.248023 8.468985 6.873264 8.371286 8.506324 10.247384 10.152717 10.106904 5.995193 4.703324 4.952314 2.487562 0.000000 7.311387 5.551741 4.415578 3.973096 5.914765 7.950538 2.555729 6.808357 8.052913 7.499874 7.944699 7.410268 9.517182 6.166988 7.246126 5.949521 5.378828 4.843539 3.866020 6.096547 3.393638 3.411771 2.145771 2.160880 1.083689 3.945843 4.840968 4.718231 6.183708 6.088242 6.713540 8.307344 8.931759 6.381222 7.581559 8.068040 10.065152 9.690292 10.074042 5.500848 5.878538 4.288910 4.310557 2.485971 0.000000 8.961781 7.906237 7.242778 5.744315 5.792771 7.652997 2.624516 5.250782 6.962813 7.328361 7.480756 5.617925 8.136884 6.560165 6.935545 7.266014 5.531867 6.942980 4.737173 5.227942 3.508203 5.570590 3.285395 5.410308 4.390183 2.143227 1.083776 3.401084 2.167994 3.878666 3.410788 8.348498 8.530582 4.786043 5.575089 5.774195 8.285790 8.142453 9.074561 5.523775 6.540687 3.156921 6.568370 6.329324 4.702780 0.000000 5.924866 4.228073 4.626576 2.474070 5.076067 7.253826 2.618195 6.979128 5.304433 4.994407 5.993635 4.567139 6.418990 3.841783 6.118696 4.213600 5.637397 3.717878 4.796410 6.298064 3.642450 5.506681 3.274630 5.264080 4.243101 2.143273 3.400241 1.082744 3.877250 2.166203 3.409042 5.686060 7.014432 3.971087 4.155679 5.441301 7.099887 6.168966 7.095901 2.902237 6.528499 3.445934 6.484421 6.121626 4.478051 4.280111 0.000000 9.711503 8.951987 8.679793 6.914840 6.547800 8.135723 4.550748 6.000607 6.657452 7.430359 7.577498 5.151984 7.446863 7.037197 7.377427 8.038877 6.699362 8.059615 6.348606 6.188469 5.134053 7.469705 5.292350 7.559626 6.589844 3.382589 2.148124 3.879007 1.084304 3.400192 2.154950 8.378750 8.542098 4.750652 4.822942 5.045211 7.417949 7.251251 8.504251 6.025291 7.778940 4.318952 8.415452 8.562138 6.972963 2.496354 4.961523 0.000000 6.991567 5.941520 6.642960 4.562151 5.917979 7.757189 4.546788 7.563319 4.886052 5.128958 6.104672 3.972831 5.507091 4.594266 6.609447 5.423358 6.784744 5.514594 6.390998 7.117038 5.225433 7.419826 5.284478 7.453446 6.491066 3.382933 3.879417 2.147668 3.400261 1.084318 2.155000 5.714582 7.018958 3.922819 3.063605 4.657476 6.056848 4.920210 6.337980 3.756051 7.766089 4.533860 8.347463 8.407323 6.821835 4.962948 2.494549 4.298139 0.000000 8.856029 8.150410 8.428986 6.453508 6.594011 8.174361 5.252602 7.121775 5.648540 6.432954 6.922747 4.310029 6.115503 6.200508 7.215799 7.266806 7.243629 7.480107 7.028774 7.059970 5.812834 8.227485 6.043872 8.378271 7.402505 3.855863 3.401323 3.400879 2.153235 2.153372 1.084171 7.179156 7.813103 4.328400 3.515330 4.421912 6.239064 5.607241 7.147919 5.293039 8.314060 4.887694 9.162140 9.408402 7.796875 4.308878 4.307232 2.482723 2.483091 0.000000 C23H19ClF3NO3 C1 1 C1 1 C1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 430.6992095999997 AuxInfo=1/0/N:9;10;11;12;13;14;15;16;17;18;19;20;21;22;23;24;25;26;27;28;29;30;31;1;2;3;4;8;5;6;7;32;33;34;35;36;37;38;39;40;41;42;43;44;45;46;47;48;49;50/rA:50nCl0F0F0F0O0O0O0N0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:3.8043,1.5294,-.9997;1.5876,3.1291,-2.3542;1.3013,3.1758,-.2023;-.0677,2.0451,-1.4556;.9119,-.8022,1.4845;2.3948,-1.9086,2.7689;-3.3092,1.3175,-.3871;-1.1266,-2.2063,3.8152;1.8409,-2.6778,-.7695;2.4355,-1.3079,-.9478;2.6059,-2.0459,.4018;.3387,-2.8762,-.7017;2.5616,-3.8261,-1.4531;1.6146,-.0889,-1.0762;1.9878,-1.6035,1.6662;2.0975,1.1502,-1.1427;.2314,-.2845,2.6512;1.2297,2.3671,-1.2896;-.6889,.813,2.1611;-.5175,-1.3717,3.3054;-1.5952,.513,1.1412;-.6039,2.0975,2.6876;-2.4103,1.5196,.6383;-1.4456,3.0934,2.1834;-2.3449,2.8138,1.1627;-3.3125,.0763,-1.0281;-4.1473,-.9317,-.5584;-2.5045,-.1087,-2.1452;-4.1647,-2.1585,-1.222;-2.5305,-1.3385,-2.8019;-3.3556,-2.3648,-2.3401;3.3723,-1.2632,-1.4937;3.594,-2.4504,.5815;-.1898,-2.0727,-.1941;-.0632,-2.9612,-1.7152;.114,-3.8069,-.1726;2.3831,-4.763,-.9168;2.1894,-3.9439,-2.4758;3.6406,-3.659,-1.5007;.5383,-.1912,-1.1356;.9615,.1011,3.3655;-1.6443,-.49,.7398;.1095,2.3234,3.4715;-1.3876,4.0998,2.5821;-2.9904,3.5822,.7536;-4.7616,-.7522,.3162;-1.8709,.7005,-2.486;-4.8102,-2.9522,-.8626;-1.905,-1.4927,-3.6741;-3.3704,-3.3208,-2.8514; 0.1519041 0.1288752 0.1159066 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= 804 RedAO= T EigKep= 1.29D-06 NBF= 804 NBsUse= 800 1.00D-06 EigRej= 9.40D-07 NBFU= 800 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= 829 829 829 829 829 MxSgAt= 50 MxSgA2= 50. 1 Closed 1 1 1 -1928.50148702754 -1928.50148702740 0.000000000141 -1928.50148703 2 1.921695283113e+03 -1.142400671527e+04 4.125530009720e+03 Using DIIS extrapolation, IDIIS= 1040. NGot= 1415577600 LenX= 1414167521 LenY= 1413469461 Requested convergence on RMS density matrix=1.00D-08 within 128 cycles. Requested convergence on MAX density matrix=1.00D-06. Requested convergence on energy=1.00D-06. No special actions if energy rises. Fock matrices will be formed incrementally for 20 cycles. Using compressed storage, NAtomX= 50. Will process 51 centers per pass. Symmetrizing basis deriv contribution to polar: IMax=3 JMax=2 DiffMx= 0.00D+00 Minotr: Closed shell wavefunction. IDoAtm=11111111111111111111111111111111111111111111111111 NEqPCM: Using equilibrium solvation (IEInf=0, Eps= 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. 15454 words used for storage of precomputed grid. Two-electron integrals replicated using symmetry. MDV= 1415577600 using IRadAn= 1. Solving linear equations simultaneously, MaxMat= 384. FoF2E skips out because all densities are zero. CalDSu exits because no D1Ps are significant. FoFJK: IHMeth= 1 ICntrl= 0 DoSepK=F KAlg= 0 I1Cent= 0 FoldK=F IRaf= 780000000 NMat= 150 IRICut= 375 DoRegI=T DoRafI=T ISym2E= 2 IDoP0=3 IntGTp=3. There are 153 degrees of freedom in the 1st order CPHF. IDoFFX=6 NUNeed= 3. 150 vectors produced by pass 0 Test12= 7.93D-14 1.00D-09 XBig12= 3.45D+02 6.32D+00. AX will form 150 AO Fock derivatives at one time. 150 vectors produced by pass 1 Test12= 7.93D-14 1.00D-09 XBig12= 6.17D+01 9.66D-01. 150 vectors produced by pass 2 Test12= 7.93D-14 1.00D-09 XBig12= 9.72D-01 7.19D-02. 150 vectors produced by pass 3 Test12= 7.93D-14 1.00D-09 XBig12= 4.80D-03 6.62D-03. 150 vectors produced by pass 4 Test12= 7.93D-14 1.00D-09 XBig12= 1.41D-05 2.76D-04. 141 vectors produced by pass 5 Test12= 7.93D-14 1.00D-09 XBig12= 2.65D-08 9.71D-06. 64 vectors produced by pass 6 Test12= 7.93D-14 1.00D-09 XBig12= 4.17D-11 3.41D-07. 3 vectors produced by pass 7 Test12= 7.93D-14 1.00D-09 XBig12= 5.73D-14 1.57D-08. InvSVY: IOpt=1 It= 1 EMax= 1.78D-14 Solved reduced A of dimension 958 with 153 vectors. FullF1: Do perturbations 1 to 3. Isotropic polarizability for W= 0.000000 394.54 Bohr**3. End of Minotr F.D. properties file 721 does not exist. 365.277 13.099 444.005 7.705 19.370 374.339 409.092 23.149 495.931 10.181 10.058 422.311 (Enter /usr/local/gaussian/gaussian16/g16/l716.exe) PT199572.900S 2024-10-10T05:56:30.000 -101.57462 -24.72975 -24.72438 -24.72346 -19.19287 -19.17172 -19.13176 -14.33433 -10.44864 -10.32568 -10.29230 -10.25914 -10.24993 -10.24096 -10.23320 -10.21523 -10.21223 -10.20705 -10.20633 -10.20567 -10.18567 -10.18458 -10.18332 -10.18321 -10.18290 -10.18216 -10.18209 -10.18194 -10.17935 -10.16375 -10.16271 -9.48912 -7.25383 -7.24389 -7.24353 -1.33252 -1.24666 -1.24050 -1.13465 -1.08925 -1.04523 -0.93460 -0.91251 -0.89341 -0.88035 -0.86467 -0.81715 -0.79797 -0.77139 -0.75956 -0.75511 -0.74950 -0.73839 -0.72708 -0.69736 -0.67875 -0.64957 -0.64354 -0.62432 -0.62298 -0.61505 -0.61074 -0.60830 -0.59152 -0.56302 -0.55935 -0.55244 -0.54925 -0.51891 -0.51061 -0.50625 -0.49614 -0.49006 -0.48771 -0.48390 -0.48170 -0.47884 -0.46921 -0.46069 -0.45404 -0.45335 -0.44990 -0.44675 -0.44326 -0.44012 -0.43208 -0.42902 -0.42530 -0.42290 -0.41626 -0.40869 -0.40256 -0.39615 -0.39489 -0.38924 -0.38551 -0.38348 -0.37952 -0.37490 -0.37292 -0.36793 -0.36203 -0.35694 -0.35246 -0.34806 -0.33860 -0.33804 -0.33768 -0.33060 -0.30960 -0.29095 -0.27171 -0.26905 -0.26543 -0.25860 -0.24276 -0.04988 -0.04469 -0.02288 -0.02094 -0.01773 -0.01695 -0.00657 0.00170 0.00299 0.00953 0.01567 0.01623 0.01984 0.02662 0.03108 0.03249 0.03471 0.03729 0.04385 0.04860 0.04998 0.05063 0.05499 0.05911 0.06003 0.06561 0.06959 0.07006 0.07501 0.07820 0.07990 0.08324 0.08737 0.08903 0.09300 0.09884 0.09948 0.10132 0.10340 0.10620 0.10923 0.11348 0.11475 0.11894 0.12048 0.12169 0.12349 0.12820 0.12935 0.13411 0.13496 0.13745 0.13901 0.14022 0.14200 0.14346 0.14715 0.15192 0.15543 0.15724 0.15783 0.16046 0.16275 0.16455 0.16529 0.16980 0.17392 0.17527 0.17740 0.18033 0.18206 0.18385 0.18667 0.18794 0.18999 0.19248 0.19705 0.19826 0.20131 0.20143 0.20431 0.20655 0.20952 0.21061 0.21184 0.21325 0.21606 0.21651 0.21874 0.22089 0.22477 0.22773 0.22857 0.22953 0.23120 0.23387 0.23543 0.23630 0.24123 0.24369 0.24398 0.24606 0.24749 0.25126 0.25197 0.25470 0.25552 0.25871 0.26164 0.26184 0.26440 0.26706 0.26777 0.26921 0.27237 0.27429 0.27923 0.28049 0.28295 0.28515 0.28928 0.29144 0.29422 0.29690 0.29856 0.30003 0.30648 0.30929 0.31202 0.31388 0.31870 0.32237 0.32345 0.32476 0.33067 0.33436 0.33518 0.33820 0.34225 0.34603 0.34648 0.35086 0.35196 0.35440 0.35889 0.36346 0.36706 0.37149 0.37376 0.37672 0.37996 0.38435 0.38706 0.39085 0.39329 0.39553 0.40164 0.40606 0.40820 0.40972 0.41719 0.42078 0.42600 0.43622 0.43705 0.44146 0.44209 0.45271 0.45528 0.46087 0.46515 0.46954 0.47566 0.48220 0.48636 0.49283 0.49796 0.50409 0.50522 0.51102 0.51587 0.52200 0.53108 0.53866 0.54307 0.55154 0.55447 0.55881 0.56245 0.56533 0.57160 0.57333 0.57894 0.58197 0.58618 0.58976 0.59578 0.60292 0.60453 0.61128 0.61750 0.62012 0.62253 0.62801 0.63323 0.63771 0.63836 0.64815 0.65346 0.65441 0.65524 0.65773 0.66769 0.66881 0.67304 0.67688 0.67948 0.68447 0.68774 0.68891 0.69047 0.69655 0.70196 0.70353 0.70711 0.70749 0.71405 0.71522 0.71718 0.72238 0.72633 0.73252 0.73705 0.74175 0.74403 0.74894 0.75166 0.75523 0.76002 0.76682 0.76973 0.77423 0.77983 0.78155 0.78532 0.78826 0.79249 0.79903 0.80163 0.81024 0.81197 0.81564 0.82255 0.82811 0.83208 0.83640 0.83930 0.84618 0.84845 0.85460 0.85778 0.86389 0.86951 0.87773 0.87902 0.88483 0.88987 0.89616 0.90367 0.91345 0.91668 0.91804 0.91974 0.92339 0.94002 0.94460 0.95375 0.95874 0.96613 0.96806 0.97589 0.99035 0.99237 0.99589 1.00442 1.01114 1.01747 1.02146 1.02651 1.03656 1.03852 1.04175 1.04847 1.06184 1.06208 1.07100 1.07597 1.07922 1.08440 1.09073 1.10421 1.10741 1.11271 1.12070 1.12828 1.14234 1.14601 1.15601 1.16304 1.17575 1.18103 1.18503 1.19432 1.20448 1.21065 1.21699 1.23532 1.23673 1.25283 1.25849 1.26110 1.27666 1.29143 1.30072 1.31426 1.31508 1.32140 1.33895 1.34821 1.36643 1.37320 1.37536 1.38239 1.38533 1.39966 1.40644 1.40993 1.42788 1.43259 1.44285 1.44562 1.45234 1.46480 1.47331 1.47660 1.47901 1.48620 1.49295 1.49779 1.51004 1.51683 1.52197 1.52353 1.52484 1.53259 1.53841 1.54365 1.55138 1.55186 1.55826 1.56586 1.56958 1.57498 1.57781 1.58276 1.58616 1.58993 1.59855 1.60134 1.60697 1.61340 1.61923 1.62142 1.63808 1.64889 1.65328 1.65590 1.66147 1.66780 1.67307 1.67720 1.68066 1.68172 1.68932 1.69533 1.70493 1.70853 1.71518 1.72551 1.73444 1.73643 1.75219 1.75652 1.75840 1.76382 1.76955 1.77771 1.78914 1.79178 1.79748 1.80883 1.81432 1.81849 1.82640 1.83781 1.84251 1.85257 1.85802 1.87249 1.87602 1.88421 1.89051 1.89680 1.90373 1.90845 1.92361 1.92427 1.93131 1.93555 1.93912 1.94316 1.95277 1.96165 1.96600 1.97358 1.97897 1.98622 1.99318 1.99791 2.00739 2.00907 2.01813 2.02517 2.03086 2.03532 2.04337 2.04902 2.05609 2.06462 2.07811 2.08380 2.08631 2.10006 2.10337 2.10964 2.11680 2.11745 2.12417 2.13200 2.14513 2.14944 2.16665 2.18225 2.19530 2.19729 2.21508 2.23101 2.23449 2.24194 2.26208 2.27104 2.28908 2.29405 2.29966 2.32432 2.33492 2.34190 2.35344 2.36419 2.39169 2.41264 2.41822 2.42149 2.43062 2.44387 2.45058 2.46330 2.46636 2.48188 2.48475 2.49601 2.50791 2.51007 2.52462 2.53185 2.55187 2.56145 2.57889 2.58470 2.61524 2.62011 2.62857 2.65107 2.65701 2.66093 2.66525 2.67821 2.69187 2.71686 2.71746 2.72663 2.73447 2.74480 2.75064 2.75442 2.76406 2.76910 2.77104 2.77681 2.78094 2.78936 2.79085 2.79929 2.80029 2.80202 2.81250 2.81701 2.82342 2.82549 2.83337 2.84337 2.84602 2.85296 2.85397 2.87559 2.88304 2.89078 2.89402 2.89982 2.90334 2.90778 2.92202 2.93085 2.93673 2.94163 2.95224 2.95598 2.96754 2.97920 2.98185 2.98495 2.99782 3.01213 3.02773 3.03436 3.04666 3.06921 3.07878 3.09086 3.11132 3.11675 3.12279 3.13218 3.13832 3.15065 3.16335 3.16962 3.18333 3.19420 3.20198 3.22206 3.22985 3.25218 3.26820 3.29074 3.33389 3.33781 3.35259 3.35861 3.37812 3.38235 3.40578 3.43182 3.44458 3.45043 3.53307 3.54318 3.55096 3.55809 3.58231 3.60175 3.63490 3.63876 3.66609 3.67857 3.69864 3.70618 3.71691 3.73826 3.73951 3.74347 3.76330 3.77219 3.78364 3.79603 3.80955 3.82584 3.84738 3.86073 3.88946 3.90331 3.91955 3.95084 3.98902 4.00858 4.01547 4.02383 4.03377 4.03599 4.09885 4.10094 4.11303 4.13564 4.15195 4.15680 4.15892 4.17256 4.18482 4.19496 4.19887 4.26695 4.30894 4.37446 4.55470 4.57591 4.65568 4.70732 4.83806 4.85694 4.92379 4.96697 5.10459 5.14190 5.17252 5.23770 5.45461 5.47092 5.65087 5.88056 5.89147 6.32934 6.37838 6.38893 6.41289 6.43596 6.46903 6.50115 6.73334 6.81508 9.81469 23.52131 23.61867 23.64103 23.67762 23.79299 23.80752 23.87521 23.88517 23.94836 23.95702 23.96412 23.97732 23.98603 24.00300 24.02304 24.07700 24.07954 24.09205 24.09872 24.18387 24.19472 24.22051 24.34925 25.92319 26.21532 26.72440 35.87552 49.94134 49.99106 50.01551 66.75836 66.78209 66.83061 215.81477 1-A. Mulliken charges: 1 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 50 Cl F F 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 C H H H H H H H H H H H H H H H H H H H 0.468225 -0.071262 -0.036041 -0.053054 0.152121 -0.295151 -0.072456 -0.309408 -0.132380 -0.064027 -0.209958 -0.785036 -0.160748 -0.098268 -0.088724 -0.045057 0.264259 -0.149435 0.624935 -0.382370 -0.065180 -0.514847 -0.529383 -0.034626 -0.016936 -0.205962 -0.177868 0.063621 -0.145034 -0.118153 -0.188633 0.206936 0.208482 0.130688 0.176199 0.173388 0.172724 0.168218 0.160040 0.197174 0.250312 0.218614 0.155800 0.166766 0.161953 0.163368 0.178129 0.165197 0.163694 0.159155 -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 30 31 Cl F F 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 C 0.468225 -0.071262 -0.036041 -0.053054 0.152121 -0.295151 -0.072456 -0.309408 -0.132380 0.142909 -0.001476 -0.304761 0.340233 0.098906 -0.088724 -0.045057 0.514570 -0.149435 0.624935 -0.382370 0.153434 -0.359047 -0.529383 0.132140 0.145017 -0.205962 -0.014500 0.241750 0.020163 0.045541 -0.029478 -0.00000 3.15769475e-01 -5.74043997e-01 -1.95656951e+00 3.65276972e+02 1.30986871e+01 4.44004782e+02 7.70491366e+00 1.93696930e+01 3.74339196e+02 -9.2762 0.0011 0.0015 0.0019 3.9037 6.8146 15.9722 21.2325 28.5053 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 50 51 52 53 54 55 56 57 58 59 60 61 62 63 64 65 66 67 68 69 70 71 72 73 74 75 76 77 78 79 80 81 82 83 84 85 86 87 88 89 90 91 92 93 94 95 96 97 98 99 100 101 102 103 104 105 106 107 108 109 110 111 112 113 114 115 116 117 118 119 120 121 122 123 124 125 126 127 128 129 130 131 132 133 134 135 136 137 138 139 140 141 142 143 144 A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A 15.2268 20.9619 28.4463 38.2061 41.0864 42.7246 43.0893 51.8211 60.1807 63.0206 68.1193 98.3908 102.8263 129.7602 138.0279 174.6112 177.4216 202.6818 215.4184 217.4254 226.9822 236.2049 251.1927 270.2469 277.3037 285.8137 304.7217 322.7428 366.2544 368.8223 390.0371 400.3702 409.1236 424.2607 434.4011 463.9193 475.8115 477.8286 487.3651 490.1716 534.6736 545.3277 579.6580 591.7920 614.3970 618.3035 627.5784 629.5088 645.2488 651.3591 670.8504 706.7433 708.8169 715.5780 730.2471 764.1551 793.4057 801.5761 807.6447 824.1341 846.6665 850.7053 872.8338 903.5242 908.9364 916.1448 932.5436 935.1813 943.0558 963.7495 975.0709 985.0024 990.8401 995.2118 1008.0646 1010.2342 1014.4636 1015.2936 1019.4145 1024.1286 1039.8151 1059.0567 1063.1276 1086.2354 1092.8748 1105.7964 1107.3980 1140.5343 1170.8649 1176.7172 1177.1545 1180.4287 1186.9864 1221.1591 1223.3417 1251.0907 1258.7509 1281.0204 1294.2037 1317.4795 1330.6843 1338.0495 1340.6716 1349.5652 1357.6360 1365.9262 1377.3349 1414.9484 1424.3747 1437.1984 1472.3056 1474.7998 1476.3435 1483.3153 1496.9943 1512.3122 1514.2401 1518.9518 1622.2712 1629.5192 1637.7803 1639.2933 1700.5638 1718.1971 2351.0103 3020.7742 3037.6273 3082.8630 3089.2022 3096.5884 3097.6089 3141.7657 3164.3553 3168.1683 3176.3772 3177.1088 3178.6629 3187.3571 3187.8657 3195.7260 3197.2915 3197.4441 3205.7704 3219.1408 5.9887 12.5931 7.1647 7.4122 7.1362 7.0652 7.2342 5.7601 8.3119 7.3737 8.0726 6.0408 6.5339 5.1927 3.9044 2.5877 3.9471 5.2393 6.0746 4.5930 1.5543 3.2584 6.4991 4.2063 1.7976 5.4235 4.8165 5.0906 7.5485 7.6483 3.4385 3.8192 5.7368 2.9613 6.7221 3.9067 4.1927 3.5177 4.4265 5.4583 4.8228 13.7447 7.0417 6.0468 5.1880 8.2147 5.1651 5.3021 6.3282 6.6844 4.7656 1.8021 2.1855 8.5508 5.3137 3.1946 2.7126 2.1774 2.5240 4.3550 1.2541 5.0106 4.6836 1.5480 1.4520 1.6221 2.6937 2.1129 4.4485 2.6934 2.0780 1.3963 1.3687 1.3306 2.8749 1.3944 5.4820 4.3645 3.7499 1.6735 2.0559 8.0894 2.2975 1.3399 1.4989 1.9722 4.0594 1.7287 1.7448 1.1087 2.8110 1.2176 1.1599 3.4056 2.5338 2.9339 7.5985 2.3702 2.2566 2.4982 1.7998 1.3522 2.0921 1.4405 1.3864 2.6344 1.6243 1.2747 1.4124 1.6989 2.7547 1.0734 2.1252 1.0508 1.1281 2.0633 1.1914 2.3311 5.8180 6.2516 6.4641 5.8247 7.3942 11.5089 12.6765 1.0355 1.0429 1.1025 1.1018 1.1028 1.0849 1.0878 1.0924 1.0867 1.0879 1.0901 1.0892 1.0938 1.0923 1.0968 1.0973 1.0886 1.0945 1.0893 0.0008 0.0033 0.0034 0.0064 0.0071 0.0076 0.0079 0.0091 0.0177 0.0173 0.0221 0.0345 0.0407 0.0515 0.0438 0.0465 0.0732 0.1268 0.1661 0.1279 0.0472 0.1071 0.2416 0.1810 0.0814 0.2610 0.2635 0.3124 0.5966 0.6130 0.3082 0.3607 0.5658 0.3141 0.7474 0.4954 0.5593 0.4732 0.6195 0.7727 0.8123 2.4082 1.3940 1.2477 1.1539 1.8503 1.1986 1.2379 1.5523 1.6709 1.2636 0.5303 0.6469 2.5797 1.6695 1.0991 1.0061 0.8243 0.9700 1.7428 0.5297 2.1365 2.1023 0.7446 0.7068 0.8022 1.3802 1.0888 2.3310 1.4740 1.1640 0.7982 0.7917 0.7765 1.7213 0.8385 3.3240 2.6507 2.2960 1.0342 1.3097 5.3457 1.5299 0.9315 1.0548 1.4209 2.9331 1.3249 1.4093 0.9045 2.2949 0.9996 0.9629 2.9922 2.2341 2.7056 7.0934 2.2916 2.2269 2.5548 1.8777 1.4263 2.2155 1.5458 1.5056 2.8960 1.8155 1.5037 1.6883 2.0675 3.5182 1.3755 2.7292 1.3622 1.4895 2.7803 1.6096 3.1689 9.0214 9.7806 10.2157 9.2222 12.5987 20.0184 41.2817 5.5669 5.6695 6.1735 6.1948 6.2303 6.1331 6.3265 6.4445 6.4267 6.4670 6.4828 6.4838 6.5473 6.5401 6.5995 6.6090 6.5576 6.6269 6.6510 1.1951 2.1490 0.1854 1.3356 0.6281 2.6430 0.1576 1.4406 2.7989 1.5342 1.8029 0.4667 1.8340 0.9723 2.3444 0.6728 1.5355 0.6486 1.4424 0.8564 0.4524 8.3343 13.0080 3.5725 1.5820 6.1500 6.2388 0.2578 1.2863 0.5793 5.2726 16.5347 7.4977 0.6413 14.3350 0.6147 5.9668 4.5926 20.5907 5.3948 10.8038 5.7689 1.2057 1.6361 1.9980 8.0700 3.6429 4.4625 32.6721 3.3714 5.5143 87.9436 41.1070 31.3950 23.6380 8.0419 19.4560 94.4133 78.6098 40.5917 0.3766 13.6739 20.8895 54.0496 3.4215 30.8750 31.6899 12.4799 102.8896 91.9506 46.6400 8.2023 0.2587 2.0541 102.7924 21.2743 2.2296 34.4889 37.8771 107.4755 20.7854 334.9497 174.7147 109.8469 11.2276 82.5880 355.7243 60.5653 38.3870 0.0700 5.5736 60.4469 8.2714 228.3909 250.4006 386.2612 294.1165 465.7295 65.8478 2.6064 4.9756 5.7738 0.0310 14.4235 1.6686 61.2597 70.9524 16.0920 15.7616 6.7233 58.5870 1.2335 4.1162 12.3006 12.5618 172.3218 23.6871 39.5372 160.4552 10.9243 10.2600 67.8472 70.6972 850.2595 17.3912 39.1211 41.9405 19.3912 43.6996 37.4780 2.6150 1.5105 13.5659 0.0855 3.5491 11.1853 1.3672 21.4666 6.9715 5.2298 6.1131 14.0544 0.8295 2.4032 0.01 -0.07 -0.06 0.01 -0.00 0.00 0.11 0.02 0.01 0.01 0.06 0.08 -0.03 0.00 -0.00 0.02 0.04 -0.02 -0.12 -0.09 0.10 0.08 0.10 0.16 -0.10 -0.01 -0.01 -0.07 -0.02 -0.03 -0.06 -0.02 -0.03 -0.10 0.02 0.02 -0.14 -0.03 -0.02 -0.04 -0.00 -0.01 -0.02 0.01 -0.02 -0.01 -0.01 -0.01 0.02 0.05 0.01 0.03 0.01 0.02 -0.01 0.02 0.01 0.05 0.07 0.09 -0.05 -0.02 0.05 -0.00 0.04 -0.03 -0.08 -0.04 0.06 -0.04 0.01 -0.03 -0.07 -0.03 0.02 -0.01 -0.05 0.03 0.05 -0.14 -0.06 0.03 0.08 0.03 0.16 -0.10 -0.14 0.14 0.12 -0.04 0.20 0.03 -0.13 -0.08 -0.05 -0.05 -0.07 -0.04 -0.04 -0.08 0.04 0.00 -0.12 0.00 0.02 -0.11 0.04 0.04 -0.15 -0.02 -0.01 -0.16 -0.03 -0.01 -0.13 -0.05 -0.04 -0.05 0.03 0.02 0.05 0.08 -0.04 -0.05 -0.03 0.09 0.03 0.07 -0.07 -0.03 0.03 -0.06 -0.10 -0.04 0.02 0.02 -0.24 -0.06 -0.02 0.15 0.10 0.21 -0.17 -0.20 0.17 0.23 -0.04 0.29 0.06 -0.19 -0.08 -0.06 0.38 0.12 0.06 0.15 -0.18 -0.11 0.12 -0.01 -0.01 -0.16 0.02 0.01 -0.10 0.10 0.09 -0.12 -0.00 -0.01 -0.02 0.15 0.16 0.12 -0.05 -0.04 -0.09 -0.06 -0.05 -0.13 -0.01 -0.02 -0.12 -0.05 -0.03 -0.04 -0.08 -0.06 -0.08 -0.06 -0.04 -0.13 0.04 0.03 -0.11 -0.06 -0.03 0.07 0.09 0.08 -0.09 -0.03 -0.02 0.04 0.07 0.06 -0.08 0.13 0.12 0.03 0.05 0.03 -0.06 0.06 0.07 -0.10 0.02 0.01 -0.05 0.02 0.04 -0.08 0.00 0.02 -0.06 -0.00 -0.02 -0.00 0.03 -0.03 0.04 -0.04 -0.03 -0.03 0.03 -0.04 0.06 -0.04 -0.04 -0.00 -0.01 -0.05 0.04 -0.07 -0.05 -0.16 -0.01 -0.02 -0.14 -0.03 -0.00 -0.07 -0.08 -0.07 -0.03 -0.04 -0.00 0.00 -0.07 -0.04 -0.06 -0.11 -0.08 -0.07 -0.08 -0.06 -0.12 -0.05 -0.05 -0.30 0.14 0.11 -0.15 0.05 0.03 -0.04 0.07 0.09 -0.12 0.01 0.05 -0.09 -0.02 0.00 -0.05 0.05 -0.02 0.06 -0.06 -0.03 -0.06 0.05 -0.04 0.10 -0.06 -0.05 -0.02 -0.01 -0.06 0.06 -0.11 -0.02 -0.04 -0.12 -0.04 -0.01 -0.14 -0.07 -0.01 -0.11 -0.07 -0.04 0.01 0.01 0.03 0.02 -0.01 0.01 0.16 0.09 -0.08 0.01 -0.01 0.01 -0.02 -0.04 0.04 -0.05 -0.03 0.00 -0.00 -0.00 0.01 -0.01 -0.07 0.08 -0.01 -0.04 0.05 -0.08 -0.05 -0.01 0.01 0.00 0.02 -0.10 -0.05 -0.03 0.02 -0.00 0.03 -0.12 -0.06 -0.02 0.02 0.01 0.05 0.01 -0.00 0.02 0.08 0.05 -0.02 -0.04 -0.02 0.13 0.09 0.05 -0.01 -0.04 -0.01 0.14 0.02 0.02 0.07 0.14 0.09 -0.07 0.22 0.06 0.01 0.05 0.11 -0.14 0.22 0.05 0.03 0.04 0.10 -0.13 0.13 0.07 -0.04 -0.07 -0.03 -0.02 0.01 0.02 -0.00 -0.01 -0.08 0.09 -0.04 -0.09 0.09 0.02 -0.07 0.09 0.02 -0.04 0.07 -0.03 -0.07 0.06 -0.01 -0.02 0.02 -0.08 -0.07 0.01 0.02 -0.01 0.04 0.13 0.07 -0.07 -0.09 -0.04 0.18 -0.09 -0.03 0.20 0.03 0.03 0.08 0.29 0.04 0.06 -0.01 0.13 -0.21 0.28 0.03 0.09 -0.03 0.12 -0.18 0.12 0.07 -0.03 -0.02 0.06 -0.07 -0.08 0.04 0.05 -0.00 0.04 0.07 -0.04 0.03 0.11 -0.11 -0.14 0.02 -0.06 -0.10 -0.01 0.13 0.01 -0.11 -0.05 0.16 0.28 -0.03 0.02 -0.09 -0.02 0.04 0.03 -0.08 -0.06 -0.02 -0.03 0.02 -0.16 0.00 0.08 -0.15 -0.02 0.04 0.07 -0.09 -0.11 -0.00 -0.02 0.04 0.03 -0.01 -0.03 0.02 -0.04 0.04 0.07 0.02 -0.01 -0.01 -0.03 0.07 0.16 0.04 -0.01 -0.02 0.04 -0.00 -0.03 0.08 0.00 -0.07 0.08 0.01 -0.07 0.10 0.01 -0.10 0.09 -0.02 -0.05 0.04 0.03 -0.02 0.11 -0.11 -0.03 0.01 0.00 0.05 0.07 -0.15 0.04 0.02 -0.09 0.07 -0.00 0.07 0.06 -0.08 -0.07 -0.01 -0.06 -0.02 -0.13 0.01 0.08 -0.19 -0.05 -0.02 -0.23 -0.02 0.03 -0.23 0.04 0.16 -0.17 0.00 0.08 -0.08 -0.02 0.05 0.13 0.05 -0.01 -0.05 0.03 -0.02 -0.00 0.03 -0.00 -0.02 0.09 0.01 -0.09 0.14 0.02 -0.14 0.03 0.10 -0.04 0.15 -0.16 -0.05 -0.03 0.04 0.07 0.08 -0.22 0.06 -0.01 -0.12 0.12 -0.02 -0.06 -0.13 -0.04 0.12 0.19 -0.01 -0.13 0.20 -0.04 0.03 0.09 0.05 0.06 -0.01 0.10 0.13 -0.02 0.04 0.01 -0.06 0.04 -0.06 -0.12 -0.03 -0.02 0.05 -0.06 -0.02 -0.05 0.03 0.05 -0.02 -0.03 -0.04 0.15 -0.06 -0.05 0.07 -0.05 -0.02 -0.03 0.07 0.09 -0.01 -0.04 -0.02 -0.04 0.01 0.02 -0.02 -0.03 -0.00 0.11 -0.00 0.01 -0.02 0.02 -0.02 -0.07 0.00 0.01 -0.02 -0.00 0.02 -0.03 0.02 0.01 -0.04 0.01 0.02 -0.04 0.02 0.02 -0.06 0.03 -0.00 -0.04 -0.10 0.07 -0.11 0.14 -0.09 0.06 -0.12 0.06 -0.09 0.13 -0.10 0.08 -0.01 -0.03 0.01 -0.09 -0.04 -0.10 0.04 0.06 -0.05 -0.01 -0.01 0.11 -0.08 -0.12 0.17 0.02 -0.00 0.23 -0.02 -0.02 0.13 -0.11 -0.10 0.10 -0.06 -0.04 -0.00 -0.06 -0.01 0.04 -0.02 0.02 0.01 -0.01 0.00 -0.01 -0.00 0.02 -0.03 0.01 0.02 -0.05 0.03 0.02 -0.07 -0.18 0.14 -0.19 0.24 -0.14 0.11 -0.22 0.12 -0.15 0.22 -0.17 0.16 -0.02 -0.04 0.03 0.03 0.01 -0.06 -0.03 -0.01 0.05 -0.02 -0.08 0.05 0.01 -0.08 0.02 -0.05 -0.10 -0.00 0.12 0.15 0.03 -0.02 0.01 -0.00 0.09 0.12 0.27 0.09 -0.03 0.02 0.08 -0.02 0.03 0.05 -0.02 0.04 0.09 -0.06 -0.04 0.14 -0.02 0.04 0.06 -0.04 0.02 0.04 0.02 0.02 0.03 -0.03 -0.00 0.02 0.00 -0.01 -0.00 -0.05 0.03 0.01 -0.02 -0.03 0.06 0.06 0.13 0.01 -0.01 -0.04 -0.03 -0.03 0.01 -0.02 -0.02 0.00 -0.06 -0.04 0.05 -0.05 -0.03 0.04 -0.05 0.03 -0.04 -0.08 0.04 -0.07 -0.09 0.05 -0.07 -0.16 0.07 -0.13 -0.16 0.09 -0.13 -0.20 0.10 -0.17 0.09 -0.01 0.05 0.05 0.00 0.06 0.06 -0.08 -0.04 0.13 -0.05 -0.06 0.09 -0.07 -0.06 0.14 -0.02 0.04 0.18 -0.03 0.03 0.14 0.00 0.08 0.06 -0.05 0.05 0.07 0.05 -0.09 0.04 -0.00 -0.07 -0.04 -0.04 0.02 -0.09 -0.05 0.08 -0.08 -0.04 0.07 -0.05 0.02 -0.04 -0.07 0.05 -0.05 -0.18 0.08 -0.16 -0.19 0.11 -0.16 -0.26 0.13 -0.23 -0.09 0.02 0.14 -0.13 -0.15 -0.16 0.00 0.13 -0.14 -0.09 -0.01 0.09 0.01 -0.05 0.02 0.10 0.04 0.00 0.01 -0.01 0.05 0.03 -0.05 0.02 0.00 -0.00 0.02 -0.03 0.01 0.00 0.03 0.01 -0.00 0.01 -0.04 0.07 0.01 0.01 -0.00 -0.06 -0.01 0.01 0.05 0.00 0.01 -0.08 0.00 0.06 0.02 -0.04 0.02 -0.08 -0.01 -0.03 0.04 -0.04 0.02 0.02 -0.05 0.02 -0.00 -0.04 0.05 0.11 -0.02 -0.04 0.04 -0.01 0.02 0.15 0.01 -0.07 0.12 0.01 -0.04 0.02 0.01 0.00 -0.10 0.06 -0.13 0.13 -0.00 0.09 -0.12 0.08 -0.19 0.12 0.03 0.04 -0.01 0.07 -0.10 -0.05 0.03 -0.02 0.04 0.03 -0.03 0.00 -0.04 0.06 -0.01 -0.08 0.08 0.05 -0.03 0.10 0.04 0.01 0.00 -0.02 0.00 0.01 0.00 0.03 -0.03 -0.06 -0.03 -0.04 0.02 -0.05 0.03 -0.06 -0.05 0.09 0.15 -0.02 -0.07 0.22 0.02 -0.12 0.16 0.02 -0.06 -0.19 0.07 -0.19 0.22 -0.03 0.18 -0.22 0.12 -0.29 0.21 0.02 0.10 -0.03 0.09 -0.14 0.02 -0.04 0.02 0.10 -0.01 -0.09 0.05 0.05 -0.10 0.04 0.06 -0.09 -0.05 -0.01 -0.01 0.03 0.08 -0.04 0.07 0.03 -0.06 0.09 -0.02 0.11 -0.04 0.01 -0.03 -0.03 0.00 -0.04 -0.03 0.01 -0.04 -0.04 0.01 -0.03 -0.04 0.00 -0.02 -0.02 0.02 -0.05 -0.01 0.03 -0.03 0.01 0.01 -0.03 -0.01 -0.01 0.01 0.05 0.03 -0.08 -0.05 -0.02 0.05 0.04 -0.02 0.06 0.01 0.00 -0.01 -0.16 -0.06 0.16 -0.01 0.00 0.01 -0.19 -0.07 0.20 -0.12 -0.04 0.12 0.05 0.02 -0.03 -0.05 0.09 -0.06 0.13 -0.08 0.05 -0.07 0.06 -0.01 0.11 -0.10 0.09 0.01 -0.03 0.07 -0.03 -0.01 -0.04 -0.03 0.01 -0.04 -0.04 0.03 -0.06 -0.03 -0.02 -0.03 -0.04 0.03 0.00 -0.05 0.01 -0.02 -0.04 -0.00 -0.02 -0.04 -0.00 -0.02 -0.02 0.03 -0.08 0.01 0.01 -0.03 0.08 0.03 -0.09 -0.21 -0.08 0.22 -0.28 -0.10 0.29 -0.14 -0.04 0.15 -0.11 0.16 -0.11 0.21 -0.13 0.07 -0.15 0.12 -0.03 0.18 -0.18 0.15 -0.01 -0.05 0.10 0.01 -0.05 0.07 -0.07 -0.08 -0.04 0.24 0.13 0.00 0.00 0.09 0.29 -0.02 -0.02 -0.02 0.15 0.20 -0.02 0.08 0.01 -0.13 0.02 -0.07 -0.06 -0.05 0.01 0.00 -0.05 -0.00 -0.04 -0.01 0.02 -0.03 -0.05 0.02 0.04 -0.08 -0.01 0.00 -0.03 0.02 0.01 0.05 0.08 -0.02 0.00 0.01 0.07 -0.02 -0.02 -0.02 0.04 0.04 0.09 -0.03 -0.02 -0.02 -0.01 -0.04 -0.04 0.00 -0.01 -0.05 -0.05 -0.03 -0.00 0.02 -0.01 -0.07 -0.05 -0.03 -0.02 -0.01 -0.02 -0.05 0.02 -0.02 -0.07 0.11 -0.02 0.07 -0.12 -0.04 -0.17 0.05 -0.05 0.12 -0.18 -0.06 -0.13 -0.10 -0.06 0.02 -0.07 -0.01 -0.07 -0.00 0.01 -0.06 -0.04 0.04 0.02 -0.07 -0.02 0.05 -0.05 0.04 0.08 -0.08 0.00 0.02 -0.11 -0.02 0.01 -0.08 -0.02 -0.03 -0.03 0.04 0.01 -0.03 -0.01 -0.02 0.02 -0.01 -0.06 -0.08 -0.03 0.02 -0.06 -0.03 -0.00 0.00 -0.01 -0.07 0.22 -0.00 0.15 -0.17 -0.03 -0.27 0.12 -0.05 0.24 -0.29 -0.08 -0.20 -0.14 -0.08 0.05 -0.00 -0.02 0.04 -0.16 -0.11 -0.01 0.10 -0.03 0.02 -0.04 -0.09 0.23 0.03 0.05 -0.10 -0.11 -0.08 -0.05 -0.07 0.06 0.01 -0.02 0.14 -0.08 0.09 -0.06 -0.06 0.07 -0.05 -0.05 0.03 -0.03 -0.04 0.10 -0.09 -0.10 0.15 -0.05 -0.02 0.04 -0.07 -0.05 -0.03 -0.03 -0.06 0.01 -0.05 0.01 0.04 0.08 -0.11 -0.02 -0.07 0.06 0.02 0.08 -0.09 0.01 0.11 -0.09 0.02 0.08 -0.09 -0.04 0.05 -0.02 -0.06 0.06 -0.00 -0.12 0.03 0.07 -0.14 0.03 0.08 -0.04 0.05 0.01 -0.05 0.06 -0.01 0.03 0.03 0.07 0.01 0.03 0.04 0.10 0.01 0.11 0.09 0.01 0.10 0.08 -0.03 -0.02 0.03 -0.01 0.01 0.07 -0.11 -0.09 0.12 -0.07 -0.11 0.10 -0.10 -0.12 0.16 -0.05 -0.01 0.18 -0.07 -0.03 0.14 -0.02 0.02 0.05 -0.10 -0.08 0.04 0.08 -0.12 0.08 0.10 -0.15 -0.05 0.05 -0.01 -0.18 0.00 0.13 -0.21 0.01 0.15 -0.11 0.07 -0.05 0.04 0.03 0.08 0.01 0.03 0.03 0.16 -0.01 0.16 0.15 -0.02 0.14 -0.00 -0.02 -0.02 0.03 0.01 0.01 -0.03 -0.04 0.00 0.01 -0.01 -0.06 -0.18 -0.21 -0.04 0.20 0.32 -0.02 -0.08 0.07 0.04 -0.22 -0.02 -0.00 0.04 -0.02 -0.03 0.01 -0.01 -0.02 -0.01 -0.01 -0.01 0.04 -0.06 -0.10 0.10 0.00 -0.00 -0.00 -0.02 -0.02 0.01 0.05 -0.02 0.00 -0.02 -0.02 -0.11 -0.12 -0.04 0.00 -0.01 -0.02 -0.04 -0.06 -0.03 -0.18 -0.06 -0.01 -0.08 -0.01 -0.01 0.04 -0.06 -0.03 -0.04 0.04 0.01 0.09 -0.02 -0.02 0.05 0.03 0.01 -0.05 0.07 0.03 -0.00 0.03 0.05 -0.02 0.09 0.06 0.11 0.00 0.10 0.10 0.06 0.11 0.17 0.01 0.14 0.02 0.01 0.00 0.01 0.03 0.00 -0.02 -0.05 -0.17 0.10 -0.13 -0.12 0.04 -0.04 -0.06 0.10 -0.00 -0.01 0.15 -0.00 -0.02 0.10 0.03 0.05 0.00 -0.02 -0.03 -0.07 -0.16 -0.06 -0.12 -0.00 -0.02 0.07 -0.11 -0.04 0.16 -0.02 -0.02 0.08 0.07 0.02 -0.03 0.02 0.03 -0.06 0.12 0.05 0.17 -0.03 0.12 0.14 0.07 0.14 0.27 -0.02 0.19 0.06 0.11 0.02 -0.10 -0.05 -0.00 -0.06 -0.06 0.00 0.01 -0.18 0.03 -0.03 0.03 -0.01 -0.02 0.09 0.02 -0.01 0.05 -0.04 0.25 -0.19 0.02 -0.06 0.01 -0.01 0.08 -0.04 0.02 -0.06 -0.06 0.03 -0.09 0.18 -0.13 -0.15 -0.07 0.04 0.13 -0.02 -0.01 -0.04 0.03 0.01 0.09 -0.00 0.00 -0.04 0.01 0.00 -0.01 -0.07 0.01 -0.07 -0.01 0.02 0.08 -0.07 0.01 -0.08 0.00 0.03 -0.03 0.00 -0.01 -0.03 0.03 -0.01 0.02 0.02 -0.04 0.02 0.04 -0.05 -0.01 0.04 -0.03 -0.01 0.05 -0.02 0.01 0.03 -0.01 0.03 0.03 0.02 0.04 0.01 0.03 0.06 0.00 0.05 0.12 -0.09 0.08 -0.10 -0.15 0.06 -0.03 0.16 -0.06 -0.03 0.35 -0.17 -0.22 0.13 -0.26 -0.27 -0.04 0.04 -0.11 -0.04 0.02 -0.13 -0.19 0.09 0.13 -0.02 -0.03 -0.04 0.04 -0.01 -0.11 -0.00 0.04 -0.01 -0.00 -0.02 0.06 0.03 -0.07 0.07 0.06 -0.09 -0.03 0.06 -0.03 0.00 0.03 -0.02 0.03 0.03 0.03 0.06 -0.01 0.04 0.09 -0.01 0.08 -0.04 -0.08 -0.01 0.05 0.04 0.01 0.06 0.02 0.01 -0.01 0.11 -0.00 -0.06 0.02 -0.03 -0.16 -0.08 -0.01 -0.04 0.07 -0.04 0.30 -0.19 0.14 0.07 -0.02 0.01 -0.04 0.02 -0.01 0.01 0.07 0.00 0.09 -0.14 0.03 0.19 0.03 0.06 -0.08 -0.00 -0.03 -0.08 0.00 -0.01 -0.06 -0.01 -0.02 -0.07 -0.02 -0.01 0.01 0.04 -0.00 -0.10 -0.04 0.01 0.08 -0.09 0.05 -0.11 -0.02 0.01 -0.03 -0.02 -0.04 -0.04 0.03 -0.03 0.05 0.02 -0.09 0.05 0.04 -0.09 -0.06 0.07 -0.03 -0.02 0.05 0.01 -0.06 0.06 -0.04 0.04 0.02 0.06 -0.01 0.04 0.02 0.05 0.01 0.07 -0.04 0.06 -0.01 0.03 0.15 0.04 0.01 -0.13 -0.05 0.09 -0.29 0.04 0.17 -0.11 0.14 0.28 0.03 0.09 0.22 -0.04 0.06 0.17 0.14 0.07 -0.08 -0.01 -0.04 -0.06 0.03 -0.04 -0.14 -0.02 0.02 -0.01 -0.04 -0.05 0.13 0.03 -0.13 0.11 0.08 -0.13 -0.01 0.06 0.01 -0.09 0.08 -0.06 0.08 0.01 0.10 -0.00 0.03 0.02 0.10 -0.01 0.12 0.01 0.02 -0.03 0.06 -0.05 0.01 -0.08 0.07 -0.01 0.01 -0.01 -0.03 0.08 -0.08 -0.00 0.07 -0.05 0.06 -0.08 0.06 -0.04 0.09 0.00 0.01 -0.03 -0.00 0.05 -0.02 0.00 0.10 0.05 -0.09 0.04 -0.02 -0.03 0.17 -0.10 0.07 -0.14 -0.01 0.02 0.19 0.08 -0.08 0.05 -0.00 0.02 0.11 0.03 -0.01 -0.08 -0.00 0.01 0.03 0.03 -0.03 -0.14 0.04 0.01 -0.04 0.02 0.00 -0.15 -0.00 -0.05 -0.09 -0.03 0.01 -0.06 -0.05 -0.05 -0.00 -0.07 -0.02 0.01 -0.09 0.07 -0.06 -0.07 0.06 -0.04 -0.07 0.06 -0.04 0.02 0.02 0.03 0.03 0.02 0.04 0.08 -0.00 0.08 -0.06 0.01 0.04 0.05 -0.11 -0.01 0.01 -0.05 0.22 -0.11 -0.03 0.20 0.05 -0.04 0.18 -0.09 -0.00 -0.27 -0.16 0.22 -0.14 -0.10 0.04 -0.18 -0.01 0.03 0.27 -0.00 0.03 -0.07 0.02 0.02 -0.19 0.00 -0.07 -0.08 -0.07 -0.07 0.06 -0.12 -0.02 0.08 -0.10 0.08 -0.06 -0.09 0.07 -0.06 0.05 0.01 0.06 0.06 -0.00 0.07 0.17 -0.04 0.15 0.02 0.11 0.02 -0.05 0.06 -0.01 0.04 -0.01 -0.00 0.01 -0.01 0.02 0.01 -0.03 -0.03 -0.02 -0.11 -0.05 -0.01 0.02 -0.02 -0.08 0.08 0.14 -0.00 0.01 0.03 0.02 -0.01 -0.08 0.06 0.06 -0.05 -0.00 0.02 0.17 -0.09 -0.10 0.12 0.06 0.02 -0.12 0.02 -0.01 -0.05 0.05 0.03 -0.06 -0.01 -0.07 -0.03 0.01 0.02 -0.02 -0.02 -0.07 -0.03 -0.03 -0.03 0.01 -0.03 -0.05 -0.02 0.01 -0.08 -0.01 -0.01 -0.02 -0.01 0.02 -0.06 0.01 0.02 -0.03 0.01 -0.03 0.03 -0.03 -0.02 0.03 -0.01 -0.03 0.02 -0.03 0.01 0.01 0.02 0.00 0.00 0.01 0.03 -0.00 0.03 0.01 -0.06 -0.11 0.06 0.06 -0.06 0.02 0.18 -0.06 -0.05 -0.30 0.22 0.03 0.19 0.48 -0.07 -0.02 0.28 -0.18 -0.25 0.17 -0.09 -0.14 0.01 0.06 0.03 -0.17 -0.02 -0.06 -0.03 -0.05 -0.04 -0.03 0.02 -0.10 -0.01 0.04 -0.07 0.02 0.03 -0.01 0.02 -0.02 0.03 -0.02 -0.04 0.03 -0.04 0.03 0.00 0.04 0.01 -0.00 0.01 0.06 -0.02 0.06 -0.03 -0.08 0.01 -0.02 0.02 -0.01 0.02 -0.02 0.00 -0.02 0.03 -0.00 0.10 0.05 0.05 0.06 -0.05 0.02 -0.02 0.02 -0.02 -0.05 0.05 0.07 0.03 0.04 0.01 0.03 0.02 0.00 0.05 0.04 0.01 0.01 0.14 -0.07 -0.00 0.01 0.04 -0.03 -0.01 -0.03 0.07 0.02 0.03 -0.03 -0.01 -0.04 0.01 -0.02 0.02 -0.01 0.00 -0.02 -0.02 -0.05 -0.01 -0.00 -0.02 0.01 -0.02 -0.04 -0.01 -0.01 -0.05 -0.01 -0.01 -0.02 -0.02 0.01 -0.04 -0.01 0.01 -0.03 -0.02 -0.05 0.03 -0.04 -0.04 0.03 -0.03 -0.04 0.03 -0.03 0.00 0.01 0.01 0.01 0.01 0.01 0.04 -0.01 0.04 0.02 0.04 -0.01 0.05 0.03 -0.02 0.09 -0.04 0.29 0.01 0.64 -0.11 -0.08 -0.08 -0.50 0.06 0.04 0.12 -0.08 -0.08 0.08 -0.01 0.03 -0.06 -0.02 -0.04 -0.04 -0.05 0.01 0.07 -0.03 -0.04 -0.02 -0.02 -0.06 -0.00 0.02 -0.04 -0.01 0.03 -0.02 -0.02 -0.06 0.04 -0.04 -0.05 0.04 -0.04 0.02 0.00 0.02 0.02 -0.00 0.02 0.09 -0.03 0.08 -0.07 0.10 -0.03 0.08 0.00 0.01 0.03 0.05 0.00 -0.03 0.14 -0.01 -0.02 -0.09 -0.02 0.01 -0.01 0.02 -0.01 -0.01 0.01 0.06 -0.03 -0.06 -0.02 -0.05 0.02 -0.01 -0.04 0.02 -0.03 -0.06 0.02 -0.03 -0.01 -0.13 0.00 -0.16 0.21 -0.02 -0.02 0.04 -0.01 -0.06 0.02 -0.06 -0.00 0.03 0.03 -0.00 -0.04 -0.01 0.04 0.01 0.07 0.01 -0.07 0.02 0.02 -0.01 0.08 0.02 -0.08 0.05 0.00 -0.03 0.03 0.00 -0.02 -0.00 -0.01 0.02 -0.02 -0.02 0.03 -0.00 -0.01 0.01 -0.00 -0.01 0.01 0.00 -0.00 0.01 -0.00 -0.01 -0.00 0.00 -0.00 0.01 -0.00 -0.00 -0.00 0.01 -0.02 0.05 -0.04 -0.09 0.02 -0.04 -0.06 -0.04 0.06 0.18 -0.18 -0.12 -0.08 -0.30 0.10 -0.03 0.47 -0.07 -0.45 0.27 -0.01 -0.10 0.09 -0.02 -0.02 0.05 0.06 -0.00 -0.06 0.10 0.03 -0.10 0.04 -0.00 -0.03 -0.04 -0.03 0.05 -0.08 -0.03 0.09 -0.00 -0.02 0.01 0.00 -0.00 0.02 -0.01 -0.01 -0.01 0.00 0.00 0.01 -0.00 0.00 -0.01 -0.08 0.10 0.05 -0.04 0.09 -0.04 0.21 -0.19 0.01 -0.02 0.10 -0.03 0.01 -0.04 0.06 0.03 0.02 0.09 -0.02 -0.00 0.01 0.02 -0.04 -0.02 0.01 -0.04 0.04 0.02 -0.04 0.07 -0.02 -0.07 0.08 0.00 -0.03 0.04 -0.03 0.04 -0.13 0.01 -0.06 -0.09 0.00 -0.04 0.09 -0.02 -0.05 -0.20 -0.00 0.01 0.03 0.01 -0.02 -0.10 0.02 0.02 -0.02 -0.01 0.01 0.03 0.04 0.02 -0.04 -0.01 0.01 0.00 0.02 0.01 -0.02 -0.02 0.01 -0.00 -0.00 0.01 -0.01 -0.02 0.00 0.00 -0.01 -0.00 -0.00 -0.02 0.01 0.00 -0.00 -0.01 -0.00 -0.00 0.01 0.00 0.01 -0.00 0.00 0.04 -0.06 0.11 -0.01 -0.06 0.07 0.03 -0.05 0.10 -0.02 0.03 0.05 0.01 -0.06 -0.00 -0.30 -0.10 -0.47 0.17 0.43 -0.25 0.01 -0.12 0.15 0.01 -0.08 -0.16 -0.01 0.02 0.04 0.05 0.02 -0.05 -0.04 0.01 0.02 -0.04 0.00 0.01 -0.02 -0.00 -0.00 -0.02 -0.01 -0.00 -0.02 0.01 0.01 0.00 -0.01 -0.00 0.00 0.01 0.01 0.02 -0.00 0.01 0.05 -0.13 0.03 -0.14 0.12 -0.02 -0.04 0.02 -0.02 -0.00 -0.05 0.01 -0.07 -0.12 0.02 -0.01 -0.03 0.03 -0.06 -0.04 0.07 0.07 -0.08 -0.00 -0.01 0.07 0.02 -0.00 0.06 0.02 0.00 0.05 0.02 -0.01 0.10 -0.00 -0.02 0.04 0.08 -0.00 0.06 -0.02 -0.02 -0.03 0.03 0.02 0.05 -0.06 -0.01 -0.02 -0.01 -0.02 0.05 -0.03 0.09 0.03 -0.08 -0.04 0.01 0.01 0.24 0.10 -0.23 -0.07 -0.02 0.08 0.13 0.06 -0.12 -0.01 -0.00 0.03 0.09 0.05 -0.08 -0.05 -0.04 0.06 -0.04 -0.07 0.03 -0.03 0.00 0.07 -0.01 -0.05 -0.03 0.00 0.03 0.03 0.01 0.00 -0.03 0.00 0.05 0.03 0.00 0.05 0.00 -0.03 0.21 -0.21 0.05 -0.11 -0.01 -0.06 0.22 0.19 -0.07 0.06 0.10 0.02 0.01 0.07 -0.01 -0.00 0.12 -0.00 0.06 -0.04 0.01 -0.05 -0.02 0.28 0.13 -0.29 -0.22 -0.08 0.24 -0.10 -0.03 0.12 0.07 0.05 -0.05 -0.05 -0.12 0.03 -0.04 0.03 0.11 -0.00 -0.07 -0.07 0.02 0.07 0.04 0.03 0.02 -0.06 0.02 -0.09 0.02 -0.09 0.09 -0.02 -0.01 -0.00 -0.01 -0.01 -0.00 -0.01 -0.05 -0.10 -0.02 -0.04 -0.00 0.05 0.05 0.02 -0.05 0.04 -0.03 -0.03 0.01 0.05 0.04 0.02 0.04 0.05 0.02 0.02 0.04 0.00 0.10 -0.00 -0.01 0.03 0.06 -0.00 0.03 -0.01 -0.01 -0.03 0.03 -0.00 0.02 -0.06 0.01 -0.01 -0.04 -0.01 0.03 -0.04 0.05 0.00 -0.07 -0.01 0.02 -0.00 -0.06 -0.03 0.05 0.19 0.04 -0.19 -0.09 -0.03 0.08 0.02 -0.01 0.00 -0.18 -0.07 0.19 0.07 0.02 -0.03 0.06 0.04 -0.00 0.06 -0.02 -0.04 0.01 0.03 0.02 -0.00 -0.03 -0.02 -0.03 0.00 -0.00 0.02 0.04 0.06 0.02 0.02 0.03 -0.02 0.17 -0.15 0.06 -0.04 -0.01 -0.05 0.18 0.12 -0.13 0.03 0.00 0.09 0.10 0.01 0.01 -0.04 0.17 -0.00 0.02 -0.04 0.04 -0.02 -0.07 -0.09 -0.03 0.07 0.36 0.09 -0.35 0.03 -0.01 -0.00 -0.31 -0.10 0.32 0.08 0.08 0.01 0.08 -0.05 -0.06 -0.01 0.06 0.04 -0.02 -0.07 -0.03 -0.08 -0.00 0.00 -0.01 -0.01 -0.01 0.02 -0.02 0.01 -0.02 0.02 0.00 -0.01 0.02 0.00 0.04 0.03 0.04 0.05 -0.03 -0.00 0.00 0.00 -0.00 -0.02 0.02 -0.03 -0.00 -0.00 -0.01 0.01 -0.00 -0.01 -0.02 -0.00 -0.00 -0.01 0.02 -0.08 0.01 -0.03 0.04 -0.00 -0.00 -0.00 0.02 -0.00 0.01 -0.02 -0.00 0.02 0.03 0.02 0.04 -0.01 0.01 0.01 0.00 -0.00 0.02 0.03 0.01 0.02 0.00 -0.03 0.02 -0.01 -0.00 0.01 0.01 -0.03 0.00 -0.01 -0.01 -0.01 0.01 -0.02 -0.01 -0.04 0.02 -0.03 -0.05 0.02 -0.04 -0.05 0.02 -0.04 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.04 -0.02 0.03 0.01 0.01 0.01 -0.02 -0.02 -0.01 -0.06 0.19 -0.40 0.09 -0.33 -0.09 -0.06 0.20 0.22 -0.32 -0.07 -0.14 0.32 0.18 -0.09 0.06 -0.21 0.41 -0.00 0.00 -0.01 0.02 0.04 0.04 0.01 -0.03 0.04 -0.01 0.01 0.02 -0.01 -0.00 -0.02 0.02 -0.03 -0.03 -0.06 0.03 -0.05 -0.06 0.03 -0.05 0.01 0.00 0.01 0.01 -0.01 0.01 0.09 -0.04 0.07 0.04 0.01 0.02 -0.06 0.06 -0.01 0.01 -0.01 -0.01 0.03 -0.05 -0.01 -0.01 -0.05 0.12 0.14 -0.09 -0.02 0.00 0.01 -0.01 -0.00 -0.05 -0.08 -0.04 -0.02 -0.04 -0.05 0.00 -0.01 -0.06 -0.03 -0.03 -0.03 -0.10 -0.03 0.04 0.00 -0.01 -0.00 0.03 -0.01 0.01 -0.06 0.03 0.04 0.02 -0.04 0.01 0.05 0.11 0.02 0.01 -0.03 0.01 0.05 0.05 -0.00 0.05 0.10 -0.00 0.01 0.05 -0.01 0.08 -0.01 -0.02 -0.01 0.01 -0.05 0.05 -0.03 -0.05 -0.00 -0.01 -0.03 0.02 -0.04 -0.05 0.04 -0.05 -0.05 0.02 -0.06 -0.01 0.01 -0.00 -0.01 -0.00 -0.01 0.04 -0.02 0.04 -0.04 -0.00 0.00 -0.05 -0.02 -0.06 -0.06 -0.09 -0.07 -0.03 -0.17 -0.02 0.03 -0.08 0.02 0.44 0.08 0.26 -0.24 -0.33 0.13 -0.02 0.26 -0.37 -0.00 0.06 -0.00 0.02 0.07 0.09 0.01 -0.00 0.08 -0.01 0.13 -0.03 -0.06 0.06 -0.06 -0.07 -0.03 -0.03 -0.07 0.05 -0.07 -0.07 0.03 -0.08 0.00 0.01 0.01 0.01 -0.02 0.00 0.10 -0.05 0.09 -0.04 0.01 -0.03 0.09 -0.11 0.02 -0.01 -0.01 0.02 -0.02 0.02 0.02 0.01 -0.09 0.11 0.19 -0.18 -0.07 -0.05 0.02 -0.03 0.02 -0.12 0.09 0.07 0.02 -0.03 0.06 0.01 -0.08 0.08 0.07 -0.06 0.06 0.11 0.02 -0.01 -0.04 -0.01 0.01 -0.04 -0.05 0.09 -0.05 0.01 -0.03 -0.03 0.05 -0.11 -0.02 0.05 -0.01 -0.04 0.04 -0.05 0.06 -0.03 -0.15 -0.03 0.03 -0.05 0.11 -0.04 -0.07 0.10 -0.07 -0.08 0.10 -0.03 -0.09 0.10 -0.07 -0.13 0.11 -0.04 0.07 -0.02 0.06 0.11 -0.03 0.10 0.11 -0.03 0.09 0.01 0.01 0.02 0.01 0.01 0.02 -0.09 0.06 -0.06 0.05 0.03 -0.09 0.09 0.09 -0.08 0.11 0.18 -0.04 0.04 0.04 0.03 0.02 0.17 0.11 -0.20 -0.04 -0.08 0.08 0.07 -0.06 0.02 -0.19 0.11 0.01 -0.06 -0.07 -0.16 -0.04 0.11 -0.06 0.12 -0.05 -0.08 0.13 -0.07 -0.08 0.09 -0.06 -0.15 0.09 -0.03 0.15 -0.05 0.13 0.15 -0.05 0.13 -0.00 0.02 0.01 -0.01 0.02 -0.00 -0.22 0.12 -0.16 0.06 -0.01 0.02 -0.10 0.16 -0.01 -0.04 0.09 -0.04 0.02 -0.00 -0.01 0.11 0.07 0.01 0.07 -0.02 0.01 -0.02 0.02 -0.02 -0.01 0.04 0.05 -0.05 -0.09 0.01 -0.05 -0.05 0.02 -0.05 -0.09 0.00 -0.04 -0.19 -0.05 0.02 -0.08 0.05 0.02 0.03 0.02 0.04 -0.02 0.02 0.03 0.04 -0.03 -0.02 -0.01 -0.03 0.00 0.07 -0.03 -0.06 -0.04 -0.03 -0.00 -0.04 -0.06 -0.07 -0.02 -0.02 -0.05 -0.04 -0.03 -0.04 0.01 -0.02 -0.02 -0.02 -0.03 -0.01 0.01 -0.04 0.04 -0.00 0.04 0.08 -0.01 0.08 0.08 -0.01 0.07 0.02 0.02 0.03 0.02 0.03 0.02 -0.06 0.06 -0.03 -0.05 -0.08 0.02 -0.05 -0.11 -0.02 -0.08 -0.31 0.11 -0.03 0.01 -0.07 0.01 -0.31 -0.25 -0.22 -0.12 -0.10 0.28 0.07 -0.07 0.05 -0.19 0.35 0.01 0.05 0.05 -0.09 0.01 0.03 -0.08 -0.02 -0.04 -0.05 -0.06 -0.03 0.01 -0.02 -0.03 0.02 0.03 -0.06 0.12 -0.01 0.11 0.12 -0.02 0.11 0.01 0.02 0.02 0.00 0.03 0.01 -0.16 0.11 -0.11 0.02 0.01 -0.00 0.01 0.01 0.01 -0.03 0.05 -0.01 0.02 -0.02 0.01 -0.06 -0.03 0.01 -0.01 -0.02 -0.04 0.01 -0.01 0.01 0.00 -0.04 -0.01 0.01 -0.02 0.02 -0.02 -0.01 -0.05 0.01 0.05 -0.03 0.01 -0.04 0.07 -0.00 -0.03 0.03 0.00 0.00 -0.05 -0.02 0.01 -0.03 0.01 0.01 0.01 -0.01 0.00 0.03 0.01 0.01 0.02 0.03 0.03 0.02 -0.03 0.01 0.04 0.04 0.03 0.01 0.04 0.04 0.01 0.02 0.01 0.01 0.01 0.02 0.01 -0.01 0.00 0.03 -0.02 -0.00 -0.02 -0.04 0.00 -0.05 -0.05 -0.00 -0.04 -0.01 -0.02 -0.02 -0.01 -0.02 -0.01 0.03 -0.04 0.02 -0.02 -0.04 -0.07 0.02 0.09 -0.01 0.07 -0.23 0.43 -0.09 0.35 0.08 0.07 -0.25 -0.26 -0.29 -0.08 -0.16 0.24 0.18 -0.09 0.04 -0.20 0.32 0.00 0.00 -0.05 0.02 -0.03 0.01 0.06 0.03 0.00 0.05 0.05 -0.00 -0.00 0.03 0.01 -0.04 -0.01 0.06 -0.07 0.00 -0.06 -0.06 0.00 -0.06 -0.01 -0.01 -0.02 -0.00 -0.02 -0.01 0.09 -0.06 0.06 0.00 0.05 0.00 0.03 -0.06 -0.00 0.03 -0.06 0.02 0.04 -0.08 0.01 0.09 0.18 0.06 0.01 0.01 -0.00 0.00 -0.01 0.01 0.00 -0.07 0.19 -0.11 0.03 -0.00 -0.12 0.02 -0.02 -0.09 0.06 -0.01 -0.10 -0.07 -0.08 0.06 0.11 0.04 -0.06 0.03 -0.00 0.01 0.09 0.02 0.02 -0.01 0.00 -0.09 -0.05 0.03 0.03 -0.05 0.01 0.06 0.02 -0.05 -0.16 -0.12 -0.10 0.14 0.05 -0.12 0.14 0.01 -0.08 0.04 0.02 -0.02 0.06 -0.01 0.02 -0.06 -0.03 0.12 -0.01 -0.01 -0.01 -0.02 -0.01 -0.02 -0.02 -0.01 -0.02 -0.01 -0.02 -0.02 -0.00 -0.02 -0.01 0.02 -0.03 -0.00 -0.13 0.00 -0.05 -0.09 0.04 -0.05 -0.17 -0.04 -0.19 -0.03 -0.19 -0.10 -0.09 -0.03 -0.01 0.17 0.09 0.03 0.13 0.06 0.02 0.04 0.26 0.09 -0.07 0.09 0.02 -0.21 -0.15 0.21 0.16 0.07 -0.16 0.16 -0.00 -0.10 0.03 -0.02 0.05 -0.20 -0.06 0.28 -0.03 -0.02 -0.03 -0.03 -0.01 -0.03 -0.01 -0.02 -0.02 0.00 -0.01 -0.00 0.04 -0.04 0.01 -0.01 0.04 0.00 0.04 -0.07 -0.01 0.04 -0.08 0.02 0.05 -0.09 0.00 -0.06 -0.06 0.01 0.01 -0.04 -0.04 -0.00 -0.01 -0.01 -0.01 0.03 -0.12 -0.09 0.07 0.03 -0.12 0.05 -0.03 -0.04 0.11 -0.03 -0.09 0.02 0.03 0.06 0.14 0.12 -0.08 0.04 0.00 -0.02 0.01 -0.02 0.01 -0.00 -0.00 0.06 0.03 0.01 0.03 -0.05 0.00 -0.01 -0.07 -0.05 0.11 0.08 0.10 0.01 -0.12 -0.06 -0.05 -0.07 -0.06 0.02 -0.10 -0.04 -0.05 -0.08 -0.07 -0.00 -0.10 -0.07 0.02 0.02 0.02 0.05 0.04 0.08 0.07 0.04 0.07 0.01 0.06 0.06 0.03 0.06 0.04 -0.04 0.11 0.01 -0.15 0.04 -0.09 -0.03 0.11 -0.07 -0.08 -0.06 0.15 -0.10 0.17 0.02 -0.06 -0.07 -0.11 -0.01 0.10 0.02 0.31 0.18 0.02 0.07 0.18 0.37 -0.09 0.09 0.03 0.11 0.14 -0.10 0.01 -0.12 -0.04 -0.07 -0.06 -0.05 -0.06 -0.07 -0.07 -0.01 -0.13 -0.12 0.10 0.05 0.11 0.09 0.04 0.11 0.02 0.05 0.05 0.02 0.05 0.04 -0.11 0.13 -0.04 -0.01 0.02 0.02 -0.02 0.00 -0.02 0.07 -0.08 0.01 0.02 -0.04 -0.03 0.02 -0.09 -0.07 0.09 -0.08 -0.05 -0.03 0.04 -0.02 0.03 0.07 -0.02 -0.07 0.05 0.04 -0.07 0.04 0.05 0.02 -0.00 -0.02 -0.07 0.02 0.00 0.06 0.09 0.12 -0.06 0.04 0.14 0.06 -0.05 -0.03 0.00 0.00 -0.01 0.02 -0.02 -0.12 0.02 -0.02 -0.03 -0.03 0.02 0.01 0.04 0.01 -0.09 -0.15 0.11 0.09 -0.00 -0.02 0.10 -0.07 0.15 0.04 0.05 0.04 0.12 0.08 0.17 0.04 -0.01 -0.02 -0.01 -0.01 -0.06 -0.06 -0.04 -0.07 -0.03 0.00 -0.08 -0.06 -0.02 -0.08 -0.04 0.01 -0.11 -0.05 -0.12 0.06 -0.03 0.01 -0.04 -0.08 -0.10 -0.00 0.01 -0.03 0.06 -0.02 -0.08 -0.00 -0.05 0.00 0.08 0.08 0.26 0.08 0.05 0.06 0.13 0.32 -0.06 0.07 0.22 0.04 -0.01 -0.14 -0.23 0.12 0.08 0.02 -0.08 0.10 0.11 0.02 0.16 0.21 0.28 0.03 -0.05 -0.10 -0.08 -0.04 -0.08 -0.08 -0.00 -0.06 -0.04 -0.02 -0.05 -0.04 0.03 -0.12 -0.03 0.14 -0.01 0.04 -0.11 -0.09 -0.09 0.00 -0.19 0.06 -0.15 0.23 -0.08 -0.03 0.01 -0.08 0.03 -0.01 -0.14 0.06 -0.06 0.04 0.00 -0.02 0.08 -0.01 0.03 -0.02 0.04 0.03 0.05 0.02 -0.04 -0.05 -0.00 0.01 0.05 0.01 -0.00 0.06 0.05 0.05 0.25 -0.02 0.00 -0.11 0.04 0.03 0.03 -0.01 -0.04 -0.02 -0.07 -0.03 -0.04 0.05 0.06 0.06 -0.08 -0.07 -0.11 0.08 -0.03 0.07 -0.04 0.11 0.00 0.05 -0.09 0.01 -0.09 0.04 -0.08 -0.04 -0.07 -0.07 0.02 -0.00 0.00 -0.02 0.05 0.01 -0.01 0.05 -0.02 -0.02 0.05 0.02 -0.00 0.05 0.00 0.03 0.05 0.06 0.00 0.07 -0.00 -0.02 -0.09 -0.00 0.02 -0.04 0.14 -0.08 0.07 0.07 0.06 -0.03 0.00 -0.08 0.03 0.09 0.13 -0.04 0.02 0.03 -0.05 0.18 0.03 0.08 0.42 0.01 -0.18 0.03 0.11 -0.06 0.12 -0.08 0.20 0.01 -0.17 0.07 -0.13 -0.09 -0.15 -0.15 -0.03 0.09 -0.01 -0.03 0.07 -0.01 -0.03 0.05 0.01 -0.02 0.03 -0.00 0.06 0.03 0.09 0.18 0.00 0.00 0.00 -0.16 -0.04 -0.16 -0.06 0.05 -0.17 0.25 0.04 0.02 0.01 0.08 0.01 -0.01 0.07 -0.06 0.06 -0.04 -0.01 0.01 -0.07 -0.06 -0.01 0.01 -0.01 -0.05 -0.05 -0.07 0.00 0.02 -0.07 -0.02 0.02 0.06 0.08 -0.01 0.09 -0.00 -0.23 -0.01 -0.00 0.07 0.06 0.01 -0.03 0.01 0.04 0.03 -0.08 -0.01 0.02 -0.04 -0.06 -0.06 0.08 0.07 0.12 -0.06 0.03 -0.08 0.04 -0.11 -0.01 -0.04 0.08 -0.02 0.10 -0.04 0.07 0.04 0.06 0.08 -0.03 0.00 -0.01 0.02 -0.04 -0.01 0.01 -0.05 0.02 0.02 -0.05 -0.02 -0.00 -0.04 -0.00 -0.02 -0.04 -0.05 0.02 -0.17 -0.01 -0.08 -0.02 0.01 -0.04 -0.02 0.06 -0.10 0.02 0.03 -0.06 -0.03 -0.00 0.21 0.03 -0.05 0.08 0.08 -0.02 0.03 0.25 -0.00 0.09 0.03 -0.38 -0.01 0.18 -0.02 -0.09 0.05 -0.13 0.08 -0.20 -0.02 0.17 -0.07 0.12 0.08 0.13 0.16 0.02 -0.09 0.01 0.04 -0.07 0.03 0.04 -0.05 0.00 0.02 -0.02 0.00 -0.05 -0.03 -0.08 0.01 -0.00 0.01 -0.04 -0.02 -0.03 0.05 -0.07 0.02 -0.00 0.00 -0.05 -0.02 0.05 0.04 -0.03 -0.00 -0.02 -0.03 0.04 -0.03 -0.04 -0.02 -0.05 0.06 0.04 -0.02 0.01 0.08 0.01 0.06 0.12 -0.02 0.09 -0.11 -0.09 -0.15 -0.09 -0.02 -0.04 0.05 0.15 0.00 0.07 -0.01 -0.00 0.02 0.03 -0.00 0.03 0.06 0.00 -0.01 -0.01 -0.04 -0.04 -0.01 0.06 0.02 0.14 0.00 0.02 -0.07 0.03 -0.05 -0.02 -0.02 0.04 -0.02 0.07 -0.02 0.01 -0.01 0.02 0.06 -0.02 0.01 -0.00 0.01 -0.03 0.01 0.00 -0.02 0.01 0.01 -0.02 -0.01 0.01 -0.02 0.01 -0.02 -0.02 -0.03 -0.02 0.15 -0.03 0.08 0.18 -0.02 -0.07 -0.19 -0.12 0.19 -0.17 -0.12 0.19 -0.16 -0.13 -0.33 -0.03 0.03 -0.27 -0.06 0.02 -0.11 -0.34 -0.12 -0.05 0.06 0.28 -0.00 0.13 0.01 0.03 0.04 -0.13 0.05 -0.09 -0.03 0.13 -0.02 0.01 -0.02 0.05 0.13 0.02 -0.06 0.02 0.02 -0.03 0.02 0.02 -0.03 -0.00 0.03 -0.01 0.02 -0.04 -0.00 -0.06 0.04 0.01 -0.00 0.03 -0.05 -0.01 -0.04 -0.02 0.02 -0.01 0.01 0.04 0.02 -0.10 -0.03 -0.03 -0.03 0.13 0.02 -0.04 0.04 0.05 0.02 0.02 -0.01 0.04 0.10 -0.06 0.03 -0.02 0.11 0.14 0.04 -0.00 -0.14 -0.12 -0.13 0.04 0.00 -0.04 0.03 -0.11 0.09 0.01 0.08 0.01 0.01 -0.03 0.01 -0.02 -0.08 -0.00 -0.00 0.01 0.04 0.04 -0.00 -0.06 0.01 -0.12 -0.03 -0.02 0.09 -0.03 0.04 0.02 0.01 -0.03 0.03 -0.07 0.01 0.01 0.03 -0.00 -0.06 0.03 -0.00 0.00 -0.01 0.03 -0.01 0.01 0.02 -0.02 -0.01 0.02 0.01 -0.01 0.01 -0.01 0.01 0.01 0.03 -0.10 -0.02 -0.10 0.15 0.18 -0.07 -0.24 -0.22 -0.23 0.26 -0.16 -0.23 0.01 -0.20 -0.23 -0.16 0.02 -0.04 -0.27 0.13 0.04 -0.12 -0.06 -0.12 -0.03 0.05 -0.18 0.02 -0.10 -0.04 -0.05 -0.05 0.15 -0.05 0.08 0.04 -0.13 0.01 0.02 0.06 -0.02 -0.15 -0.02 0.07 -0.03 -0.00 0.02 -0.03 -0.02 0.03 0.01 -0.04 0.00 -0.03 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 -0.01 -0.00 0.00 -0.00 0.01 0.28 0.11 -0.25 0.01 0.00 0.00 0.00 0.00 0.01 -0.00 -0.00 -0.00 0.01 0.01 0.00 -0.00 -0.01 -0.01 -0.01 0.00 -0.00 -0.00 0.00 -0.01 0.01 -0.00 0.00 0.00 -0.00 -0.00 -0.01 0.00 -0.01 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.02 0.01 -0.02 -0.06 -0.03 0.06 0.05 0.03 -0.06 0.08 0.01 -0.06 -0.07 -0.01 0.04 -0.01 -0.01 -0.00 -0.14 -0.08 0.14 -0.12 -0.14 0.14 -0.18 0.01 0.14 -0.03 -0.05 -0.09 0.06 0.09 0.07 0.07 0.04 -0.05 -0.01 -0.00 -0.01 0.01 0.01 -0.00 -0.02 -0.02 -0.01 0.02 -0.01 -0.02 -0.00 -0.02 -0.02 -0.01 -0.00 -0.00 -0.02 0.01 0.00 -0.01 -0.00 -0.01 -0.00 0.00 -0.01 -0.01 -0.01 -0.00 -0.11 -0.06 0.12 0.11 0.05 -0.12 -0.16 -0.04 0.12 -0.03 -0.03 0.01 -0.15 -0.32 0.16 -0.29 0.15 0.25 -0.04 -0.12 -0.26 0.16 0.21 0.12 0.13 0.07 -0.10 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.01 -0.01 -0.00 0.00 0.01 -0.03 -0.01 0.03 -0.01 0.00 0.00 -0.00 0.00 0.01 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.01 0.00 0.00 -0.00 -0.01 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.01 -0.01 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.01 0.02 -0.02 0.00 0.01 0.01 -0.00 -0.01 0.00 0.01 -0.02 0.00 0.01 0.01 0.01 -0.02 -0.01 0.01 0.00 0.02 0.01 -0.02 0.18 -0.05 0.11 -0.13 0.07 -0.15 -0.15 0.07 -0.11 0.15 -0.08 0.12 -0.01 -0.01 0.01 -0.01 -0.01 -0.01 0.00 -0.00 -0.00 -0.01 -0.00 -0.01 0.01 0.00 -0.01 -0.01 -0.00 -0.01 0.01 0.00 -0.00 -0.00 0.01 0.00 -0.00 0.01 0.00 0.00 0.00 -0.01 0.01 -0.01 -0.01 0.03 0.02 -0.02 -0.02 0.00 0.02 0.04 0.02 -0.04 -0.00 0.01 -0.00 0.37 -0.11 0.25 -0.30 0.14 -0.30 -0.34 0.17 -0.24 0.32 -0.18 0.26 -0.02 -0.01 0.01 0.00 0.00 -0.00 0.01 0.01 0.01 -0.02 0.01 -0.01 -0.00 0.00 0.02 0.03 -0.06 -0.08 -0.06 0.03 0.04 0.03 0.01 -0.03 -0.19 -0.01 0.03 -0.04 -0.00 0.07 -0.02 -0.03 -0.00 0.08 -0.01 0.01 -0.05 -0.01 -0.02 -0.00 0.06 0.02 0.01 -0.01 -0.03 0.06 -0.01 -0.02 0.00 -0.01 -0.02 0.12 -0.15 0.03 -0.00 0.00 -0.00 -0.01 -0.03 0.13 0.34 -0.33 0.11 0.10 0.13 -0.03 -0.07 0.07 -0.02 -0.03 0.08 0.01 -0.02 0.10 -0.16 -0.19 0.09 -0.01 0.01 -0.01 0.03 -0.04 0.00 -0.01 -0.00 -0.01 0.03 0.01 -0.01 0.00 -0.03 0.02 -0.02 0.02 -0.00 0.01 -0.06 -0.09 -0.08 0.07 -0.04 -0.03 -0.10 0.00 -0.09 0.06 -0.01 -0.07 -0.12 -0.01 -0.05 0.06 0.02 -0.03 -0.00 0.10 0.02 -0.01 0.13 0.02 0.01 -0.01 -0.07 0.19 -0.10 -0.08 0.16 0.19 -0.18 -0.10 0.21 -0.03 0.11 0.13 -0.25 -0.26 0.05 0.03 -0.10 0.01 -0.05 -0.01 0.00 0.04 0.02 -0.02 -0.01 -0.06 0.05 -0.05 0.04 -0.01 0.02 -0.07 -0.04 0.00 0.10 0.00 -0.00 -0.06 -0.01 -0.03 -0.02 -0.01 0.11 -0.02 0.02 -0.01 0.06 -0.03 -0.08 0.01 0.00 -0.01 0.01 0.02 -0.00 -0.04 0.17 -0.04 0.19 0.09 0.09 -0.06 -0.05 0.03 -0.01 -0.12 0.00 -0.10 0.12 0.09 0.13 0.00 -0.03 -0.04 -0.01 -0.03 0.01 0.02 -0.13 -0.01 0.01 -0.01 -0.01 0.00 -0.03 -0.02 -0.00 0.02 0.01 -0.00 -0.03 0.02 -0.00 -0.02 -0.01 -0.01 0.02 -0.01 -0.01 0.02 0.04 0.01 -0.03 -0.01 -0.02 0.02 -0.01 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.25 0.02 0.18 -0.15 -0.24 0.10 -0.20 -0.31 0.11 -0.07 -0.20 0.04 0.35 -0.23 -0.04 -0.19 0.19 0.18 -0.08 0.04 0.09 -0.09 0.02 0.10 0.15 -0.15 -0.02 -0.00 0.00 -0.01 0.07 0.02 -0.06 -0.02 -0.01 0.02 0.09 0.03 -0.08 -0.01 -0.02 0.02 -0.00 -0.01 0.00 -0.00 0.00 0.01 0.00 -0.00 -0.00 0.01 0.00 0.00 0.00 0.00 -0.00 -0.02 -0.01 -0.01 -0.06 0.05 0.06 0.06 0.07 -0.04 -0.03 0.03 -0.08 -0.05 0.02 -0.03 0.02 -0.07 -0.13 -0.01 0.01 -0.01 0.01 -0.03 -0.01 -0.05 -0.05 0.22 0.10 -0.14 0.00 0.12 0.06 0.03 -0.10 -0.03 -0.04 -0.02 0.13 0.02 0.14 -0.12 0.03 0.03 0.11 -0.07 -0.00 -0.06 0.08 -0.03 0.02 0.01 -0.02 -0.02 0.02 -0.01 0.01 0.00 -0.05 0.06 0.06 0.01 -0.01 -0.01 0.01 -0.00 0.01 0.01 -0.02 -0.01 0.02 -0.01 0.01 0.01 -0.03 0.02 -0.02 0.01 -0.02 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 0.00 -0.01 0.01 -0.30 -0.17 0.05 -0.06 0.13 -0.22 -0.01 -0.21 0.20 -0.04 -0.16 -0.27 -0.03 -0.10 0.19 -0.03 -0.17 -0.15 0.31 0.04 -0.06 0.29 -0.11 0.14 -0.17 0.02 0.00 0.02 -0.02 0.02 -0.02 0.00 0.02 -0.02 0.01 0.01 -0.00 -0.01 0.00 -0.03 0.03 0.02 -0.01 0.02 0.03 -0.01 0.02 0.03 -0.01 0.02 0.03 -0.01 0.02 -0.03 0.01 -0.02 0.02 0.01 0.00 0.00 0.00 -0.00 -0.01 -0.00 -0.00 0.00 -0.00 0.01 -0.02 -0.02 -0.00 0.04 -0.03 0.00 0.09 0.01 -0.04 0.07 0.05 -0.02 0.02 -0.04 0.04 -0.06 -0.01 0.01 0.01 0.01 0.01 0.01 0.03 -0.00 0.01 -0.02 -0.02 -0.04 0.00 -0.00 -0.00 -0.01 0.02 0.00 -0.01 -0.01 -0.03 0.04 -0.04 0.00 -0.00 -0.00 -0.09 -0.02 0.05 -0.06 0.09 -0.09 0.07 -0.00 -0.08 -0.12 -0.05 0.12 -0.11 -0.06 0.13 0.17 0.05 -0.15 -0.07 -0.05 0.10 0.02 -0.03 0.04 -0.03 -0.00 0.01 -0.02 -0.00 0.02 -0.01 0.01 -0.01 -0.01 0.02 -0.02 0.03 0.00 0.02 -0.06 0.01 0.00 0.04 0.08 -0.00 0.06 0.08 -0.05 0.06 0.05 -0.02 -0.10 0.06 0.01 0.03 -0.05 -0.05 -0.02 0.02 -0.01 0.01 -0.01 -0.05 -0.04 0.04 -0.01 -0.04 0.03 -0.03 0.31 0.08 -0.31 -0.14 -0.10 0.16 0.47 0.15 -0.44 -0.00 -0.04 0.02 -0.08 -0.00 -0.02 -0.05 0.03 0.02 -0.04 0.01 -0.06 -0.04 0.05 -0.04 0.05 -0.01 0.03 -0.02 -0.01 -0.02 -0.08 -0.04 0.02 0.08 0.03 0.04 0.01 -0.00 -0.12 0.02 0.01 0.02 0.00 -0.00 0.03 0.09 -0.10 0.07 -0.00 -0.00 -0.02 -0.02 0.06 -0.06 0.06 0.01 -0.03 -0.03 -0.01 -0.00 -0.01 -0.03 0.00 -0.02 0.03 0.02 0.05 -0.01 -0.06 0.00 -0.00 0.02 -0.01 0.02 0.13 -0.03 0.01 -0.02 -0.01 0.00 0.05 -0.05 -0.06 -0.08 0.01 0.02 0.04 -0.05 -0.00 -0.05 -0.05 -0.07 -0.09 0.02 0.07 0.02 -0.02 0.00 0.00 -0.02 0.09 -0.00 0.20 -0.11 0.14 -0.02 0.01 -0.00 -0.00 0.03 -0.02 -0.09 0.05 -0.05 -0.07 0.06 -0.06 0.12 -0.02 0.12 0.09 -0.02 0.01 -0.06 -0.08 0.00 -0.05 -0.09 0.07 -0.09 -0.07 0.04 0.14 -0.07 0.01 -0.05 0.07 0.07 0.02 -0.02 0.01 -0.01 0.02 0.05 0.06 -0.06 -0.17 -0.06 0.10 -0.03 -0.14 0.02 -0.10 -0.03 -0.12 -0.10 0.05 -0.04 0.09 -0.03 0.08 0.00 -0.18 0.13 -0.14 -0.20 0.12 -0.15 -0.28 0.13 -0.21 -0.28 0.12 -0.22 0.20 -0.06 0.19 0.02 0.02 0.03 0.14 0.07 -0.01 -0.12 -0.04 -0.09 -0.04 0.01 0.20 -0.02 0.05 -0.01 0.01 -0.02 -0.09 0.04 -0.07 0.06 -0.02 -0.03 -0.01 0.03 -0.11 0.11 -0.06 -0.04 0.05 0.05 0.03 0.01 0.01 0.04 -0.01 0.03 -0.05 -0.03 -0.05 -0.01 0.13 -0.01 0.05 -0.05 0.02 -0.04 -0.23 -0.04 0.02 0.00 0.01 -0.01 -0.08 -0.03 -0.04 -0.06 -0.00 0.03 0.09 -0.04 -0.01 -0.03 0.00 -0.04 -0.09 0.05 0.06 -0.02 -0.04 -0.01 0.04 0.01 0.06 -0.02 0.13 -0.07 0.09 -0.00 0.01 -0.00 0.00 0.02 -0.02 -0.06 0.03 -0.03 -0.05 0.03 -0.04 0.08 -0.02 0.08 -0.11 -0.01 -0.03 0.08 0.12 0.04 0.04 0.15 -0.14 0.15 0.07 -0.07 -0.24 0.10 -0.01 0.10 -0.12 -0.13 -0.05 0.06 -0.02 0.02 -0.00 -0.10 -0.07 0.07 0.35 -0.04 0.09 -0.03 -0.15 -0.01 -0.01 0.03 -0.08 -0.11 -0.07 -0.06 0.17 -0.03 0.05 0.02 -0.10 0.09 -0.09 -0.12 0.08 -0.11 -0.19 0.09 -0.13 -0.18 0.07 -0.14 0.12 -0.04 0.12 0.01 0.01 -0.02 -0.04 -0.04 -0.03 -0.01 0.01 0.07 0.06 0.00 -0.03 -0.09 0.04 -0.00 0.15 -0.06 -0.15 -0.02 -0.02 0.02 -0.00 0.08 0.00 0.08 -0.06 0.16 -0.07 0.05 0.19 -0.13 0.01 0.11 0.10 0.01 0.00 -0.04 -0.02 -0.01 -0.08 0.02 -0.13 -0.15 -0.02 -0.01 -0.01 0.02 0.05 -0.02 0.02 -0.01 0.03 0.02 0.03 -0.05 -0.00 0.03 0.13 -0.11 -0.13 -0.00 -0.01 -0.01 0.04 0.01 -0.03 0.06 0.01 -0.06 -0.01 -0.00 0.03 0.01 -0.01 0.01 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.01 0.01 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.01 0.04 0.08 0.38 -0.06 0.21 0.20 0.07 0.05 -0.08 0.27 0.06 -0.06 -0.06 0.02 -0.05 -0.02 -0.08 -0.11 -0.22 0.14 0.04 -0.04 -0.07 -0.17 -0.06 0.03 -0.41 -0.02 0.02 -0.01 -0.03 -0.02 0.03 0.09 0.01 -0.07 -0.08 -0.02 0.09 -0.06 -0.03 0.08 0.01 0.01 -0.00 0.00 0.01 -0.01 -0.00 -0.00 0.01 -0.01 -0.00 -0.00 -0.00 0.00 0.00 0.19 0.04 0.01 0.11 0.06 0.40 0.23 0.08 -0.33 -0.39 -0.13 -0.07 -0.03 -0.01 0.04 0.04 -0.01 0.01 -0.00 0.00 0.01 0.01 0.06 0.00 0.03 0.09 -0.08 -0.04 0.07 0.03 -0.10 0.06 0.02 0.08 0.01 0.00 -0.04 0.02 0.01 -0.13 -0.07 -0.02 -0.06 -0.03 0.04 -0.09 -0.10 -0.00 0.00 0.01 -0.00 -0.21 -0.17 -0.01 -0.01 -0.00 0.01 0.08 -0.07 -0.11 -0.00 -0.00 -0.00 0.01 0.00 -0.01 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 0.03 0.21 0.17 -0.06 0.14 -0.01 0.04 -0.05 0.06 -0.02 -0.05 0.05 0.23 -0.00 0.04 -0.15 0.09 0.10 -0.05 -0.05 0.02 -0.02 -0.09 0.02 -0.13 -0.08 -0.06 -0.01 -0.00 0.02 -0.01 -0.01 0.01 0.02 0.00 -0.02 -0.03 -0.01 0.03 -0.02 -0.01 0.01 -0.00 0.00 -0.00 0.00 -0.01 -0.00 0.01 0.00 0.00 -0.00 0.00 -0.00 -0.01 0.00 -0.01 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.01 -0.01 -0.00 0.00 -0.00 -0.00 0.15 0.15 0.24 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 -0.02 0.01 -0.01 0.00 0.00 -0.00 -0.06 -0.08 -0.07 -0.00 -0.01 -0.02 0.03 -0.19 -0.05 -0.18 -0.01 -0.18 0.18 -0.00 0.17 -0.08 0.18 -0.02 -0.00 0.07 0.02 -0.06 0.22 0.05 0.06 0.04 -0.10 -0.10 -0.04 0.06 0.11 -0.02 -0.08 -0.05 -0.10 0.07 -0.05 -0.19 -0.15 -0.00 -0.01 -0.01 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.01 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.01 0.00 0.00 0.00 0.01 -0.04 0.05 -0.01 -0.08 -0.15 -0.13 -0.15 -0.07 -0.19 0.01 0.14 0.07 -0.13 -0.13 -0.15 0.12 -0.22 -0.01 0.10 -0.22 0.01 0.18 0.02 0.15 0.14 -0.00 0.20 -0.00 -0.21 -0.11 0.04 0.01 -0.01 0.01 -0.02 0.01 0.02 0.01 0.01 -0.02 -0.03 -0.01 0.11 0.10 -0.12 -0.01 0.04 -0.09 0.03 0.05 -0.03 -0.06 -0.16 0.03 0.04 0.01 0.07 -0.07 0.06 0.16 0.01 -0.14 0.04 0.07 0.00 -0.00 -0.03 0.04 0.04 -0.11 0.03 -0.10 -0.01 -0.06 -0.10 -0.03 0.02 0.03 0.08 -0.06 -0.03 -0.01 0.01 0.01 0.20 0.02 -0.13 -0.15 0.08 0.26 0.01 0.02 0.03 -0.03 -0.03 0.01 -0.16 -0.03 0.16 -0.04 -0.03 -0.02 0.00 0.04 -0.07 -0.00 0.02 0.02 0.00 0.01 0.01 -0.02 -0.02 0.02 0.02 0.02 -0.02 -0.00 -0.02 -0.01 0.01 -0.02 -0.02 -0.04 0.11 0.22 0.03 -0.08 0.03 0.01 0.00 -0.06 0.18 0.01 -0.05 0.02 -0.01 -0.04 -0.08 0.04 0.04 -0.08 0.06 0.06 -0.03 -0.03 0.01 -0.09 0.03 -0.43 0.13 -0.09 -0.06 0.06 0.05 -0.05 -0.15 0.00 0.12 0.03 -0.03 -0.05 0.24 0.12 -0.29 -0.03 -0.02 -0.00 -0.03 -0.02 -0.00 -0.00 0.03 -0.02 -0.00 0.02 -0.02 -0.01 -0.03 -0.01 -0.02 -0.01 0.01 -0.02 -0.02 0.01 -0.00 0.03 0.01 0.02 0.02 -0.02 -0.07 -0.02 0.13 -0.01 0.00 -0.02 -0.06 0.14 -0.06 0.00 0.04 0.02 -0.00 -0.03 0.01 0.04 -0.02 -0.05 -0.08 0.12 -0.00 -0.02 -0.00 0.00 0.01 -0.03 -0.03 0.07 -0.02 0.05 -0.08 0.06 0.02 0.03 -0.01 -0.08 0.08 0.01 0.08 0.01 -0.01 0.02 0.21 0.04 -0.13 0.08 -0.11 -0.14 0.02 0.00 -0.00 0.01 -0.02 0.00 -0.20 -0.06 0.14 -0.06 -0.08 0.00 0.04 -0.01 -0.08 0.04 0.04 0.09 0.05 0.02 0.04 -0.01 -0.07 0.07 0.02 0.07 -0.07 -0.05 -0.03 -0.04 0.07 -0.09 -0.00 0.07 -0.05 -0.00 -0.08 0.15 0.07 0.01 0.01 0.01 -0.04 0.01 0.01 -0.04 0.01 0.02 0.06 -0.07 -0.08 -0.02 0.03 -0.02 0.01 0.01 -0.06 0.06 -0.00 0.31 0.04 -0.07 0.16 0.08 0.01 -0.02 -0.12 0.01 0.12 -0.06 -0.07 -0.01 0.30 0.09 -0.31 -0.11 -0.02 -0.07 -0.12 -0.04 -0.06 -0.17 0.17 -0.17 -0.17 0.13 -0.16 -0.01 -0.09 0.00 0.00 -0.00 -0.03 0.08 0.23 -0.13 -0.04 -0.23 -0.16 -0.03 0.01 0.16 -0.02 -0.01 0.04 -0.00 -0.01 0.00 -0.02 0.04 -0.02 0.00 0.02 0.00 -0.01 0.00 -0.03 0.02 -0.02 0.00 -0.00 0.05 -0.00 -0.02 -0.01 -0.00 0.00 -0.01 -0.01 0.00 -0.03 -0.02 -0.00 0.03 0.01 -0.04 0.02 0.54 0.01 0.00 0.02 0.02 -0.01 -0.15 0.04 0.01 -0.02 0.02 -0.03 -0.04 0.01 -0.00 -0.00 0.01 0.00 0.00 -0.04 -0.02 0.02 -0.01 -0.02 0.00 0.01 -0.01 -0.02 0.01 0.01 0.02 0.02 0.00 0.01 -0.00 -0.01 0.02 -0.00 0.01 -0.02 -0.02 -0.00 -0.01 0.02 -0.03 0.00 0.03 -0.01 0.00 -0.02 0.02 0.02 -0.00 -0.01 0.03 -0.07 -0.01 0.02 0.01 -0.02 0.00 0.01 -0.01 -0.01 0.02 -0.02 -0.01 0.00 0.01 -0.00 0.04 -0.11 -0.64 0.00 -0.01 0.04 0.03 -0.00 -0.00 -0.02 0.01 0.02 -0.03 -0.02 -0.00 0.06 0.00 -0.06 -0.02 -0.01 -0.02 -0.03 -0.01 -0.02 -0.06 0.05 -0.05 -0.06 0.04 -0.04 0.00 -0.03 -0.00 -0.01 -0.00 -0.00 0.00 0.01 -0.00 -0.00 -0.01 -0.01 -0.00 0.00 0.00 -0.02 0.00 0.04 0.00 -0.01 -0.01 0.08 -0.17 0.07 0.00 0.01 0.00 -0.00 -0.02 -0.00 0.02 -0.00 -0.00 -0.03 0.05 0.00 -0.01 -0.00 0.00 0.01 -0.02 -0.01 0.03 -0.00 0.01 -0.02 0.03 0.01 0.01 0.01 0.02 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.04 -0.03 -0.08 0.02 -0.02 -0.02 -0.01 0.03 -0.01 -0.03 -0.05 -0.05 -0.04 0.03 0.10 -0.00 0.02 0.03 -0.01 0.11 -0.01 -0.11 -0.09 -0.04 -0.17 0.10 0.14 -0.10 -0.13 -0.09 0.12 0.17 0.07 0.20 -0.09 -0.18 -0.02 0.15 -0.07 0.03 -0.01 0.03 -0.03 0.07 0.03 0.00 0.00 0.01 -0.03 -0.00 0.01 -0.02 0.00 0.01 0.03 -0.03 -0.03 0.00 -0.00 -0.01 0.01 -0.00 -0.03 0.03 -0.00 0.04 -0.02 0.02 0.02 -0.08 0.07 -0.10 -0.05 -0.09 -0.01 0.09 -0.01 0.10 0.08 0.15 -0.07 -0.01 0.03 0.26 -0.01 -0.09 0.17 0.39 -0.04 0.11 0.42 -0.20 0.00 -0.14 0.03 0.16 0.01 0.00 -0.00 0.00 -0.01 -0.00 0.00 0.01 0.01 -0.00 -0.01 -0.00 0.02 0.00 -0.06 0.00 0.00 0.02 -0.15 0.10 0.02 -0.00 -0.01 -0.01 0.00 0.02 -0.00 -0.02 0.01 0.00 0.05 -0.07 -0.00 0.01 0.00 -0.00 -0.01 0.02 0.02 -0.03 0.01 -0.02 0.04 -0.04 -0.01 -0.01 0.00 -0.01 -0.04 0.01 -0.02 -0.00 0.01 0.00 -0.10 0.02 0.11 -0.02 0.03 0.04 0.01 -0.03 -0.00 0.03 0.06 0.04 0.09 -0.02 -0.14 0.02 0.01 -0.02 0.02 -0.11 0.02 -0.01 0.03 0.13 0.02 0.10 0.16 -0.06 -0.21 0.08 0.09 0.23 -0.10 0.02 -0.10 -0.19 0.13 -0.08 -0.04 -0.04 0.01 -0.04 0.05 -0.09 -0.04 -0.00 -0.00 -0.01 0.03 0.00 -0.01 0.02 -0.00 -0.01 -0.03 0.04 0.04 0.01 -0.01 0.01 -0.00 0.00 0.03 -0.03 0.01 -0.07 -0.01 0.01 -0.06 0.05 -0.09 0.13 0.09 0.09 -0.02 -0.10 0.03 -0.06 -0.16 -0.19 0.17 -0.17 -0.00 0.05 -0.20 -0.14 -0.02 -0.09 0.31 -0.25 -0.12 0.13 -0.33 -0.11 -0.15 0.10 -0.06 -0.05 -0.01 0.11 -0.04 -0.02 0.10 -0.02 0.06 -0.17 -0.13 -0.02 0.00 -0.00 -0.04 0.01 -0.03 0.00 -0.01 0.01 -0.00 -0.02 -0.02 0.00 -0.04 -0.12 0.02 0.03 0.07 0.16 0.04 0.10 -0.00 -0.18 -0.05 0.01 0.09 -0.17 -0.09 0.19 0.24 -0.03 0.05 0.05 0.01 0.04 0.27 -0.01 -0.02 -0.00 -0.04 -0.12 0.08 -0.01 -0.01 0.02 -0.01 0.01 -0.00 0.04 0.00 -0.01 -0.01 0.00 0.03 0.01 0.00 -0.02 -0.01 0.00 0.02 0.01 0.02 -0.03 0.01 0.00 0.00 0.00 0.01 -0.00 -0.00 0.01 0.00 0.01 -0.00 -0.00 -0.00 -0.01 0.01 0.01 0.00 -0.00 0.00 0.05 -0.03 0.17 0.07 0.17 -0.00 -0.04 0.06 0.00 -0.19 0.06 0.01 -0.37 -0.01 -0.01 0.19 -0.23 -0.16 0.14 -0.16 -0.11 0.08 -0.07 -0.06 0.20 0.22 -0.21 -0.00 0.01 -0.07 0.02 -0.02 0.01 0.01 0.01 0.02 -0.02 0.03 -0.01 0.00 -0.04 0.00 -0.00 0.00 -0.01 -0.00 -0.00 -0.01 -0.02 0.01 -0.01 -0.02 0.01 -0.00 0.01 0.00 -0.01 0.01 0.01 0.00 -0.02 0.00 0.01 -0.02 0.00 -0.01 0.03 0.02 0.00 -0.00 0.01 -0.06 0.04 -0.04 0.04 0.00 -0.02 -0.04 -0.11 -0.06 0.03 -0.01 0.02 -0.05 0.00 -0.01 -0.01 0.01 0.01 0.01 -0.00 0.01 -0.00 -0.00 0.00 -0.00 -0.03 -0.04 0.01 0.04 0.02 0.05 -0.00 -0.04 -0.00 -0.17 0.08 -0.13 0.02 -0.02 0.00 -0.08 0.18 -0.18 0.15 -0.16 0.13 -0.02 -0.13 -0.13 0.01 0.18 0.03 -0.09 -0.15 0.09 0.02 0.25 0.18 0.20 -0.11 0.09 0.00 -0.05 -0.03 -0.01 -0.03 0.02 0.03 0.01 -0.02 -0.04 -0.02 0.02 0.02 0.02 -0.02 0.01 0.04 0.04 -0.00 0.02 -0.02 -0.00 -0.03 -0.03 0.02 -0.00 0.03 -0.07 -0.02 0.02 0.05 0.01 0.03 -0.02 0.03 0.03 0.03 -0.04 -0.01 0.00 -0.00 0.02 -0.03 -0.04 0.02 -0.18 0.22 -0.21 0.15 -0.17 -0.05 0.05 -0.07 0.07 -0.11 0.31 0.06 0.32 -0.15 -0.17 -0.01 0.03 0.01 0.00 0.04 0.01 -0.05 -0.03 -0.04 -0.03 -0.02 -0.05 0.01 0.05 0.02 0.03 0.02 -0.00 -0.07 -0.01 0.05 -0.05 0.03 -0.03 0.10 0.07 0.00 -0.02 -0.01 -0.05 0.01 -0.05 -0.00 0.00 0.01 0.01 -0.00 -0.01 -0.01 -0.05 0.01 -0.17 0.07 0.05 0.27 0.03 0.19 0.03 -0.18 -0.02 -0.01 0.05 -0.10 -0.08 -0.08 -0.12 -0.01 0.08 0.13 0.02 -0.02 -0.14 -0.03 0.01 -0.03 -0.05 0.06 -0.05 0.02 0.02 -0.01 0.02 -0.02 0.03 0.04 0.01 0.03 0.03 0.00 -0.01 0.02 0.02 0.01 -0.01 -0.00 -0.04 -0.04 -0.03 -0.00 -0.01 -0.00 0.02 0.01 0.01 0.01 -0.01 -0.01 -0.00 0.01 0.01 0.01 -0.01 -0.01 -0.00 0.01 0.00 -0.02 -0.01 0.12 0.19 0.36 0.04 0.18 -0.01 -0.10 -0.03 0.09 -0.41 -0.08 0.09 -0.03 0.00 0.08 0.05 -0.05 0.01 0.17 -0.26 -0.10 0.05 -0.07 0.01 -0.06 -0.21 -0.27 0.05 -0.05 -0.09 -0.02 0.02 0.04 -0.02 0.03 0.02 0.00 -0.04 -0.04 -0.06 -0.01 0.02 0.01 -0.01 -0.00 0.00 -0.01 0.00 0.01 0.02 0.01 0.00 0.01 0.01 0.01 -0.02 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.01 -0.00 -0.00 -0.01 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.01 -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 -0.00 -0.00 -0.00 0.01 0.00 0.00 0.01 -0.00 0.00 0.00 -0.00 0.00 0.01 -0.00 -0.01 -0.00 0.00 -0.00 -0.01 -0.00 0.00 -0.01 -0.00 -0.00 0.01 0.00 0.00 0.00 0.01 -0.00 -0.00 0.01 0.00 -0.08 0.02 -0.07 0.04 -0.03 0.05 0.06 -0.02 0.03 -0.11 0.04 -0.08 -0.10 0.05 -0.09 0.06 -0.01 0.06 -0.00 0.00 0.01 0.00 0.01 -0.00 0.00 0.00 -0.00 0.01 0.00 -0.00 -0.00 -0.00 -0.00 -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 -0.02 0.00 -0.00 -0.02 -0.01 0.01 0.01 0.00 0.01 -0.01 0.01 0.01 0.38 -0.17 0.31 0.39 -0.17 0.30 0.10 -0.07 0.08 0.11 -0.06 0.07 0.43 -0.18 0.35 0.00 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 0.01 -0.00 -0.01 -0.00 -0.01 0.00 -0.02 0.01 -0.01 0.01 0.01 -0.01 0.01 0.01 0.01 -0.01 -0.01 0.00 -0.01 -0.00 -0.00 0.00 0.02 -0.01 0.00 -0.01 0.00 -0.00 -0.00 0.00 -0.00 -0.01 -0.00 -0.00 0.02 0.00 0.01 -0.01 -0.00 -0.00 -0.03 -0.00 -0.00 -0.00 0.01 -0.00 -0.12 -0.05 0.14 -0.01 0.03 -0.01 0.08 0.05 -0.05 0.08 0.01 -0.06 -0.07 -0.02 0.07 -0.11 -0.08 0.09 0.04 0.01 -0.06 -0.00 0.01 0.00 0.00 0.01 -0.01 -0.01 0.00 0.01 0.00 0.01 -0.01 -0.01 0.00 0.00 -0.00 -0.01 -0.01 -0.02 -0.00 -0.02 0.02 -0.04 -0.01 0.01 0.00 0.00 -0.02 -0.00 0.00 -0.00 0.01 0.01 -0.00 0.01 0.01 0.01 -0.02 -0.00 0.00 0.00 0.01 -0.01 -0.01 -0.02 -0.02 0.01 -0.02 0.33 0.14 -0.32 0.42 0.16 -0.41 0.06 -0.02 -0.09 0.36 0.13 -0.35 0.03 -0.02 0.02 0.03 -0.02 0.03 0.03 0.00 0.03 0.03 -0.00 0.03 0.04 -0.03 0.03 0.13 0.03 0.01 0.11 0.06 -0.22 0.05 0.09 0.25 -0.08 -0.16 -0.01 -0.04 -0.05 0.10 -0.07 0.02 -0.05 -0.02 0.01 -0.02 0.02 0.04 0.00 -0.01 0.02 -0.03 0.14 -0.02 0.06 0.13 -0.07 -0.01 -0.08 0.00 -0.01 0.00 0.01 0.01 -0.19 -0.16 -0.00 0.05 0.07 -0.07 -0.30 -0.06 -0.05 0.03 0.04 0.14 -0.10 0.17 -0.02 0.01 -0.01 -0.03 0.01 -0.03 -0.09 -0.01 -0.05 -0.03 -0.03 -0.00 -0.03 -0.01 -0.00 0.01 0.02 0.07 0.03 0.02 0.03 0.03 -0.02 -0.02 -0.03 -0.01 -0.02 0.02 0.03 -0.01 -0.01 -0.03 -0.01 0.00 0.01 0.01 -0.03 0.01 0.03 0.03 0.04 0.07 -0.10 0.04 -0.28 0.05 -0.13 -0.04 0.00 -0.11 -0.07 0.01 -0.01 0.00 0.03 0.02 0.02 0.02 0.06 -0.03 -0.01 -0.00 0.05 0.04 -0.17 -0.44 -0.13 -0.01 0.01 0.19 -0.07 -0.06 0.00 -0.08 -0.07 0.03 0.01 0.05 0.09 -0.01 0.00 0.03 0.02 -0.00 0.04 0.02 0.01 0.01 -0.03 -0.03 -0.03 -0.03 -0.02 -0.05 0.02 0.02 0.03 -0.03 -0.01 -0.01 -0.05 -0.05 0.10 -0.02 -0.02 -0.09 0.05 0.06 0.00 0.01 -0.05 0.10 -0.09 0.08 -0.07 -0.07 0.04 -0.05 0.04 0.03 0.01 -0.01 -0.00 -0.00 -0.03 0.06 0.14 0.17 -0.08 -0.05 -0.05 -0.02 0.00 0.00 -0.00 0.00 0.00 0.08 -0.03 0.01 -0.06 -0.12 0.09 0.02 -0.01 0.11 0.02 0.20 0.04 -0.06 0.01 -0.03 -0.06 0.03 -0.05 0.00 -0.11 0.01 -0.11 -0.06 -0.06 0.01 -0.08 0.01 -0.01 0.03 -0.01 0.16 0.09 0.05 0.06 0.06 -0.03 -0.04 -0.05 -0.02 -0.05 0.05 0.06 -0.01 -0.03 -0.04 -0.05 0.04 0.05 -0.00 -0.05 0.03 0.05 0.06 -0.12 0.04 -0.01 0.19 -0.04 -0.06 -0.05 0.01 -0.04 0.03 0.02 -0.03 -0.12 -0.02 -0.04 -0.02 0.04 0.06 0.06 -0.09 -0.01 0.01 -0.02 0.06 0.01 0.12 -0.37 0.06 -0.05 0.29 0.02 -0.09 -0.12 0.05 -0.05 -0.16 0.09 0.15 0.11 0.07 0.02 -0.04 -0.11 0.06 -0.03 -0.07 0.08 -0.07 -0.17 -0.03 -0.16 -0.15 -0.02 -0.19 -0.15 0.13 -0.08 -0.01 -0.00 -0.00 -0.01 -0.02 0.04 -0.00 -0.01 -0.02 0.01 0.01 0.00 -0.04 -0.02 0.07 -0.04 0.02 -0.03 0.05 -0.04 0.01 -0.00 0.03 -0.00 -0.00 0.02 -0.02 -0.03 0.01 0.06 0.16 -0.12 -0.01 -0.01 -0.01 -0.00 0.00 0.01 -0.00 -0.03 0.05 -0.01 0.04 0.00 -0.05 0.02 0.02 -0.02 -0.12 0.09 0.07 0.01 -0.01 -0.00 -0.02 0.07 -0.05 0.07 -0.05 -0.04 -0.03 0.07 -0.02 0.07 0.01 0.03 -0.07 -0.01 -0.01 0.03 -0.10 -0.04 0.01 -0.05 -0.04 0.08 -0.00 0.08 -0.00 0.06 -0.06 -0.08 0.02 0.01 0.04 0.05 -0.03 -0.05 0.01 0.05 -0.05 -0.03 -0.07 -0.15 -0.01 -0.16 0.14 -0.19 -0.01 -0.02 0.01 -0.02 0.02 0.00 -0.02 -0.04 -0.01 -0.02 -0.04 0.06 0.08 0.06 -0.09 -0.01 0.01 -0.02 0.06 -0.02 0.06 -0.28 -0.19 0.16 0.10 -0.04 0.04 0.05 -0.13 -0.06 0.23 -0.18 -0.13 0.05 -0.04 -0.02 0.10 0.08 -0.03 0.02 0.04 -0.05 0.06 0.26 -0.01 0.24 0.24 -0.02 0.27 0.24 -0.16 0.17 -0.01 -0.00 -0.00 0.00 -0.01 0.00 0.00 0.00 0.00 -0.01 -0.00 -0.00 -0.08 -0.01 -0.02 -0.00 -0.07 0.00 0.03 0.00 0.02 0.01 0.02 -0.01 -0.02 0.02 -0.05 -0.08 -0.06 0.02 -0.01 -0.08 0.07 0.09 0.01 -0.01 -0.01 0.01 -0.01 0.00 0.03 0.00 0.12 0.19 0.02 0.04 0.02 -0.01 -0.04 -0.00 -0.00 -0.00 0.00 -0.00 -0.01 -0.02 0.03 0.01 0.01 -0.01 0.02 0.01 0.02 0.04 -0.01 -0.05 -0.03 -0.01 0.08 0.02 -0.02 -0.04 0.02 0.04 -0.05 -0.09 0.04 -0.07 0.01 -0.03 0.03 0.04 -0.01 0.00 -0.01 -0.02 0.01 0.02 -0.01 -0.02 0.05 -0.01 0.05 -0.13 -0.10 -0.07 -0.07 -0.26 0.06 0.15 0.03 0.02 0.00 0.01 0.02 0.13 0.03 0.02 -0.05 0.06 0.06 0.01 -0.05 -0.01 -0.00 -0.02 0.02 0.00 0.11 -0.13 -0.01 -0.01 -0.03 0.07 0.05 -0.07 -0.26 -0.08 0.24 -0.26 -0.14 0.30 -0.21 -0.03 0.17 -0.01 -0.00 0.01 0.01 0.00 -0.01 -0.21 0.06 -0.18 -0.21 0.06 -0.19 -0.24 0.12 -0.18 -0.01 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.01 -0.00 -0.00 -0.04 -0.03 0.02 -0.03 -0.04 -0.02 -0.02 -0.00 -0.00 -0.01 -0.01 0.01 -0.02 0.00 -0.02 -0.05 -0.03 0.02 -0.03 -0.06 0.03 0.07 0.01 -0.01 -0.00 0.00 -0.00 0.00 0.02 0.00 0.09 0.17 -0.00 0.03 0.01 -0.01 0.03 0.01 0.00 -0.00 0.00 -0.00 0.06 0.02 -0.07 0.00 -0.02 -0.01 -0.02 -0.01 0.01 -0.07 -0.02 0.06 0.07 0.03 -0.08 -0.03 -0.00 0.04 -0.06 -0.03 0.07 0.02 -0.01 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 -0.01 0.00 -0.01 -0.07 -0.05 -0.02 -0.09 -0.19 0.03 0.11 0.02 0.02 0.02 0.01 0.01 0.10 0.02 0.01 -0.02 0.02 0.02 -0.01 -0.01 0.00 -0.00 -0.00 0.00 0.00 0.07 -0.10 0.03 -0.01 0.01 -0.13 -0.06 0.12 0.32 0.10 -0.32 0.42 0.15 -0.41 0.29 0.09 -0.27 0.01 -0.00 0.00 -0.01 0.00 -0.01 0.06 -0.02 0.05 0.04 -0.01 0.04 0.06 -0.03 0.05 -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 -0.02 -0.03 -0.01 -0.03 0.00 -0.08 0.07 -0.06 0.01 -0.00 -0.00 -0.01 -0.01 -0.00 -0.02 -0.02 0.00 -0.08 0.01 0.02 0.05 0.01 -0.01 -0.00 0.00 0.00 0.01 -0.00 0.00 0.06 0.09 0.01 0.01 -0.00 0.00 0.09 -0.06 0.01 -0.00 0.00 0.00 -0.02 -0.05 0.07 -0.04 0.03 -0.01 0.02 -0.06 -0.02 0.00 0.02 -0.05 -0.04 -0.02 0.02 0.01 0.08 0.01 0.06 0.01 -0.02 0.14 -0.07 0.11 -0.04 0.00 -0.02 -0.02 0.01 -0.04 -0.02 -0.01 0.00 0.00 0.00 -0.03 -0.07 0.05 -0.05 0.02 -0.02 0.08 -0.10 -0.04 -0.01 0.09 0.01 0.02 -0.00 0.01 0.02 0.06 0.02 0.02 0.00 -0.01 -0.02 -0.03 0.04 0.01 -0.01 0.01 -0.02 0.01 0.02 0.04 0.14 -0.13 -0.01 0.11 -0.03 -0.09 -0.14 -0.03 0.10 -0.21 0.00 0.24 -0.18 -0.09 0.16 -0.05 0.02 -0.03 -0.03 0.02 -0.03 0.28 -0.16 0.22 0.30 -0.16 0.22 0.37 -0.15 0.30 0.03 0.00 0.00 -0.03 -0.04 0.07 -0.01 -0.05 -0.07 0.08 0.02 0.01 0.03 -0.07 0.03 -0.06 -0.02 0.00 0.02 -0.02 0.00 0.01 0.01 -0.01 0.04 -0.05 0.18 0.18 0.20 -0.09 -0.15 -0.11 -0.11 -0.06 -0.01 0.03 0.04 -0.07 0.02 -0.11 0.06 -0.04 0.12 0.14 -0.01 -0.11 0.06 0.00 -0.02 -0.01 -0.01 0.02 -0.00 0.00 -0.03 0.00 0.01 0.01 0.01 0.00 -0.00 0.02 -0.01 0.02 0.01 0.00 -0.02 -0.01 0.00 0.00 0.00 -0.00 0.01 -0.01 -0.01 -0.02 0.01 -0.02 0.01 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 0.00 0.25 0.34 0.04 -0.25 -0.35 -0.12 -0.12 -0.03 -0.00 0.05 0.00 -0.02 -0.13 -0.02 -0.01 0.15 -0.24 -0.24 -0.11 0.23 0.04 0.02 -0.01 -0.15 -0.11 -0.07 0.15 -0.04 0.01 -0.01 0.01 0.02 -0.02 -0.01 -0.00 0.03 -0.06 -0.01 0.03 -0.03 -0.01 0.03 0.01 0.00 -0.00 0.02 -0.01 0.02 -0.05 0.05 -0.03 -0.04 0.03 -0.01 -0.06 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 -0.01 -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 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.06 0.03 -0.05 0.06 -0.03 0.05 -0.04 0.03 -0.04 0.04 -0.02 0.05 -0.00 -0.01 -0.00 0.00 0.00 0.01 -0.00 0.01 -0.01 0.01 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -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 0.01 0.01 -0.02 -0.00 -0.00 0.01 -0.01 0.00 0.01 -0.00 -0.00 0.01 0.40 -0.18 0.31 -0.40 0.18 -0.31 0.33 -0.13 0.27 -0.34 0.16 -0.26 -0.01 -0.00 -0.00 0.01 0.00 0.00 -0.01 -0.02 0.03 -0.00 -0.03 -0.04 0.03 0.01 0.00 -0.09 0.08 -0.06 0.07 -0.04 0.03 -0.02 0.23 0.09 -0.01 0.01 -0.00 0.03 0.05 0.02 0.05 0.03 -0.08 0.11 -0.06 0.07 -0.09 -0.00 0.01 0.04 -0.04 -0.03 -0.06 0.05 -0.02 -0.05 -0.03 0.06 -0.05 0.04 -0.00 -0.10 0.05 -0.01 0.00 0.01 0.00 0.05 0.01 -0.01 0.03 -0.02 0.01 0.07 0.01 0.03 -0.01 -0.03 -0.02 0.07 0.02 0.07 -0.04 -0.11 -0.06 -0.04 -0.02 -0.01 0.05 -0.00 0.05 -0.09 -0.08 0.04 0.09 -0.01 -0.09 -0.12 -0.14 0.04 0.11 -0.04 -0.15 -0.03 0.10 0.02 -0.04 0.02 -0.24 0.04 -0.20 0.16 -0.17 -0.04 -0.01 -0.03 -0.02 -0.01 -0.05 -0.03 -0.02 0.00 -0.02 -0.00 0.03 -0.06 -0.02 0.05 -0.10 -0.04 -0.06 0.01 0.09 -0.08 0.06 -0.03 -0.13 -0.06 0.24 -0.05 0.06 -0.01 0.08 -0.09 -0.14 0.06 -0.01 -0.14 -0.08 -0.07 0.06 -0.07 0.07 -0.20 0.09 -0.34 0.02 0.06 -0.24 -0.16 0.14 0.02 0.16 0.01 0.00 0.00 -0.01 -0.02 0.03 -0.00 -0.04 -0.04 0.04 0.01 0.00 -0.13 0.10 -0.11 0.10 -0.06 0.04 -0.04 -0.13 -0.11 -0.01 -0.02 0.02 0.04 0.09 -0.01 0.03 -0.01 -0.11 0.11 -0.05 0.18 -0.10 0.01 0.01 0.06 -0.06 -0.05 -0.07 0.05 -0.05 -0.07 0.01 0.09 -0.06 0.06 0.01 0.13 0.02 0.06 -0.01 0.03 0.01 0.04 -0.04 0.02 -0.04 -0.01 -0.02 0.02 -0.05 -0.02 -0.03 -0.03 -0.03 -0.03 -0.01 -0.02 0.02 0.08 0.05 0.00 0.06 0.02 -0.01 -0.02 -0.02 0.05 0.05 -0.03 -0.04 -0.00 0.06 0.06 0.09 -0.03 -0.07 0.03 0.09 -0.00 -0.04 -0.02 -0.07 -0.06 -0.29 0.00 -0.26 0.34 -0.22 -0.06 0.00 -0.08 -0.05 0.00 0.01 -0.03 -0.01 -0.02 -0.01 0.01 0.02 -0.10 -0.03 0.08 -0.17 -0.08 -0.09 0.05 0.28 0.25 -0.11 0.00 -0.08 -0.07 0.05 -0.00 -0.08 -0.04 0.11 0.06 0.12 0.01 0.08 0.04 0.05 0.05 -0.03 -0.05 0.00 0.06 0.03 0.16 0.06 -0.02 0.14 0.11 0.00 -0.04 -0.02 -0.00 -0.00 0.00 0.00 0.01 -0.01 0.00 0.01 0.01 -0.01 -0.00 -0.00 0.02 -0.01 -0.01 -0.01 0.00 -0.00 -0.00 -0.01 -0.02 0.02 0.03 -0.02 0.00 0.00 0.00 -0.02 0.00 0.01 -0.01 -0.01 -0.01 0.00 0.01 0.01 -0.00 -0.00 -0.00 0.01 -0.01 -0.03 0.02 0.01 -0.01 0.03 -0.01 0.01 -0.06 -0.06 0.02 0.00 -0.01 0.01 -0.02 -0.03 0.04 0.02 0.03 0.01 0.12 0.03 -0.09 0.02 0.01 -0.03 -0.04 -0.01 0.04 -0.01 0.01 0.02 -0.02 0.01 0.01 -0.00 -0.00 -0.01 0.01 0.00 -0.00 -0.00 -0.00 0.01 0.01 0.01 -0.00 -0.01 0.00 0.01 -0.00 -0.00 -0.00 0.03 0.02 0.10 0.04 0.09 -0.05 -0.06 -0.02 -0.01 0.04 -0.01 -0.01 0.04 -0.01 -0.02 0.00 0.00 0.01 0.01 -0.01 -0.00 -0.00 0.01 0.01 -0.00 0.03 0.15 -0.07 -0.07 0.04 -0.60 -0.23 0.63 -0.14 -0.04 0.14 0.08 0.03 -0.04 0.11 0.05 -0.12 0.01 0.01 -0.00 -0.02 0.00 -0.00 0.01 0.01 0.01 -0.00 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 0.01 -0.00 0.00 -0.00 0.02 0.01 0.00 -0.01 -0.01 0.01 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -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 -0.00 -0.00 0.00 0.01 -0.01 -0.01 -0.01 -0.00 0.03 0.02 -0.04 -0.08 -0.03 0.08 -0.05 -0.02 0.05 0.00 -0.01 -0.01 0.08 0.03 -0.08 -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 -0.01 -0.01 -0.00 -0.00 -0.00 0.01 -0.02 -0.01 -0.00 0.01 -0.00 -0.00 0.01 -0.01 -0.01 -0.00 0.00 0.00 0.00 -0.01 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.02 0.03 -0.01 -0.20 -0.07 0.19 0.46 0.15 -0.46 -0.02 -0.01 0.00 -0.46 -0.15 0.44 0.02 -0.02 0.02 0.02 -0.01 0.01 -0.01 -0.00 -0.01 -0.01 -0.00 -0.01 -0.02 0.01 -0.02 -0.01 -0.00 0.00 0.01 0.02 -0.03 0.00 -0.01 -0.01 -0.02 -0.00 -0.00 0.01 -0.02 0.00 -0.02 -0.00 -0.02 0.01 0.01 0.02 -0.01 -0.01 0.01 0.02 0.01 -0.01 -0.03 0.01 0.04 0.02 -0.05 0.04 -0.03 0.01 0.00 0.00 0.01 -0.01 0.00 -0.02 -0.16 0.04 0.03 -0.03 0.03 -0.02 0.06 0.01 0.03 0.02 0.01 -0.01 0.04 -0.01 0.01 -0.01 -0.00 -0.01 -0.01 -0.04 0.00 0.01 0.00 0.00 0.01 0.00 0.01 -0.01 0.00 -0.01 -0.01 0.01 -0.01 -0.00 0.01 0.00 0.01 -0.01 0.00 -0.00 -0.00 0.00 -0.01 -0.00 -0.01 0.00 0.01 -0.00 -0.01 0.01 -0.00 0.01 0.08 0.01 0.23 0.14 0.21 -0.03 -0.07 -0.02 -0.00 -0.01 -0.02 -0.00 -0.00 0.00 0.01 -0.03 0.05 0.05 0.02 -0.05 -0.01 0.01 -0.02 0.02 -0.06 0.12 0.86 0.00 0.04 0.02 0.11 0.06 -0.15 0.02 0.01 -0.01 -0.04 -0.01 -0.01 0.00 -0.01 0.02 0.04 -0.03 0.04 0.05 -0.02 0.02 -0.01 -0.01 -0.01 -0.01 -0.00 -0.02 -0.04 0.02 -0.03 -0.01 -0.00 -0.00 0.00 0.02 -0.02 -0.00 0.03 0.03 -0.04 -0.00 -0.00 -0.04 -0.00 -0.12 0.02 -0.03 0.05 -0.00 0.02 0.01 -0.04 -0.05 0.05 0.01 -0.01 0.02 0.01 0.04 -0.02 -0.03 -0.01 -0.06 -0.01 -0.00 0.01 -0.00 -0.00 0.01 0.00 -0.02 0.05 0.04 -0.01 0.03 0.07 -0.05 -0.00 0.10 0.18 0.10 0.02 -0.04 -0.01 -0.04 0.02 0.01 -0.05 -0.05 -0.04 -0.00 -0.00 -0.05 0.01 -0.00 -0.03 -0.02 0.01 -0.01 0.01 -0.04 -0.01 0.00 -0.01 0.02 0.06 -0.02 0.05 -0.07 0.03 -0.05 -0.06 0.03 -0.06 0.00 -0.01 0.01 0.01 -0.01 -0.00 0.05 -0.02 0.04 0.07 0.15 0.10 0.02 0.07 -0.19 -0.02 -0.01 0.00 0.02 0.00 -0.00 -0.01 -0.01 -0.01 0.02 -0.04 -0.04 -0.02 0.06 0.02 -0.01 0.02 -0.01 0.02 -0.01 -0.24 0.21 0.15 0.00 -0.15 -0.05 0.08 -0.10 -0.04 0.08 0.00 -0.05 -0.01 0.11 0.06 -0.01 0.33 -0.16 0.27 0.34 -0.15 0.26 -0.04 0.00 -0.04 -0.04 0.00 -0.04 -0.30 0.14 -0.24 -0.01 -0.00 -0.00 0.01 0.02 -0.02 -0.00 0.03 0.03 -0.04 -0.00 -0.00 -0.03 0.00 -0.07 0.01 -0.02 0.03 0.01 -0.03 -0.00 -0.02 -0.02 0.02 0.01 -0.01 0.02 0.00 0.05 -0.01 -0.02 -0.03 -0.05 -0.02 -0.00 0.01 -0.00 0.00 0.01 -0.00 -0.02 0.01 0.04 -0.00 0.02 0.08 -0.05 0.01 0.01 0.12 0.06 0.02 -0.05 -0.00 0.00 0.01 -0.00 -0.01 -0.03 -0.02 0.01 -0.01 0.01 -0.01 -0.02 -0.01 0.01 -0.00 0.01 0.01 -0.03 -0.00 -0.01 0.03 -0.00 -0.07 0.03 -0.06 0.08 -0.03 0.06 0.07 -0.03 0.06 -0.00 0.01 -0.01 -0.01 0.01 0.00 -0.06 0.02 -0.05 0.07 0.15 0.12 0.06 0.11 -0.18 -0.02 -0.00 -0.00 0.02 0.01 -0.01 -0.03 -0.01 -0.01 0.00 -0.01 -0.01 -0.02 0.04 0.01 -0.00 0.01 -0.00 0.00 0.02 -0.07 0.05 0.13 0.01 0.03 -0.00 0.01 0.01 -0.02 -0.03 0.07 -0.05 0.05 -0.01 0.05 0.04 -0.38 0.18 -0.31 -0.39 0.18 -0.30 0.04 -0.00 0.04 0.03 -0.00 0.04 0.34 -0.15 0.27 -0.04 0.00 -0.00 0.02 0.06 -0.06 -0.00 0.07 0.08 -0.13 -0.01 -0.02 0.01 0.01 0.08 -0.01 0.01 -0.03 -0.02 0.01 -0.01 0.03 0.04 -0.03 0.08 0.10 0.07 0.00 0.09 -0.10 0.01 -0.06 0.06 -0.13 0.02 0.02 0.09 -0.06 -0.03 -0.08 -0.01 0.04 -0.03 0.03 -0.01 0.27 -0.14 0.02 -0.05 -0.14 -0.07 0.08 -0.11 -0.00 0.03 -0.02 -0.01 0.03 0.04 0.02 -0.02 -0.00 0.04 -0.01 0.01 0.01 0.01 -0.00 -0.01 -0.00 0.04 0.00 0.01 -0.01 -0.01 0.02 -0.01 0.01 -0.01 0.01 -0.01 -0.02 0.01 -0.01 0.00 0.00 0.00 0.00 -0.00 0.00 0.01 -0.00 0.01 -0.00 0.27 -0.09 -0.06 -0.20 0.17 -0.32 -0.09 -0.00 -0.02 -0.06 -0.01 0.02 -0.06 -0.04 -0.08 -0.03 -0.04 -0.12 0.04 0.04 0.13 -0.32 -0.20 -0.08 0.16 -0.30 -0.11 -0.15 0.00 0.16 0.07 -0.15 0.06 0.03 -0.05 -0.04 0.05 0.00 -0.05 -0.06 -0.01 0.08 -0.03 0.06 0.08 -0.04 0.07 -0.00 0.00 -0.00 -0.01 0.00 -0.00 -0.07 0.03 -0.05 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.01 -0.00 -0.00 0.06 -0.05 0.06 -0.02 0.03 -0.04 0.06 0.00 0.07 -0.03 -0.06 0.04 -0.03 0.06 0.01 0.00 -0.02 0.03 -0.01 0.09 0.06 0.02 0.04 0.00 0.03 -0.06 -0.03 -0.03 0.01 -0.02 -0.04 -0.01 -0.03 0.03 -0.01 0.01 0.18 0.07 -0.06 0.01 0.00 0.01 -0.11 0.02 0.02 -0.06 -0.03 -0.01 -0.04 0.05 -0.09 0.05 0.04 0.01 -0.03 0.01 -0.02 -0.00 -0.03 -0.02 0.01 -0.07 0.02 -0.03 0.03 -0.01 0.01 -0.01 0.03 0.03 -0.00 0.01 -0.01 -0.02 0.01 0.01 -0.01 -0.02 -0.02 0.00 -0.02 -0.15 -0.15 -0.24 -0.26 -0.45 0.24 -0.15 -0.07 0.01 0.05 -0.06 -0.00 0.20 -0.02 -0.03 0.07 -0.10 -0.08 0.02 -0.02 -0.03 0.03 -0.04 -0.06 -0.04 0.06 0.08 0.19 0.12 -0.11 -0.29 0.01 0.05 -0.10 -0.02 0.16 -0.17 0.01 -0.08 0.13 -0.01 -0.06 -0.12 0.03 -0.07 -0.09 0.05 -0.11 -0.02 -0.02 -0.02 0.00 -0.02 -0.03 0.09 -0.05 0.07 0.01 -0.00 0.00 -0.00 -0.01 0.02 0.00 -0.01 -0.01 0.03 0.00 0.00 0.01 -0.02 0.05 -0.02 -0.00 -0.03 0.03 0.00 0.03 -0.01 -0.02 0.01 0.08 0.02 -0.02 -0.05 -0.04 -0.11 -0.01 -0.09 0.08 -0.09 -0.02 -0.00 0.04 0.06 0.00 0.04 -0.01 0.07 0.01 0.05 -0.01 -0.06 0.03 -0.03 0.08 -0.01 -0.04 -0.02 0.02 -0.02 -0.04 0.00 0.00 -0.02 -0.00 -0.00 -0.03 0.03 -0.04 0.02 0.02 0.01 -0.01 0.01 -0.01 -0.00 -0.00 -0.01 0.01 -0.04 0.01 -0.01 0.02 -0.00 0.00 -0.00 0.01 0.01 0.00 0.00 -0.00 -0.01 0.00 0.01 -0.00 -0.01 -0.01 -0.00 -0.01 0.20 0.10 0.34 0.26 0.56 0.06 -0.04 0.02 0.00 -0.11 0.01 0.01 -0.12 0.00 0.02 -0.21 0.18 0.13 -0.15 0.02 0.07 0.07 -0.24 -0.09 0.07 -0.08 -0.26 0.08 0.01 -0.05 -0.14 0.02 -0.01 -0.02 -0.00 0.06 -0.10 0.02 -0.04 0.05 -0.02 -0.03 -0.04 0.01 -0.02 -0.03 0.02 -0.04 -0.02 -0.01 -0.01 0.01 -0.01 -0.01 0.03 -0.02 0.02 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.01 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.04 -0.06 -0.03 0.03 -0.00 0.02 0.02 0.04 -0.00 -0.02 -0.08 -0.06 0.03 0.07 0.07 -0.03 0.01 -0.03 -0.01 -0.02 -0.00 0.03 -0.00 0.01 0.01 0.01 -0.01 0.01 0.00 0.01 -0.01 0.00 0.00 -0.00 -0.00 -0.00 0.01 -0.01 -0.01 0.01 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.01 0.00 -0.01 0.01 -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 -0.04 0.01 -0.09 -0.11 -0.24 0.07 0.46 0.15 0.07 -0.41 0.10 0.08 -0.27 0.11 0.16 -0.21 0.08 -0.01 -0.29 0.24 0.16 0.06 -0.22 -0.19 -0.04 0.08 0.10 0.01 0.01 -0.01 -0.05 -0.04 0.07 -0.01 -0.00 0.03 0.03 0.00 -0.02 -0.01 0.02 0.01 -0.02 0.01 -0.01 0.02 -0.01 0.01 0.01 -0.01 0.01 -0.02 0.01 -0.02 0.01 -0.00 0.01 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.06 0.03 -0.05 0.06 -0.03 0.05 0.07 -0.03 0.06 -0.07 0.03 -0.06 0.00 -0.01 0.00 -0.00 0.00 -0.01 -0.01 -0.02 0.00 0.02 0.01 0.00 -0.02 0.00 0.00 -0.01 0.00 0.01 -0.01 0.00 -0.00 -0.01 0.01 0.01 0.00 -0.01 -0.01 -0.00 0.01 0.01 -0.00 -0.00 0.00 0.00 -0.00 -0.01 -0.01 -0.00 0.01 0.01 0.00 -0.02 -0.01 -0.00 0.01 0.32 -0.14 0.26 -0.33 0.16 -0.26 -0.38 0.17 -0.31 0.41 -0.18 0.33 -0.02 0.00 -0.02 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.01 0.01 0.01 0.00 -0.00 0.00 -0.01 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.01 -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 -0.01 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.02 -0.00 -0.01 -0.04 -0.02 0.05 0.00 -0.00 0.00 0.09 0.03 -0.09 -0.06 -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 -0.01 0.00 -0.01 0.00 -0.00 -0.01 0.02 0.01 -0.00 -0.00 0.01 0.00 -0.03 0.00 0.00 -0.01 0.01 0.01 -0.00 -0.00 0.00 -0.00 0.00 0.01 -0.00 0.00 0.01 -0.01 0.00 -0.01 -0.04 -0.04 0.07 0.28 0.09 -0.27 -0.52 -0.18 0.53 0.32 0.12 -0.31 0.01 -0.00 0.01 -0.01 0.00 -0.00 -0.01 0.00 -0.01 0.01 -0.00 0.01 -0.01 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.01 0.01 0.00 -0.01 -0.01 0.01 -0.00 0.00 0.09 -0.06 -0.14 -0.00 0.01 -0.01 0.03 -0.00 0.03 0.03 0.04 -0.02 0.00 0.04 0.00 -0.05 -0.06 -0.04 -0.02 0.06 0.09 -0.02 0.05 -0.05 0.03 -0.05 0.04 0.00 0.01 0.03 0.00 -0.02 -0.03 -0.01 0.02 -0.01 -0.10 -0.03 0.22 -0.01 0.02 0.00 0.02 0.01 -0.04 0.02 0.03 -0.00 -0.06 -0.01 -0.04 0.01 0.02 0.05 -0.02 0.01 -0.02 -0.00 0.00 -0.02 0.00 -0.01 -0.00 -0.01 0.01 -0.00 -0.02 0.01 0.03 0.02 0.03 -0.02 0.02 -0.02 0.02 0.03 -0.01 0.01 -0.03 -0.02 -0.04 0.09 0.01 0.20 -0.09 -0.09 0.08 -0.08 -0.10 0.13 -0.24 -0.14 0.06 0.37 0.01 0.05 0.07 -0.19 -0.21 -0.14 0.26 0.07 0.02 -0.02 -0.18 0.01 0.02 -0.06 -0.07 -0.16 0.26 -0.05 0.04 -0.18 0.12 0.06 -0.06 -0.13 0.02 -0.03 0.02 0.01 0.01 0.01 -0.02 0.06 0.07 0.00 0.01 -0.14 0.05 -0.11 -0.13 0.06 -0.12 0.17 -0.11 0.12 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.03 0.03 0.02 0.01 -0.01 0.01 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.01 -0.00 0.02 0.02 0.01 0.01 -0.02 -0.03 0.01 -0.01 0.01 -0.02 0.01 -0.01 -0.00 -0.00 -0.01 0.00 0.00 0.01 0.01 -0.01 0.00 0.03 -0.02 -0.03 0.01 -0.01 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.01 0.00 -0.01 0.01 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.01 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.03 0.01 -0.01 -0.01 0.02 -0.02 0.06 -0.03 0.05 0.06 -0.03 0.05 -0.07 0.02 -0.07 -0.02 0.01 -0.05 0.03 0.02 -0.04 0.03 0.03 -0.03 0.06 0.04 -0.01 -0.09 -0.00 -0.01 0.00 0.04 0.04 0.05 -0.06 -0.02 -0.02 0.04 0.06 -0.00 -0.00 0.01 0.03 -0.03 -0.03 -0.03 0.00 -0.01 -0.00 -0.00 0.02 -0.01 0.02 -0.02 -0.00 -0.01 -0.00 0.15 -0.08 0.14 0.16 -0.06 0.11 -0.38 0.17 -0.31 -0.35 0.15 -0.28 0.43 -0.21 0.34 -0.00 -0.00 0.00 -0.00 -0.00 0.01 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.02 -0.02 -0.01 -0.00 0.00 -0.01 -0.02 -0.00 -0.02 -0.00 0.00 0.00 0.01 -0.00 -0.01 -0.01 -0.03 -0.00 0.00 0.02 0.02 -0.00 0.01 -0.03 0.01 -0.00 0.03 -0.00 0.01 0.00 0.01 -0.01 -0.01 -0.00 0.01 -0.00 -0.02 0.02 0.02 -0.00 0.01 -0.01 0.03 -0.03 0.01 0.00 -0.00 -0.00 0.04 0.32 0.15 -0.24 -0.08 -0.25 0.00 0.00 0.01 0.02 0.03 0.01 0.18 -0.25 0.11 -0.01 -0.00 -0.01 0.05 -0.01 -0.09 -0.06 -0.08 0.03 0.02 -0.00 0.01 0.00 -0.00 0.01 -0.01 0.10 0.04 0.03 0.01 0.08 -0.03 -0.05 0.01 0.02 -0.02 0.05 -0.13 -0.04 0.03 0.11 0.02 0.03 0.00 -0.06 -0.08 -0.09 0.14 0.05 0.01 -0.02 -0.08 -0.00 0.02 0.01 -0.07 0.10 0.02 -0.03 0.33 0.16 -0.21 -0.07 -0.30 0.01 -0.01 0.10 0.20 -0.29 0.05 0.11 -0.04 -0.06 -0.05 -0.08 0.06 -0.07 0.04 -0.08 -0.07 0.02 -0.04 0.08 0.06 0.12 0.00 -0.00 0.00 -0.00 -0.00 0.01 0.00 -0.00 -0.00 0.01 0.00 0.00 0.09 -0.08 0.02 -0.03 0.02 -0.04 -0.05 0.01 -0.04 -0.02 -0.03 0.02 0.01 0.05 0.01 -0.04 -0.03 -0.01 -0.02 0.02 0.05 -0.02 0.03 -0.00 0.05 -0.02 -0.01 0.02 -0.00 0.01 -0.01 0.01 -0.04 -0.02 0.01 -0.00 -0.05 0.13 -0.05 -0.01 0.01 -0.01 -0.01 0.02 0.02 -0.00 -0.03 -0.00 0.07 -0.12 0.03 0.04 -0.00 0.03 0.04 -0.01 0.04 0.01 -0.04 -0.00 -0.08 0.13 -0.04 0.01 0.00 0.01 0.12 -0.03 -0.21 -0.15 -0.17 0.07 0.02 -0.02 0.02 0.02 -0.01 0.01 -0.02 0.23 0.10 -0.00 -0.06 0.05 -0.05 -0.01 0.10 -0.13 -0.06 0.02 -0.02 -0.06 0.01 0.14 -0.01 -0.01 -0.05 -0.01 -0.02 -0.07 0.03 0.03 0.06 -0.15 -0.10 0.02 -0.01 -0.02 -0.09 0.26 -0.09 0.23 -0.17 0.12 -0.00 0.02 0.07 0.17 -0.10 0.12 -0.07 0.16 -0.02 0.25 -0.09 -0.12 -0.08 -0.21 0.15 -0.13 0.05 -0.14 -0.13 0.02 -0.09 0.14 0.16 0.23 -0.00 -0.00 -0.00 0.00 0.00 -0.01 -0.00 0.00 0.00 -0.01 -0.00 -0.00 -0.10 0.09 -0.02 0.03 -0.02 0.04 0.06 0.00 0.07 0.03 0.03 -0.02 -0.01 -0.05 -0.02 0.04 0.02 -0.00 0.04 -0.02 -0.04 0.02 -0.02 -0.01 -0.06 0.01 0.02 -0.03 0.01 -0.00 0.01 -0.01 0.04 0.02 -0.01 0.00 0.07 -0.15 0.07 0.01 -0.01 0.01 -0.01 0.00 -0.04 0.00 0.04 0.00 -0.12 0.02 -0.11 0.06 0.04 0.08 -0.04 0.02 -0.03 -0.03 0.03 -0.01 0.02 -0.06 -0.01 -0.01 0.05 0.01 0.12 -0.04 -0.14 -0.09 -0.14 0.07 -0.04 -0.03 0.01 0.02 -0.01 -0.05 0.01 0.16 0.09 0.05 0.10 0.01 0.07 0.02 -0.10 0.12 0.04 0.00 -0.03 0.02 0.00 -0.05 0.02 0.02 0.12 -0.06 -0.04 0.08 0.03 -0.03 -0.09 0.23 0.11 -0.03 0.03 -0.00 0.13 -0.33 0.12 -0.32 0.08 -0.26 0.10 0.03 0.06 -0.25 0.12 -0.22 0.00 -0.08 -0.02 0.04 -0.01 -0.21 -0.19 -0.10 0.01 0.04 -0.06 0.05 0.08 -0.06 0.01 -0.05 0.19 0.05 -0.00 -0.00 -0.00 -0.00 -0.01 0.01 -0.00 -0.00 -0.00 -0.01 -0.00 -0.00 -0.04 0.03 0.07 -0.00 0.00 -0.01 -0.01 0.00 -0.01 -0.01 -0.01 0.01 -0.00 -0.04 -0.03 0.01 -0.04 -0.03 0.08 -0.02 0.03 -0.00 0.03 -0.07 -0.07 -0.04 0.08 -0.05 0.03 0.00 0.01 -0.02 -0.01 0.03 0.02 -0.00 0.03 0.01 -0.09 0.02 0.02 -0.00 -0.01 0.00 0.01 -0.00 -0.01 -0.00 0.03 -0.02 0.01 0.01 -0.00 -0.00 0.01 -0.00 0.01 0.00 -0.00 0.00 -0.02 0.02 -0.01 0.00 -0.01 -0.00 -0.01 0.00 0.01 0.01 0.01 -0.01 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.01 -0.01 0.18 0.18 0.27 0.13 0.08 -0.00 0.02 -0.08 0.14 -0.28 -0.14 0.06 0.35 0.02 0.07 0.28 -0.29 -0.26 0.02 0.30 0.01 -0.13 0.39 0.02 -0.05 0.08 -0.03 -0.01 0.07 -0.08 0.04 -0.04 0.07 -0.02 -0.02 0.03 0.05 -0.02 0.03 -0.02 0.02 -0.01 0.00 0.00 0.02 0.02 0.01 0.00 -0.01 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 0.00 -0.00 0.00 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 0.01 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.01 0.00 0.01 -0.00 -0.01 -0.01 -0.00 -0.00 -0.00 0.00 0.00 0.01 -0.00 0.00 -0.00 -0.00 0.01 0.00 0.06 0.07 -0.03 -0.06 0.01 0.07 -0.12 -0.08 0.10 0.12 0.04 -0.12 -0.00 -0.11 -0.06 -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 -0.01 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.01 -0.00 0.00 -0.00 0.00 -0.01 0.02 -0.00 0.02 -0.00 0.02 -0.00 -0.01 -0.01 0.02 -0.00 0.02 -0.00 0.00 0.00 0.22 0.45 0.00 -0.17 0.22 0.36 -0.24 0.12 0.35 0.24 0.39 -0.11 0.01 -0.12 -0.07 0.00 -0.00 -0.00 0.04 0.09 -0.17 0.01 -0.10 -0.17 0.02 0.00 -0.05 -0.06 0.05 0.03 -0.00 0.00 0.02 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.01 0.04 0.02 -0.06 0.00 0.04 0.00 -0.00 -0.06 -0.01 0.04 0.00 0.07 -0.02 0.03 0.06 -0.02 0.04 0.05 -0.04 -0.01 -0.02 -0.01 -0.09 0.02 -0.01 -0.03 -0.12 0.01 0.67 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.01 0.00 -0.01 -0.00 0.00 -0.00 -0.00 -0.00 0.01 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.07 -0.00 0.03 -0.01 -0.11 -0.25 -0.13 -0.06 0.02 0.03 -0.06 -0.00 0.16 -0.02 -0.02 -0.08 -0.06 -0.09 -0.17 0.16 0.09 0.09 -0.21 -0.20 0.08 -0.08 -0.28 -0.01 0.00 -0.01 0.02 0.00 0.00 0.01 -0.02 -0.01 0.01 0.00 0.00 -0.01 -0.01 -0.02 0.01 0.02 0.00 0.01 -0.01 0.00 -0.00 -0.00 0.00 0.00 0.02 -0.00 0.01 0.00 -0.01 -0.01 0.00 -0.00 0.00 0.01 -0.02 -0.00 -0.02 -0.03 -0.03 -0.01 -0.01 0.09 -0.07 -0.04 -0.00 -0.00 -0.03 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.02 -0.05 -0.03 0.08 -0.01 -0.08 0.00 0.02 0.10 0.01 -0.07 0.02 -0.11 0.03 -0.04 -0.09 0.04 0.03 -0.06 0.05 0.00 0.05 -0.00 -0.02 -0.02 0.03 0.04 0.05 0.02 0.12 -0.01 -0.00 0.00 -0.00 -0.00 0.00 0.01 0.01 0.01 -0.01 0.00 -0.01 -0.00 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 0.19 0.13 0.10 -0.04 0.03 0.41 0.19 0.11 -0.08 0.06 0.13 -0.02 -0.33 0.01 0.00 0.13 0.08 0.14 0.28 -0.25 -0.15 -0.14 0.34 0.31 -0.09 0.09 -0.11 -0.00 0.03 0.01 0.01 -0.01 0.04 -0.01 0.02 -0.01 0.01 -0.01 0.02 0.02 0.02 0.02 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 0.01 0.00 -0.00 0.00 0.01 -0.00 0.00 -0.04 0.03 0.02 -0.00 0.01 0.01 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.01 0.01 -0.03 -0.06 -0.05 -0.05 0.04 0.07 0.00 0.00 -0.02 0.06 0.01 0.01 -0.01 0.01 -0.01 0.00 0.05 -0.05 -0.03 -0.01 0.00 0.00 0.00 -0.00 -0.01 -0.01 0.02 -0.02 -0.00 0.01 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.30 0.22 0.59 -0.19 -0.52 -0.07 -0.06 0.05 -0.12 0.27 0.09 -0.06 -0.21 -0.05 -0.09 -0.05 0.04 0.02 -0.01 -0.01 0.00 0.02 -0.04 -0.03 0.01 0.02 0.03 -0.03 0.01 0.02 0.02 -0.00 0.00 0.00 -0.01 -0.00 0.01 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.01 -0.00 0.01 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -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 0.03 0.01 -0.03 -0.03 0.07 0.07 -0.03 -0.10 -0.02 -0.03 -0.07 0.00 -0.04 0.03 0.07 0.06 0.03 -0.05 0.00 0.01 0.00 -0.00 -0.01 0.01 0.01 0.00 0.00 -0.00 0.00 0.00 -0.01 0.00 0.00 0.01 -0.00 -0.00 0.01 -0.00 -0.00 -0.00 0.01 0.01 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.13 0.49 0.11 0.11 -0.36 -0.35 0.05 -0.23 -0.19 0.04 0.24 0.09 0.35 0.18 -0.33 0.00 -0.00 0.00 0.01 0.02 -0.02 0.01 0.02 0.02 0.05 0.02 0.01 0.00 0.00 0.01 -0.00 0.00 -0.01 0.01 -0.01 0.00 0.00 0.01 -0.01 -0.00 0.00 0.00 -0.01 0.02 -0.01 0.01 -0.00 0.02 0.00 -0.01 -0.01 -0.01 -0.01 0.00 0.02 0.01 -0.00 -0.01 0.00 0.00 -0.01 0.01 0.00 0.00 -0.04 -0.01 -0.11 -0.12 -0.01 -0.01 0.04 0.01 0.01 0.01 0.01 -0.00 -0.07 -0.03 -0.08 0.09 -0.05 -0.01 0.02 -0.01 0.00 -0.11 -0.04 0.07 0.02 0.08 -0.01 -0.01 -0.01 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.01 0.06 -0.00 -0.01 -0.04 0.04 0.06 0.02 0.01 -0.04 0.02 0.01 -0.03 0.01 0.02 0.04 -0.03 -0.02 0.03 -0.00 -0.02 -0.02 0.06 0.02 0.02 0.01 0.00 0.02 -0.12 0.01 0.05 -0.09 0.01 -0.22 0.51 -0.06 0.00 -0.12 -0.03 0.32 0.44 0.48 -0.00 0.00 -0.01 -0.00 0.02 0.03 -0.01 0.02 0.02 -0.00 0.01 -0.00 -0.01 -0.01 0.02 -0.01 0.00 -0.00 -0.03 -0.06 0.05 -0.02 -0.06 -0.05 -0.12 -0.04 -0.01 -0.02 0.02 0.01 0.00 -0.00 0.02 0.00 -0.01 0.00 0.00 0.01 -0.01 0.00 -0.00 -0.00 0.03 -0.06 0.03 -0.03 -0.00 -0.05 -0.01 0.03 0.02 0.04 0.02 0.00 -0.04 -0.03 0.01 0.03 -0.01 -0.00 0.02 -0.01 -0.00 0.00 -0.03 -0.01 0.29 0.31 0.03 -0.00 0.03 0.00 0.01 0.00 0.01 -0.00 -0.06 -0.02 -0.06 0.07 -0.04 -0.01 0.01 -0.00 -0.00 -0.09 -0.03 0.05 0.02 0.06 -0.00 -0.01 -0.01 0.00 0.01 0.01 -0.00 -0.02 0.00 0.00 -0.00 -0.00 -0.01 0.00 0.01 0.01 0.01 -0.00 0.02 -0.18 -0.00 0.03 0.13 -0.13 -0.17 -0.05 -0.02 0.11 -0.05 -0.02 0.09 -0.04 -0.06 -0.11 0.07 0.03 -0.09 0.01 0.05 0.06 -0.16 -0.08 -0.04 -0.03 -0.02 0.01 -0.11 0.02 0.03 -0.07 -0.01 -0.16 0.40 -0.04 0.00 -0.09 -0.03 0.24 0.34 0.38 0.02 0.07 0.01 -0.04 -0.00 -0.04 0.01 -0.02 -0.02 0.01 0.02 0.02 0.04 0.02 -0.03 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.01 0.01 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.02 -0.08 0.17 -0.02 -0.01 -0.02 0.02 0.03 -0.04 -0.01 0.05 -0.10 -0.01 0.05 -0.10 0.00 0.00 -0.00 -0.00 -0.01 0.01 0.00 0.01 -0.00 0.00 -0.00 -0.01 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.10 0.08 0.19 -0.07 -0.22 -0.06 0.05 -0.11 0.22 -0.36 -0.18 0.07 0.36 0.07 0.13 -0.10 0.29 0.30 0.13 -0.40 -0.09 0.03 -0.12 0.23 0.00 0.00 -0.01 0.01 -0.00 -0.01 -0.02 0.00 -0.01 -0.00 0.01 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.01 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -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 0.04 -0.01 0.04 0.00 0.01 -0.00 -0.01 0.01 0.02 -0.01 0.02 -0.01 -0.00 -0.00 0.01 0.00 -0.01 -0.01 -0.00 -0.01 -0.01 0.01 -0.01 0.00 0.01 -0.00 -0.00 -0.00 -0.01 0.00 0.03 -0.05 0.02 0.01 0.01 -0.00 -0.06 0.10 -0.03 0.01 0.01 0.01 0.01 0.01 0.02 -0.03 -0.03 -0.04 -0.09 -0.05 -0.11 0.02 0.01 0.03 -0.03 0.02 -0.03 -0.00 0.08 0.04 -0.00 -0.00 0.00 0.00 -0.00 -0.01 -0.02 -0.02 0.02 0.02 0.00 -0.03 0.00 0.01 0.00 -0.01 0.00 -0.01 0.00 0.01 -0.01 0.05 0.01 0.01 -0.04 0.02 0.01 -0.00 0.01 0.02 0.02 -0.01 -0.00 0.02 -0.02 -0.01 -0.00 0.00 0.01 0.01 -0.03 -0.00 0.11 -0.26 0.06 0.47 -0.16 0.41 0.07 -0.36 -0.05 0.22 -0.07 0.20 0.03 0.14 0.08 -0.11 -0.25 -0.02 0.09 -0.15 -0.21 -0.06 0.03 0.09 0.05 0.06 -0.02 0.03 0.02 -0.02 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.01 0.01 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.01 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.01 -0.01 0.00 0.01 -0.01 -0.00 0.01 -0.02 0.02 0.03 -0.02 -0.04 0.00 0.05 0.02 -0.05 -0.01 0.01 -0.00 0.00 -0.01 -0.00 0.02 0.00 0.00 -0.01 0.01 0.00 -0.01 0.00 0.01 0.01 -0.01 -0.00 0.01 -0.00 -0.00 -0.00 0.00 0.00 0.01 -0.01 0.00 -0.00 0.00 -0.00 -0.01 0.00 -0.00 -0.00 0.01 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.05 -0.12 -0.00 -0.08 0.12 0.16 -0.14 0.25 0.32 -0.18 -0.47 -0.04 0.47 0.23 -0.45 0.00 0.00 0.00 -0.01 -0.01 0.01 -0.01 -0.01 -0.01 -0.03 -0.01 -0.00 0.01 -0.01 0.01 -0.00 0.00 -0.02 -0.00 0.01 0.00 -0.00 -0.00 0.00 -0.04 0.12 0.07 -0.14 0.17 -0.04 0.04 -0.02 0.07 0.04 -0.08 -0.06 -0.02 -0.09 -0.02 0.16 -0.10 -0.00 -0.02 0.00 0.00 -0.07 -0.05 0.00 0.00 0.00 -0.00 0.09 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 0.00 0.00 0.01 0.01 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.02 -0.01 0.01 0.01 -0.00 -0.00 0.01 0.01 0.01 -0.00 -0.02 -0.01 -0.01 0.01 -0.01 -0.00 0.00 -0.15 0.32 -0.04 0.02 -0.15 -0.10 0.39 0.11 0.03 -0.22 0.15 0.03 -0.20 0.11 0.17 0.18 -0.18 -0.10 0.14 -0.03 -0.08 -0.04 0.12 0.03 0.19 -0.27 0.03 -0.00 0.02 -0.01 -0.03 -0.00 0.01 0.00 0.00 0.00 -0.03 0.01 -0.02 -0.00 -0.01 -0.01 0.08 0.19 0.01 -0.06 0.10 0.12 0.07 -0.11 -0.15 -0.03 -0.08 0.00 -0.06 -0.03 0.06 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.02 0.02 0.03 0.00 0.00 -0.00 0.00 -0.01 -0.01 0.02 -0.02 0.01 -0.01 0.00 -0.01 -0.00 0.01 0.01 0.00 0.01 0.00 -0.02 0.01 0.00 0.00 -0.00 -0.00 0.01 0.01 -0.00 0.01 -0.01 0.01 -0.01 -0.01 -0.00 -0.02 0.04 -0.01 0.00 0.00 0.00 0.00 0.00 0.01 -0.00 -0.02 -0.01 -0.02 -0.02 -0.03 -0.00 0.00 -0.00 -0.01 0.01 -0.00 -0.00 -0.03 -0.01 0.01 0.03 0.00 -0.01 0.03 0.03 0.03 -0.02 -0.05 -0.02 -0.04 0.01 -0.00 -0.00 0.00 0.02 -0.05 0.00 -0.00 0.03 0.01 -0.05 -0.01 -0.00 0.02 -0.02 -0.00 0.03 -0.01 -0.02 -0.02 0.02 0.02 -0.02 -0.00 0.01 0.01 -0.02 -0.00 -0.03 0.03 -0.00 0.04 -0.09 0.02 0.15 -0.05 0.13 0.05 -0.18 -0.01 -0.00 0.00 -0.00 0.02 0.06 0.05 0.18 0.46 0.03 -0.15 0.28 0.35 0.16 -0.26 -0.35 -0.16 -0.40 -0.02 -0.04 -0.02 0.04 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.01 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -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 -0.02 0.03 -0.01 0.00 0.00 0.00 -0.03 0.00 -0.03 -0.02 0.05 0.00 -0.00 0.01 -0.00 0.05 -0.04 0.04 -0.02 -0.02 -0.02 -0.00 0.01 0.01 0.00 0.01 0.00 -0.00 0.01 0.00 0.00 -0.01 -0.01 -0.00 -0.01 -0.00 -0.00 0.00 0.00 0.00 -0.01 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.03 -0.06 0.02 -0.07 0.02 -0.06 -0.14 0.43 -0.00 0.51 -0.22 0.44 -0.20 -0.33 -0.32 0.02 0.05 0.00 -0.02 0.03 0.04 0.02 -0.05 -0.06 -0.02 -0.07 -0.01 -0.01 -0.00 0.01 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.01 -0.00 0.00 -0.00 -0.00 -0.01 -0.15 -0.09 -0.00 -0.00 0.00 0.01 -0.01 -0.01 -0.01 0.00 0.00 0.01 -0.00 -0.01 -0.00 0.00 0.00 -0.00 0.00 0.00 0.01 -0.01 -0.00 -0.01 0.01 0.01 -0.00 -0.00 0.00 -0.02 0.02 -0.01 0.00 0.01 0.00 0.07 -0.10 0.03 -0.01 -0.00 -0.01 0.01 -0.01 0.01 0.00 0.01 0.01 -0.03 -0.01 -0.04 0.01 0.05 0.03 -0.00 -0.01 -0.00 0.01 0.30 0.17 0.01 0.07 0.03 -0.01 0.06 0.04 -0.04 -0.10 -0.00 0.04 -0.05 -0.08 -0.00 0.00 0.00 -0.02 0.06 -0.01 -0.01 -0.02 0.01 -0.02 -0.01 -0.00 0.00 -0.01 0.00 0.00 -0.00 -0.01 -0.00 0.00 0.00 -0.00 0.01 0.00 -0.00 0.01 0.00 0.01 0.00 0.01 -0.13 0.30 -0.06 -0.10 0.03 -0.09 -0.06 0.22 0.01 -0.07 0.08 -0.04 0.09 0.15 0.15 -0.07 -0.13 0.03 0.09 -0.06 -0.13 0.10 -0.37 -0.32 -0.10 -0.46 -0.12 -0.01 -0.01 0.01 -0.00 -0.00 -0.00 -0.00 -0.01 0.01 0.00 -0.01 -0.01 0.01 -0.00 0.00 0.06 -0.04 -0.01 0.02 -0.02 0.01 0.01 0.01 0.02 -0.00 -0.00 0.00 0.12 -0.13 -0.08 -0.08 0.01 0.04 0.05 -0.02 -0.09 -0.05 0.06 0.04 -0.03 0.04 0.05 0.09 -0.06 -0.02 -0.15 0.12 0.07 -0.01 -0.02 0.00 -0.01 0.00 0.00 -0.03 0.07 -0.00 0.01 -0.00 0.01 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.02 -0.01 -0.02 -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 -0.23 0.66 -0.16 -0.07 -0.26 0.10 -0.31 -0.08 -0.03 0.08 -0.12 -0.00 0.09 -0.08 -0.13 -0.04 0.04 0.03 -0.05 0.13 0.05 -0.05 0.11 0.03 0.08 0.08 0.03 0.15 -0.10 -0.11 0.02 -0.00 -0.00 -0.01 0.00 -0.00 0.04 -0.01 0.04 0.01 0.02 0.01 0.00 0.01 -0.00 -0.01 0.01 0.01 -0.00 0.02 0.02 0.00 0.02 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.01 -0.00 0.01 -0.00 0.00 0.00 -0.08 -0.08 -0.12 0.00 0.00 -0.00 0.02 -0.01 -0.00 -0.01 0.01 0.00 -0.01 0.00 0.00 -0.01 0.00 0.00 -0.01 0.00 0.00 0.01 -0.01 -0.00 0.01 -0.00 -0.01 0.01 -0.01 0.00 0.01 -0.00 0.01 -0.02 0.02 0.00 -0.11 0.17 -0.04 0.02 0.00 0.02 0.01 -0.01 0.01 -0.03 0.02 -0.02 0.16 0.07 0.19 -0.00 -0.11 -0.04 0.02 0.00 0.02 0.01 0.08 0.04 -0.00 0.02 0.01 -0.00 0.02 0.00 -0.01 -0.01 0.00 0.01 -0.00 -0.01 -0.00 -0.01 -0.00 -0.04 0.06 -0.05 -0.02 0.00 0.07 -0.02 -0.01 0.00 -0.00 -0.01 0.00 -0.00 -0.00 -0.01 0.01 0.01 0.01 0.01 0.01 -0.00 -0.01 0.03 0.02 0.01 0.00 0.00 0.25 -0.61 0.10 -0.16 0.06 -0.14 0.12 -0.48 -0.03 -0.08 -0.09 -0.11 -0.05 -0.14 -0.11 -0.02 -0.05 0.02 0.03 -0.01 -0.02 0.02 -0.07 -0.06 -0.02 -0.08 -0.02 -0.00 -0.01 -0.00 0.02 0.00 0.00 -0.02 0.06 -0.05 -0.03 0.06 0.04 -0.11 0.01 -0.02 0.05 -0.03 0.01 0.02 -0.01 -0.00 -0.01 -0.01 -0.01 -0.00 -0.00 0.00 -0.11 -0.07 -0.05 -0.02 -0.03 -0.00 0.10 -0.02 -0.04 0.04 0.03 0.01 0.05 0.02 0.03 0.05 0.12 -0.01 -0.13 0.08 0.05 -0.29 0.18 -0.03 -0.02 0.01 -0.01 0.43 -0.41 0.07 -0.00 0.02 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 -0.00 -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 -0.00 -0.00 0.00 0.00 0.12 -0.11 0.24 0.06 -0.12 -0.08 -0.06 -0.02 -0.01 0.13 -0.05 -0.02 0.09 -0.02 -0.06 -0.14 0.01 -0.05 -0.14 0.07 0.09 0.05 -0.11 -0.12 0.08 -0.25 0.05 0.22 -0.21 -0.13 -0.06 0.02 -0.05 0.01 -0.07 -0.01 0.02 -0.02 0.01 -0.00 -0.01 0.00 -0.01 -0.02 0.00 -0.01 -0.00 -0.01 0.00 -0.01 -0.01 0.01 0.01 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.01 -0.01 -0.01 0.01 0.01 -0.02 0.00 -0.00 -0.06 0.03 -0.02 -0.02 0.01 0.01 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.12 -0.09 -0.04 -0.04 0.04 0.00 -0.08 0.04 0.05 -0.04 0.03 0.01 -0.04 0.01 -0.00 0.06 -0.00 -0.00 0.17 -0.10 -0.07 -0.06 0.02 -0.00 0.04 -0.04 0.02 0.08 -0.06 0.01 -0.04 -0.01 -0.05 -0.00 0.00 -0.00 0.02 -0.00 0.02 0.00 0.02 0.01 0.00 0.04 0.02 0.02 -0.02 0.01 -0.00 -0.01 -0.01 -0.00 -0.00 -0.01 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.21 0.17 -0.27 -0.17 0.03 0.54 -0.14 -0.05 0.03 0.01 -0.10 0.00 0.03 -0.03 -0.06 -0.00 0.06 0.09 -0.01 0.05 -0.01 -0.06 0.15 0.12 0.07 -0.13 0.01 -0.31 0.31 0.20 0.16 -0.05 0.13 -0.00 0.04 0.01 -0.07 0.02 -0.07 -0.02 -0.04 -0.03 -0.00 0.00 -0.00 -0.01 0.01 0.01 -0.00 0.01 0.00 0.00 0.01 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.01 -0.00 -0.02 0.01 -0.01 0.00 -0.01 -0.02 -0.02 0.01 0.00 0.00 -0.05 0.01 0.01 0.02 -0.02 0.00 0.03 -0.02 -0.02 0.01 -0.00 0.00 0.02 0.00 0.00 -0.01 0.00 -0.00 -0.09 0.05 0.04 0.01 -0.00 0.00 0.06 -0.11 0.07 -0.01 0.01 -0.00 -0.10 -0.05 -0.13 -0.03 0.01 -0.02 0.05 -0.01 0.05 -0.01 0.07 0.02 0.00 0.15 0.06 0.05 -0.05 0.04 -0.00 -0.03 -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 0.06 0.01 0.07 0.07 -0.03 -0.24 0.02 0.01 -0.02 0.00 0.03 0.00 0.02 -0.00 0.00 -0.02 -0.01 -0.03 -0.01 -0.02 0.01 0.02 -0.06 -0.04 -0.02 0.08 -0.00 -0.04 0.50 -0.17 0.43 -0.15 0.36 -0.02 0.11 0.01 -0.25 0.07 -0.23 -0.08 -0.16 -0.13 -0.00 -0.00 0.00 -0.00 0.01 0.01 -0.00 0.00 -0.00 -0.00 0.01 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.01 -0.00 0.01 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.17 0.09 -0.17 -0.05 -0.06 0.02 -0.04 0.02 0.07 -0.06 0.07 0.12 -0.07 -0.14 0.01 0.06 0.03 -0.06 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.01 -0.00 0.00 -0.00 0.00 -0.01 0.00 -0.00 0.00 -0.01 0.00 0.00 -0.00 0.01 0.00 0.01 0.01 -0.17 -0.39 0.01 -0.17 0.23 0.33 0.15 -0.33 -0.36 0.15 0.46 0.06 0.04 0.02 -0.04 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.01 -0.00 0.00 -0.00 -0.00 -0.01 0.00 -0.00 0.00 0.00 0.00 -0.00 0.23 0.06 -0.01 -0.05 -0.02 0.03 -0.03 0.01 -0.02 -0.04 -0.02 -0.00 -0.06 -0.02 0.00 -0.02 0.02 0.01 -0.02 0.02 0.02 0.01 0.03 -0.00 -0.01 -0.00 0.01 0.01 -0.02 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.01 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.01 -0.57 0.07 -0.05 -0.22 -0.44 -0.16 -0.07 -0.03 -0.20 0.02 0.06 -0.23 0.04 0.02 0.18 -0.01 0.10 0.16 0.12 -0.09 -0.08 0.17 0.08 0.01 -0.29 0.02 0.07 -0.00 -0.07 0.01 -0.00 0.01 -0.00 0.00 -0.00 -0.01 0.00 -0.01 -0.00 -0.00 -0.00 -0.00 -0.01 -0.00 -0.00 0.00 0.01 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.01 -0.00 -0.00 -0.01 0.01 -0.02 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.05 0.05 0.02 0.05 -0.07 0.02 -0.04 0.01 0.05 -0.03 -0.02 0.01 -0.02 -0.01 -0.01 0.04 -0.01 0.00 0.01 -0.01 0.01 -0.09 -0.03 -0.00 0.01 0.00 -0.01 0.03 -0.02 0.00 -0.00 0.01 0.01 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.01 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.06 0.22 -0.15 0.02 -0.02 -0.42 0.05 0.06 -0.05 -0.03 0.06 -0.00 0.04 -0.04 -0.01 0.06 0.01 0.04 0.07 -0.01 -0.04 -0.02 0.02 0.03 -0.04 0.81 -0.08 -0.11 0.01 0.11 -0.03 0.01 -0.02 0.01 -0.02 0.00 0.02 -0.01 0.02 0.01 0.01 0.01 0.01 0.01 0.00 0.01 -0.01 -0.01 -0.00 0.00 0.01 -0.00 -0.01 -0.00 -0.01 -0.00 0.01 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.01 -0.00 0.01 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 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 0.16 0.03 0.04 -0.12 -0.12 0.02 -0.06 -0.05 0.02 0.08 0.02 -0.11 -0.05 0.10 -0.00 0.02 -0.01 0.00 0.00 -0.01 0.00 0.00 -0.00 0.00 0.00 -0.00 0.01 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.03 -0.00 -0.01 -0.00 0.01 0.01 -0.00 0.01 -0.00 0.02 0.00 -0.00 0.00 -0.00 -0.00 -0.01 -0.01 -0.22 -0.50 -0.02 -0.19 0.30 0.43 0.07 -0.17 -0.19 0.08 0.24 0.04 0.26 0.13 -0.25 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.01 -0.00 0.00 -0.00 0.00 -0.00 0.02 0.00 0.01 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.01 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.01 -0.08 0.04 -0.00 0.00 -0.00 -0.01 0.03 -0.02 -0.01 0.00 -0.02 0.05 -0.01 0.05 -0.03 0.10 0.01 0.01 -0.03 0.00 0.01 -0.01 0.01 -0.05 -0.06 -0.07 0.00 -0.01 -0.00 0.00 -0.00 0.00 0.00 -0.01 -0.01 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.01 -0.01 0.00 -0.00 -0.02 0.00 -0.00 0.01 0.01 -0.01 -0.00 -0.01 0.00 0.00 -0.01 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.02 0.00 0.03 0.41 -0.26 -0.36 0.15 -0.32 0.14 -0.40 -0.00 0.26 -0.10 0.23 0.14 0.27 0.25 0.00 0.01 0.00 -0.01 0.01 0.02 -0.00 0.01 0.01 0.00 0.01 0.00 0.01 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.03 -0.03 0.00 -0.00 -0.01 0.00 0.00 0.01 -0.01 -0.01 0.00 -0.02 -0.02 -0.01 0.00 -0.00 -0.00 0.01 -0.00 0.02 0.02 0.01 0.00 0.01 0.01 0.00 -0.01 0.00 -0.00 -0.05 0.03 0.03 0.02 0.02 0.00 0.07 0.04 -0.07 -0.01 0.00 -0.00 -0.01 -0.03 -0.01 0.02 0.01 0.03 0.03 -0.02 0.03 -0.02 0.05 -0.00 -0.02 0.03 -0.01 0.03 -0.01 0.02 -0.02 -0.03 -0.04 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.04 -0.01 0.04 -0.03 -0.20 -0.04 -0.03 -0.00 -0.02 -0.01 0.01 -0.04 0.01 -0.01 -0.02 0.00 -0.01 -0.01 -0.01 0.01 0.01 -0.02 -0.01 0.01 -0.20 0.02 -0.55 -0.17 0.71 -0.09 0.03 -0.08 0.03 -0.13 0.01 0.02 -0.01 0.02 0.03 0.06 0.06 0.00 0.01 -0.00 -0.00 0.00 0.01 -0.00 0.01 0.00 0.00 0.01 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.01 -0.03 0.00 0.00 -0.02 -0.02 -0.00 -0.03 0.00 0.00 -0.00 -0.02 -0.04 -0.01 0.02 -0.01 -0.01 0.00 0.01 0.06 0.02 0.01 0.01 0.01 0.01 0.00 -0.02 0.01 -0.00 -0.04 0.02 0.03 0.04 0.03 0.00 0.07 -0.11 0.02 -0.01 -0.00 0.00 -0.01 0.13 0.03 -0.01 0.01 -0.01 -0.09 0.07 -0.07 0.04 -0.10 0.01 0.09 -0.14 0.05 -0.09 0.01 -0.09 0.05 0.08 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 -0.04 0.17 -0.09 0.05 -0.04 -0.37 -0.06 -0.04 -0.00 -0.01 -0.03 0.02 -0.05 0.01 -0.03 -0.05 0.02 -0.01 -0.02 -0.03 0.02 0.01 -0.01 -0.01 0.01 -0.32 0.03 -0.37 0.59 0.11 0.08 0.01 0.09 -0.02 0.07 0.01 0.14 -0.08 0.11 -0.00 -0.01 -0.01 0.00 -0.01 0.00 0.01 -0.01 -0.01 0.00 -0.01 -0.01 -0.00 -0.01 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.01 -0.02 0.02 -0.01 0.04 -0.01 -0.00 -0.01 -0.00 -0.00 0.00 0.02 0.05 0.02 -0.04 0.04 0.01 0.04 -0.03 -0.15 -0.01 -0.02 -0.01 -0.01 -0.01 0.01 0.02 -0.01 0.01 -0.04 0.04 0.02 -0.05 -0.06 0.00 0.05 -0.03 -0.01 0.00 0.01 0.00 -0.01 0.03 0.01 -0.00 0.00 0.01 -0.02 0.02 -0.01 0.01 -0.01 0.00 0.03 -0.04 0.01 -0.02 0.00 -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 0.12 -0.42 0.26 -0.06 0.02 0.57 0.02 0.03 -0.03 -0.05 0.07 0.00 0.04 0.00 0.04 0.07 -0.05 -0.02 0.04 0.04 -0.01 -0.01 -0.01 -0.02 -0.01 0.40 -0.04 -0.28 0.18 0.22 0.00 0.01 0.01 0.01 -0.02 0.01 0.06 -0.03 0.05 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 -0.04 -0.00 0.01 0.01 0.02 -0.01 0.01 -0.00 0.01 0.08 0.02 0.00 0.06 -0.09 -0.06 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.01 -0.02 0.00 -0.00 0.00 0.00 -0.00 0.01 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.03 -0.03 0.02 0.02 0.01 0.00 -0.21 -0.11 -0.09 -0.29 -0.10 0.15 -0.25 -0.00 -0.15 -0.25 0.22 0.36 -0.31 0.39 0.03 -0.01 0.39 0.22 -0.01 0.12 -0.02 0.01 -0.01 -0.01 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -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 0.02 0.06 0.02 0.00 -0.08 0.03 -0.01 -0.00 -0.05 -0.09 -0.05 -0.02 0.02 -0.07 -0.04 -0.02 0.01 -0.01 -0.01 0.01 0.00 0.02 0.04 -0.00 0.01 -0.00 -0.00 0.00 -0.01 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.05 0.22 -0.04 -0.01 0.03 0.07 0.25 0.11 0.09 0.36 0.30 -0.21 0.33 0.07 0.33 -0.09 0.14 0.29 -0.10 0.31 -0.03 -0.02 0.24 0.10 -0.00 -0.21 0.04 -0.03 0.01 0.03 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.01 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 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 -0.02 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.11 -0.05 -0.01 0.15 -0.04 0.02 0.01 0.09 -0.09 0.02 0.01 0.01 -0.01 -0.00 0.02 -0.01 0.02 -0.01 0.01 0.01 -0.02 -0.06 0.00 0.00 0.00 -0.00 -0.01 0.02 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.07 -0.50 0.05 0.02 -0.14 -0.26 0.32 0.16 0.18 0.39 -0.18 -0.16 0.31 -0.11 -0.06 -0.13 0.08 0.09 -0.15 0.11 0.04 -0.01 0.15 0.09 0.01 0.14 -0.04 -0.01 -0.00 0.01 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.03 -0.02 0.02 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.01 0.00 0.00 0.00 -0.02 -0.03 -0.02 0.00 0.00 -0.00 0.14 0.08 0.17 -0.00 -0.00 -0.00 -0.01 -0.11 -0.05 -0.08 0.08 -0.05 -0.12 0.13 -0.08 0.00 -0.10 -0.03 0.08 0.05 0.10 -0.01 -0.00 -0.00 0.01 0.01 -0.00 -0.00 0.01 0.01 -0.00 0.00 0.01 0.00 -0.00 -0.01 -0.00 -0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.01 0.02 -0.01 0.03 0.01 -0.05 0.00 -0.03 -0.00 -0.02 -0.02 0.01 0.02 0.05 0.02 -0.02 -0.00 0.01 -0.05 -0.00 -0.00 -0.00 -0.16 0.32 -0.07 -0.05 -0.12 -0.10 0.12 -0.55 -0.07 -0.07 -0.09 -0.10 -0.19 -0.41 -0.34 -0.01 -0.03 -0.01 0.01 -0.02 -0.03 0.01 -0.03 -0.03 -0.00 -0.02 -0.01 0.01 0.00 -0.01 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.01 -0.01 -0.02 -0.00 0.01 -0.00 0.00 0.00 0.01 0.00 -0.02 0.01 0.01 0.03 -0.03 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.01 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 0.00 0.00 -0.01 -0.01 0.01 0.00 -0.01 -0.01 0.01 0.01 0.00 0.00 0.02 0.01 0.00 -0.02 -0.01 -0.01 -0.01 0.01 -0.00 -0.04 -0.00 0.00 -0.02 -0.04 -0.14 0.08 -0.28 -0.11 0.33 0.02 0.20 -0.02 0.08 0.27 -0.11 -0.16 -0.47 -0.10 0.17 0.06 -0.15 0.55 0.00 -0.02 0.00 -0.00 0.01 -0.01 -0.00 -0.00 -0.01 0.01 -0.02 -0.00 0.00 -0.00 -0.00 -0.01 -0.01 -0.01 0.02 0.02 -0.01 0.02 -0.00 -0.02 0.03 -0.02 -0.04 0.03 0.05 -0.01 0.06 0.03 -0.06 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.01 0.00 -0.01 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.01 -0.00 -0.00 -0.01 0.01 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.01 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.10 -0.04 0.10 0.03 -0.07 -0.08 0.04 0.10 0.01 0.02 0.12 0.05 0.01 -0.12 -0.07 -0.10 -0.05 0.10 0.00 0.01 -0.00 -0.00 0.00 0.01 0.03 -0.02 0.06 0.02 -0.08 -0.00 -0.04 0.00 -0.02 -0.09 0.03 0.04 0.14 0.02 -0.05 -0.02 0.05 -0.17 -0.00 0.01 -0.00 0.00 -0.01 0.00 -0.00 0.00 0.00 -0.00 0.02 0.00 0.00 0.00 0.00 0.01 0.01 0.01 0.13 0.17 -0.07 0.12 -0.02 -0.17 0.18 -0.14 -0.30 0.19 0.34 -0.05 0.44 0.22 -0.42 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.03 0.02 -0.01 0.00 -0.01 0.00 0.00 -0.00 -0.01 -0.01 0.02 0.01 -0.04 -0.00 -0.03 -0.00 -0.00 -0.00 -0.01 0.00 0.00 0.00 0.01 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.07 0.00 0.01 0.02 0.03 0.20 0.08 0.10 0.04 -0.31 0.02 -0.09 -0.10 -0.23 0.54 0.07 0.29 0.00 0.38 -0.07 0.05 -0.45 0.16 0.00 -0.04 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 0.01 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 -0.03 -0.07 -0.00 0.00 0.04 -0.01 0.01 0.01 0.03 0.02 -0.02 0.02 -0.03 -0.00 0.02 0.00 -0.00 0.00 0.01 -0.01 -0.00 0.00 -0.01 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.01 -0.06 -0.00 0.01 -0.01 -0.02 -0.21 0.11 -0.41 -0.19 0.41 0.05 0.31 -0.05 0.07 0.07 0.14 0.28 0.33 0.27 -0.15 -0.01 -0.16 -0.33 0.00 -0.02 -0.00 0.01 -0.00 -0.01 0.00 -0.00 -0.00 0.00 -0.01 0.00 0.01 -0.00 0.01 0.00 0.00 0.00 -0.00 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 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.03 -0.02 -0.00 -0.00 0.00 0.01 0.02 0.02 -0.00 -0.01 0.00 -0.00 -0.00 -0.01 -0.01 0.00 0.02 0.01 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.01 0.01 -0.00 -0.01 0.01 -0.01 -0.00 -0.00 0.00 0.03 -0.04 0.02 0.00 -0.00 0.00 -0.04 0.00 -0.04 0.01 0.02 0.02 0.01 0.06 0.03 -0.05 0.02 -0.05 0.01 -0.05 -0.00 0.00 0.11 0.05 -0.06 -0.09 0.03 0.06 -0.03 -0.09 0.06 -0.04 -0.09 -0.06 -0.10 0.02 0.00 0.07 0.04 -0.01 0.02 -0.00 -0.00 0.01 0.01 0.14 0.19 -0.14 -0.09 -0.09 0.05 0.09 -0.15 -0.22 -0.08 -0.01 -0.05 -0.00 -0.06 0.01 -0.01 0.08 -0.01 0.00 -0.06 0.02 0.00 -0.01 -0.00 0.16 -0.08 0.13 0.06 -0.12 0.02 0.17 -0.07 0.15 0.07 0.03 0.08 0.09 0.33 0.07 -0.09 0.25 0.26 -0.11 0.27 0.28 0.11 0.36 0.07 -0.01 0.08 0.05 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.01 -0.00 0.00 0.00 0.00 -0.02 -0.04 -0.03 0.01 0.02 -0.01 0.00 0.00 0.02 0.03 -0.00 -0.04 -0.01 0.01 -0.00 0.01 0.00 0.00 0.00 -0.00 -0.00 -0.01 -0.02 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.01 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.01 -0.00 -0.00 -0.00 -0.01 0.01 -0.00 0.01 -0.00 0.01 0.00 0.00 0.04 0.02 -0.02 -0.03 0.01 0.02 -0.01 -0.03 0.02 -0.02 -0.03 -0.02 -0.04 0.01 0.00 0.03 0.01 0.01 -0.04 -0.00 0.01 -0.01 -0.03 -0.28 -0.42 0.34 0.21 0.16 -0.11 -0.21 0.33 0.46 0.16 0.03 0.08 -0.00 0.12 -0.01 0.02 -0.16 0.03 -0.00 0.13 -0.03 0.00 0.01 -0.01 -0.00 0.00 -0.01 -0.01 0.01 -0.01 -0.02 0.01 -0.02 -0.01 -0.01 -0.01 0.03 0.11 0.03 -0.03 0.08 0.09 -0.04 0.09 0.10 0.04 0.13 0.02 -0.00 0.03 0.02 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.01 0.01 0.00 0.00 -0.00 0.01 0.01 0.01 -0.00 -0.01 0.00 -0.00 -0.00 -0.01 -0.01 -0.00 0.01 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.01 -0.00 0.02 -0.03 0.01 0.00 -0.00 0.00 -0.05 0.11 -0.01 -0.00 0.00 -0.00 0.07 -0.01 0.07 -0.04 -0.07 -0.06 -0.03 -0.12 -0.07 0.13 -0.05 0.12 -0.04 0.11 0.00 0.01 0.05 0.03 -0.03 -0.03 0.02 0.02 -0.01 -0.04 0.03 -0.03 -0.05 -0.03 -0.05 0.01 0.00 0.04 0.02 -0.00 0.01 0.00 -0.00 0.00 0.01 0.09 0.15 -0.13 -0.08 -0.03 0.04 0.08 -0.11 -0.15 -0.05 -0.01 -0.02 0.00 -0.03 0.00 -0.01 0.05 -0.01 0.00 -0.04 0.01 -0.03 0.06 0.00 -0.33 0.15 -0.28 -0.15 0.24 -0.07 -0.39 0.16 -0.34 -0.15 -0.06 -0.18 0.04 0.14 0.04 -0.03 0.11 0.11 -0.05 0.13 0.14 0.05 0.17 0.03 -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 -0.01 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.01 0.00 -0.00 -0.00 -0.01 -0.02 -0.01 -0.00 0.00 0.00 0.09 0.11 0.13 0.00 -0.00 -0.00 -0.11 -0.01 -0.11 -0.04 -0.08 -0.06 0.04 0.05 0.06 0.12 0.02 0.13 -0.10 -0.10 -0.14 0.00 0.12 0.06 -0.05 -0.23 -0.07 0.04 -0.19 -0.16 -0.04 0.19 0.16 0.05 0.24 0.07 -0.00 -0.11 -0.06 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 -0.06 0.12 -0.03 0.15 -0.12 0.11 -0.09 0.07 -0.07 -0.14 0.13 -0.10 0.06 0.19 0.13 0.15 0.25 -0.03 -0.14 0.11 0.24 0.14 -0.12 -0.24 -0.14 -0.26 0.03 0.00 -0.13 -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 0.01 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 -0.01 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.01 0.00 0.00 -0.01 -0.00 0.00 -0.01 0.00 0.00 0.01 0.00 -0.24 -0.12 0.23 0.15 0.15 -0.10 0.14 -0.01 -0.19 -0.14 0.01 0.18 -0.14 -0.15 0.10 0.25 0.12 -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 -0.01 0.00 0.00 0.00 0.00 0.01 -0.01 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.01 0.00 -0.24 -0.15 0.01 0.26 0.14 -0.02 -0.26 -0.12 -0.02 0.23 0.15 -0.30 -0.15 0.29 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.01 0.01 0.00 0.00 -0.00 0.01 -0.01 0.01 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -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 0.04 0.00 -0.00 -0.00 -0.00 -0.03 -0.27 -0.13 -0.00 0.00 0.00 -0.01 0.13 0.04 -0.05 0.31 0.06 0.03 -0.28 -0.07 -0.02 -0.13 -0.06 0.08 0.23 0.17 0.02 0.10 0.05 -0.04 -0.14 -0.03 0.02 -0.11 -0.09 -0.02 0.10 0.07 0.03 0.13 0.04 -0.01 -0.06 -0.02 -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 0.09 -0.17 0.02 0.05 0.12 0.10 0.18 -0.37 0.06 0.01 -0.16 -0.05 -0.17 -0.18 -0.25 0.09 0.17 -0.01 -0.08 0.07 0.15 0.07 -0.05 -0.11 -0.07 -0.13 0.02 0.01 -0.06 -0.04 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.01 0.01 -0.02 0.01 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.01 0.00 0.00 -0.00 0.02 -0.01 0.01 -0.00 -0.00 -0.00 -0.14 0.08 -0.11 0.00 0.00 -0.00 0.24 -0.12 0.20 0.12 -0.18 0.06 -0.16 0.15 -0.11 -0.20 0.10 -0.17 0.12 -0.01 0.12 -0.00 0.08 0.04 -0.02 -0.12 -0.03 0.02 -0.09 -0.08 -0.02 0.09 0.07 0.02 0.10 0.03 0.00 -0.05 -0.03 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.01 -0.01 -0.01 0.01 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.01 -0.03 0.03 -0.37 0.11 -0.34 -0.02 0.26 0.07 0.22 -0.07 0.20 0.02 -0.20 -0.05 0.07 0.14 -0.02 -0.07 0.07 0.13 0.06 -0.05 -0.10 -0.06 -0.11 0.02 -0.00 -0.06 -0.03 0.01 0.01 0.00 -0.00 0.01 -0.01 -0.00 0.01 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.01 0.01 0.01 0.02 -0.11 0.01 -0.01 -0.01 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.09 0.54 -0.04 -0.00 0.01 -0.00 -0.13 -0.50 0.03 0.00 0.00 -0.00 -0.02 0.05 -0.01 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.01 0.22 -0.02 0.02 0.03 -0.06 0.01 0.03 -0.03 -0.02 0.01 0.01 0.02 -0.02 -0.02 -0.00 0.00 -0.00 0.01 -0.01 -0.00 -0.00 0.00 -0.00 0.24 -0.54 0.10 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.05 -0.16 0.12 -0.45 0.00 0.00 0.00 0.00 0.00 -0.00 -0.01 0.02 -0.03 -0.01 -0.01 -0.01 0.03 -0.01 -0.10 0.00 -0.00 0.00 0.01 -0.00 0.01 -0.00 0.01 0.00 0.20 -0.14 0.74 0.01 -0.01 0.00 -0.01 -0.00 0.03 -0.01 0.01 -0.00 -0.01 -0.01 -0.02 0.00 -0.00 -0.00 0.01 0.00 0.01 0.01 0.00 0.01 -0.00 -0.01 -0.01 -0.01 -0.00 -0.01 0.01 0.01 0.01 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.04 -0.03 0.08 -0.01 0.00 0.32 -0.04 -0.02 -0.01 0.02 0.03 -0.01 -0.01 0.01 0.02 0.01 -0.01 0.00 -0.04 0.05 0.01 0.01 -0.00 0.01 -0.00 -0.01 -0.00 0.10 -0.04 -0.04 -0.01 0.01 -0.00 0.01 0.01 0.01 0.01 -0.01 0.01 -0.00 -0.01 -0.01 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 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 -0.31 -0.43 0.26 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.05 -0.07 0.03 -0.00 -0.00 0.00 0.00 -0.01 0.00 0.42 0.58 -0.35 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -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 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.02 -0.04 -0.03 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.01 -0.00 -0.00 0.01 -0.00 0.00 -0.01 0.03 0.02 -0.03 -0.01 -0.08 -0.02 -0.07 0.04 0.10 0.49 -0.30 0.22 0.06 0.59 -0.49 -0.09 0.02 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.04 -0.04 -0.01 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -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 0.12 -0.20 -0.13 0.24 0.04 0.62 0.13 0.58 -0.34 0.01 0.06 -0.03 0.03 0.01 0.07 -0.07 -0.01 0.00 -0.01 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.02 -0.01 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.01 0.02 -0.02 0.04 -0.08 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.01 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.01 -0.06 -0.02 -0.17 0.03 0.15 -0.08 -0.12 -0.57 0.32 0.24 0.08 0.64 0.10 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 -0.01 0.04 -0.08 -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 -0.01 -0.00 0.00 0.00 -0.00 0.00 0.01 -0.01 -0.03 0.25 0.06 0.64 -0.14 -0.58 0.32 -0.03 -0.14 0.08 0.06 0.02 0.18 0.05 0.01 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.08 -0.04 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.02 0.00 0.01 -0.02 0.01 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.01 0.01 0.02 -0.01 0.06 0.36 -0.22 0.08 0.02 0.26 0.84 0.13 -0.03 -0.00 -0.00 -0.00 0.01 0.00 0.01 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.06 -0.03 -0.05 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.01 -0.00 0.00 -0.00 -0.00 0.00 0.67 0.36 0.64 0.00 -0.00 -0.00 -0.01 -0.00 -0.01 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.07 -0.00 0.04 0.01 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.01 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.86 0.03 -0.49 -0.09 0.04 -0.01 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.01 0.00 0.00 0.00 -0.00 0.00 0.00 0.01 0.03 0.00 -0.00 -0.05 -0.01 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -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 -0.01 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -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 0.01 0.00 -0.00 0.01 -0.00 0.00 -0.45 0.70 0.44 0.07 0.00 0.17 0.04 0.13 -0.09 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.07 0.01 0.00 0.00 0.00 0.00 0.02 0.18 0.07 -0.00 -0.00 -0.00 0.00 0.01 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.01 -0.00 -0.01 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.01 0.00 0.01 0.01 0.01 -0.00 0.03 0.03 -0.01 -0.03 0.01 0.04 -0.00 -0.05 -0.03 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.10 -0.03 -0.14 -0.07 -0.08 0.04 -0.30 -0.37 0.17 0.31 -0.08 -0.43 0.01 0.56 0.30 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.03 0.01 0.03 -0.00 -0.00 -0.00 -0.00 -0.06 -0.02 -0.02 0.02 -0.01 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.01 -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 -0.00 -0.00 0.00 0.01 0.00 -0.36 -0.12 -0.40 0.04 0.69 0.28 0.22 -0.26 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 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.02 0.00 0.02 -0.01 -0.01 0.01 0.03 0.04 -0.02 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 0.01 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.18 -0.05 -0.25 0.09 0.12 -0.05 -0.39 -0.48 0.22 -0.38 0.09 0.53 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 -0.01 -0.00 0.00 -0.08 0.03 -0.01 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.08 0.00 -0.05 0.91 -0.37 0.15 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 0.03 0.00 -0.00 -0.01 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 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 -0.01 0.01 -0.01 -0.01 0.01 0.02 -0.00 -0.03 -0.00 -0.05 -0.03 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 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 0.02 0.00 0.01 0.00 0.01 -0.02 0.01 -0.30 0.08 0.43 0.12 0.14 -0.06 0.12 0.14 -0.07 -0.24 0.06 0.34 0.01 0.60 0.32 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.04 -0.01 -0.05 -0.00 -0.00 -0.00 0.00 -0.02 -0.00 -0.03 0.04 -0.02 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 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 0.01 0.00 0.00 -0.00 0.02 0.01 0.48 0.15 0.52 0.01 0.20 0.08 0.38 -0.46 0.24 0.01 -0.00 -0.02 -0.00 -0.00 0.00 -0.00 -0.01 0.00 0.01 -0.00 -0.01 -0.00 -0.02 -0.01 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.04 -0.01 -0.06 0.01 0.01 -0.00 0.03 0.04 -0.01 -0.01 -0.00 0.01 -0.00 0.03 0.02 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.02 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.01 -0.00 -0.01 -0.00 -0.01 -0.01 0.01 -0.01 0.01 -0.43 0.12 0.62 -0.09 -0.11 0.05 -0.30 -0.37 0.17 0.07 -0.02 -0.10 -0.00 -0.29 -0.16 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.01 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.02 -0.01 -0.03 0.00 0.00 0.00 -0.00 -0.05 -0.02 0.04 -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 0.07 0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.27 0.08 0.29 0.03 0.58 0.23 -0.39 0.47 -0.25 -0.01 0.00 0.01 -0.00 -0.00 0.00 -0.01 -0.01 0.00 0.00 -0.00 -0.00 -0.00 -0.01 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.08 -0.01 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -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 0.03 -0.05 -0.03 -0.00 -0.00 -0.01 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.98 0.10 0.05 -0.00 0.00 0.00 -0.00 -0.04 -0.02 -0.02 -0.01 -0.02 -0.00 -0.04 -0.01 0.03 -0.03 0.02 0.01 -0.00 -0.01 0.02 0.03 -0.01 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.05 -0.06 0.03 0.00 0.00 -0.00 -0.01 0.01 0.02 0.00 0.01 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.03 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 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 0.56 0.70 -0.30 -0.04 -0.05 0.02 0.16 -0.04 -0.22 -0.00 -0.10 -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 -0.01 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 -0.08 -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 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.10 -0.15 -0.09 -0.01 0.00 -0.02 -0.01 -0.02 0.01 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.03 0.00 0.00 0.00 0.00 0.00 0.04 0.90 0.36 -0.00 -0.00 -0.01 -0.00 -0.01 -0.01 -0.01 0.01 -0.01 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 17 9 9 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 6 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 298.150 1.00000 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 50 17 9 9 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 6 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 34.96885 18.99840 18.99840 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 12.00000 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 449.10056 0.99699 -0.07742 0.00367 0.07562 0.98206 0.17277 -0.01698 -0.17197 0.98496 asymmetric 1 0.00729 0.00619 0.00556 0.15190 0.12888 0.11591 976183.3 21.91 30.16 40.93 54.97 59.11 61.47 62.00 74.56 86.59 90.67 98.01 141.56 147.94 186.70 198.59 251.23 255.27 291.61 309.94 312.83 326.58 339.85 361.41 388.82 398.98 411.22 438.43 464.35 526.96 530.65 561.18 576.04 588.64 610.42 625.01 667.48 684.59 687.49 701.21 705.25 769.28 784.61 834.00 851.46 883.98 889.60 902.95 905.72 928.37 937.16 965.20 1016.85 1019.83 1029.56 1050.66 1099.45 1141.53 1153.29 1162.02 1185.75 1218.16 1223.98 1255.81 1299.97 1307.76 1318.13 1341.72 1345.52 1356.85 1386.62 1402.91 1417.20 1425.60 1431.89 1450.38 1453.50 1459.59 1460.78 1466.71 1473.49 1496.06 1523.75 1529.60 1562.85 1572.40 1590.99 1593.30 1640.97 1684.61 1693.03 1693.66 1698.37 1707.81 1756.98 1760.12 1800.04 1811.06 1843.10 1862.07 1895.56 1914.56 1925.15 1928.93 1941.72 1953.34 1965.26 1981.68 2035.80 2049.36 2067.81 2118.32 2121.91 2124.13 2134.16 2153.84 2175.88 2178.65 2185.43 2334.09 2344.51 2356.40 2358.58 2446.73 2472.10 3382.58 4346.22 4370.47 4435.55 4444.67 4455.30 4456.77 4520.30 4552.80 4558.29 4570.10 4571.15 4573.39 4585.90 4586.63 4597.94 4600.19 4600.41 4612.39 4631.63 0.371809 0.400637 0.401581 0.308510 -1928.129678 -1928.100850 -1928.099906 -1928.192977 251.404 108.163 195.885 0.000 0.000 0.000 0.889 2.981 44.195 0.889 2.981 36.203 249.626 102.201 115.486 1 0.593 1.986 7.176 2 0.593 1.986 6.541 3 0.593 1.984 5.935 4 0.594 1.982 5.350 5 0.594 1.981 5.206 6 0.595 1.980 5.129 7 0.595 1.980 5.112 8 0.596 1.977 4.747 9 0.597 1.973 4.451 10 0.597 1.972 4.360 11 0.598 1.969 4.207 12 0.604 1.950 3.486 13 0.605 1.947 3.400 14 0.612 1.924 2.950 15 0.614 1.915 2.831 16 0.627 1.874 2.385 17 0.628 1.870 2.355 18 0.639 1.836 2.109 19 0.645 1.818 1.997 20 0.646 1.815 1.980 21 0.651 1.800 1.903 22 0.655 1.785 1.831 23 0.663 1.761 1.722 24 0.674 1.728 1.595 25 0.678 1.715 1.550 26 0.684 1.700 1.499 27 0.696 1.665 1.391 28 0.708 1.630 1.296 29 0.739 1.542 1.095 30 0.741 1.536 1.085 31 0.758 1.491 1.000 32 0.766 1.469 0.961 33 0.773 1.450 0.930 34 0.786 1.417 0.878 35 0.795 1.395 0.844 36 0.821 1.330 0.755 37 0.832 1.304 0.721 38 0.834 1.299 0.716 39 0.843 1.278 0.690 40 0.846 1.272 0.683 41 0.890 1.173 0.577 42 0.900 1.150 0.554 43 0.936 1.075 0.486 44 0.949 1.049 0.464 45 0.974 1.001 0.426 46 0.978 0.993 0.419 0.130391e+30 29.115249 67.040338 0.191309e+14 13.281735 30.582325 0.100000e+01 0.000000 0.000000 0.374084e+09 8.572969 19.739991 0.182198e+08 7.260545 16.718022 ./ancestor::cml:module[@dictRef='cc:finalization']/cml:molecule[@id='mol9999'] 0.8026 -1.4591 -4.9731 5.2445 -189.5996 -186.1706 -202.1603 -4.7819 -2.3517 35.2794 3.0439 6.4729 -9.5168 -4.7819 -2.3517 35.2794 57.5450 46.3928 -111.5217 -10.2941 -25.6017 -25.8602 26.2407 90.4404 -47.3992 5.3761 -6357.4802 -4647.2850 -4185.4646 128.9066 -187.9695 -64.2767 216.1631 66.3741 327.6891 -1781.5508 -1922.0928 -1585.9987 105.0969 21.4277 16.7055 (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A) (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(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 -1928.501487 1.243E-9 7.222E-6 0.3718086 0.4006371 -1928.1008499 -1928.0999057 -1928.1929769 -0.3873251,-0.0236809,0.411006,-17.1144164,21.1512549,1.55299 C01 [X(C23H19Cl1F3N1O3)] -2.0330783 0.1998018 -0.2899537 -0.0409162 0.032607 0.0248495 0.0884799 -0.3516496 -0.5086668 0.0672575 -0.1836555 -0.6004733 -0.811241 -0.1658026 0.4571063 -0.2150199 -0.603456 0.3664324 0.4250011 0.2624501 -0.8731862 -0.8517331 0.1764725 -0.4161078 0.1226799 -0.561426 0.2767224 -0.2932346 0.1997064 -0.7447204 -0.3611786 0.0150248 0.0157601 0.0306823 -0.9520179 -0.3988532 0.0612594 -0.3140131 -0.7621016 -1.0194958 0.5507136 0.088799 0.5351764 -2.1558593 0.1130004 0.0014338 0.1858347 -0.4357428 -1.622902 -0.7879605 0.0844419 -0.3140481 -1.3141572 0.0213468 0.0004979 -0.001338 -0.4124468 -1.5301326 -0.3595359 -1.1489744 -0.3796976 -0.8071143 -0.2534519 -1.1746249 -0.2671733 -1.5372063 -0.4460925 -0.076423 0.0660867 -0.0001331 -0.3642269 -0.0037519 0.1158296 0.0719955 -0.4726338 0.6717053 0.0852566 -0.0410503 0.3084102 0.2630247 -0.0453116 -0.0436167 -0.115108 0.3319413 0.1615589 -0.0563938 0.1723534 0.037012 -0.2006919 0.2035536 0.3213283 0.1956495 -0.1020809 -1.1203795 -0.0825684 -0.1072412 -0.0082581 -0.0979062 0.0520542 -0.3789536 -0.1266589 0.1058539 -0.0199695 0.0624743 -0.0390276 0.0778648 -0.0294689 0.0487812 -0.0323828 0.0100066 0.0446409 0.0311132 0.035257 0.0297106 -0.0475318 0.046772 -0.0530752 -0.0075087 -0.0174976 0.0526505 -0.0681278 0.0123019 -0.115328 0.1160373 0.2526454 -0.5981622 -0.0565224 -0.3579318 0.10648 2.4728973 0.649971 -0.0828962 -0.3030407 2.5610836 -0.0419759 0.014101 -0.0679684 0.2704139 -0.26419 -0.0599058 0.0086734 -0.2020236 -0.0018199 1.1378645 -0.0200931 0.7156566 0.4640728 0.9803931 -0.4992469 -0.1935946 -0.2766539 1.1019187 -0.0652684 -0.1180372 -0.1442668 0.5893451 2.0634738 -0.0459474 -0.0519897 0.1044974 2.2732401 -0.6020473 -0.1560081 -0.3092252 2.219026 0.0433869 -0.0632994 0.3149755 0.1287886 0.023696 -0.0128972 0.2517737 -0.0698435 0.1513196 0.1016186 0.1943272 -0.1160979 -0.0015313 0.0278062 0.0523115 -0.0746048 -0.0308615 0.1904896 -0.3086149 -0.0246782 -0.1766963 -0.3686988 -0.3034478 -0.3391005 -0.0073185 0.1095742 -0.2480166 -0.1826831 0.0097077 0.0137772 0.0624427 -0.2125496 0.1165318 -0.0299372 0.0297188 -0.2016115 1.1556507 0.6590896 0.8486 0.9046506 0.6767315 0.7938317 0.7281029 0.4927933 0.7737416 -0.0445624 0.1202943 0.0837808 0.0312502 0.1474309 -0.1268253 0.1247064 -0.0124373 0.0255015 -0.2941548 -0.1191368 -0.0703838 0.0705191 -0.014325 -0.0117723 -0.1557869 -0.2488797 -0.23095 0.8544322 -0.1897569 0.6333822 -0.4279482 0.0973713 -0.3659754 0.7655401 -0.0725726 1.1876498 -0.0814526 -0.0930999 -0.0227201 -0.0021178 -0.1028742 -0.0073448 -0.1734307 0.0127841 -0.2723637 -0.2482743 -0.0015655 -0.1665994 0.028814 -0.1451743 0.061524 -0.0698142 -0.0741061 -0.1188574 0.0070015 -0.0786436 -0.0298017 -0.0985762 -0.135696 -0.0443276 -0.0407104 -0.0374049 0.0952662 0.025771 -0.1150828 -0.032807 -0.1288747 -0.1145024 -0.0399819 -0.007864 -0.0100234 0.0511862 -0.0824026 -0.0647178 0.0506471 -0.0553656 -0.1410264 -0.0575025 0.042599 -0.0682856 -0.0343746 0.0115138 0.0485306 0.0236789 -0.0050911 0.0251312 0.0276387 0.089066 0.0182257 -0.042334 -0.0094629 -0.0075546 0.0357888 -0.0186227 -0.040109 -0.0057947 0.0483982 0.0047385 0.0534311 0.0455228 0.1104058 -0.0259776 0.0973404 -0.0465943 0.0205509 -0.0264468 0.0589982 0.0623037 -0.0964715 -0.1130236 -0.063813 -0.0967317 0.0505225 -0.0893993 -0.045304 -0.0490157 0.0268703 0.0715351 -0.0372219 0.1060744 -0.0517343 0.0325067 0.0596434 0.0652175 0.0432518 -0.1343534 0.0193014 -0.0367907 0.0886647 0.013596 0.0209697 0.1252472 0.0442382 0.1251534 -0.1166488 -0.159935 -0.0413463 -0.1160178 -0.0722426 0.0118524 -0.0028448 -0.0874566 0.0072391 0.0572474 0.072279 0.0437767 -0.0077536 0.0702902 -0.0580024 -0.0868279 0.0263658 -0.1360387 -0.0472425 0.1756141 0.0385689 -0.0194603 -0.0062317 0.0748764 0.0415446 0.0059635 -0.0535117 0.0943978 0.0009691 0.0532029 0.0607365 -0.0128789 0.0724557 -0.0296578 0.0112284 -0.0091238 0.0337514 0.1413945 0.0017222 -0.057626 0.0351621 0.1309096 0.0719793 -0.0624575 0.0607451 0.0732073 0.0863041 -0.0825294 -0.0851022 -0.0970394 0.0410783 -0.0507046 -0.0923767 -0.0346682 0.0857919 0.1034076 0.022904 -0.1022185 0.0149934 0.0788047 0.0718921 -0.1097437 0.0795885 -0.0050147 0.1476736 -0.0666053 -0.0169375 -0.0516808 -0.022513 0.0492876 -0.0194755 0.0550255 0.1364311 -0.0076991 0.0951259 0.0218663 0.0898003 0.1465487 0.0143636 0.0250037 0.008082 0.1228963 0.1315174 0.0494387 0.0537096 0.0433737 0.1811688 0.0277952 0.0421362 0.0217757 -0.0097823 0.0919177 0.0279747 0.0683319 0.0357433 0.1637554 0.0083531 0.0519456 -0.007953 -0.0804088 -0.0460313 0.1002749 0.0363137 0.1125825 0.1327573 0.0029326 0.0402595 -0.0136352 0.0890185 0.0501503 0.0734143 -0.081886 0.0815853 0.1415509 0.0763379 -0.0855437 0.0642041 -0.0123751 376.4251491|-4.5091572|375.1376958|26.3613299|-26.2745573|432.0581044 0.000000444 0.000002452 0.000004570 -0.000006730 -0.000002118 0.000004388 -0.000009367 0.000000142 -0.000009348 0.000000246 0.000003652 0.000007362 -0.000013469 0.000011471 0.000015172 -0.000005926 0.000000731 0.000004920 0.000006548 -0.000001177 0.000014108 -0.000003973 -0.000003378 0.000001790 0.000003832 0.000011227 -0.000003266 -0.000000643 -0.000023531 0.000017789 0.000002781 -0.000003457 -0.000030932 -0.000000170 0.000004591 0.000002694 -0.000001071 -0.000001695 0.000003667 -0.000006696 0.000021500 -0.000009025 0.000006403 -0.000001093 -0.000007580 -0.000006914 -0.000012368 0.000004110 0.000011997 -0.000008294 0.000004202 0.000022618 -0.000003456 -0.000003582 0.000015536 -0.000000815 0.000006063 0.000006866 0.000011065 -0.000003702 -0.000014346 -0.000021191 -0.000006461 -0.000009242 0.000011178 -0.000001827 -0.000010400 0.000010627 -0.000012901 -0.000006852 -0.000010651 0.000004774 0.000012982 0.000005244 0.000011290 -0.000004298 -0.000000076 -0.000015021 0.000001864 0.000001806 0.000003812 -0.000000203 -0.000001637 0.000002727 -0.000002209 0.000000956 -0.000000858 -0.000000570 0.000001395 0.000001028 0.000001027 -0.000002317 0.000000974 0.000004915 0.000003442 0.000000051 -0.000005698 -0.000000372 0.000002182 0.000002466 -0.000004189 0.000000934 0.000001171 -0.000001409 -0.000000099 0.000000058 -0.000001634 -0.000000413 -0.000001388 -0.000000016 -0.000001366 -0.000000070 -0.000000156 0.000001316 0.000002019 0.000000980 -0.000001382 0.000007849 0.000000901 0.000001010 0.000001690 -0.000004433 -0.000003157 0.000000329 0.000007759 -0.000005900 0.000000679 -0.000000854 -0.000002439 0.000000382 -0.000000032 -0.000000667 -0.000002120 0.000000155 -0.000001209 -0.000000770 -0.000001517 -0.000000030 0.000000407 -0.000000116 0.000000661 -0.000000278 0.000000215 0.000000798 -0.000000519 0.000000422 -0.000002058 -0.000001185 0.000000072 0.000000832 430.6992095999997 AuxInfo=1/0/N:9;10;11;12;13;14;15;16;17;18;19;20;21;22;23;24;25;26;27;28;29;30;31;1;2;3;4;8;5;6;7;32;33;34;35;36;37;38;39;40;41;42;43;44;45;46;47;48;49;50/rA:50nCl0F0F0F0O0O0O0N0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:-1.3015,2.2383,3.3942;-2.1174,-.6981,3.5326;.0448,-.5544,3.3955;-1.102,-1.3106,1.7114;1.3221,1.5743,-.1624;2.2355,3.6293,-.2888;.3613,-3.3877,-.6807;3.7671,1.0872,-2.4741;-1.2401,2.9206,-1.2036;-1.3548,2.6421,.2699;-.1367,3.4317,-.2668;-.9664,1.8033,-2.1921;-2.1481,4.0007,-1.7642;-1.2213,1.2891,.8423;1.2482,2.9234,-.2461;-1.2235,1.0098,2.1442;2.6288,.9561,-.112;-1.1013,-.3842,2.6893;2.4089,-.4818,.3075;3.2656,1.0453,-1.4377;1.5122,-1.2586,-.4302;3.0547,-1.0012,1.4243;1.2536,-2.5634,-.0291;2.7977,-2.3226,1.802;1.9015,-3.1048,1.0852;-.4046,-2.8457,-1.7157;.0728,-2.9042,-3.0203;-1.6453,-2.2915,-1.4182;-.7117,-2.3857,-4.0507;-2.422,-1.7772,-2.4559;-1.9559,-1.8194,-3.7705;-2.0289,3.2866,.8249;-.1555,4.4955,-.0664;-.2987,1.0331,-1.8134;-1.91,1.3275,-2.474;-.5151,2.2165,-3.0989;-1.6975,4.4567,-2.6509;-3.1088,3.5652,-2.0571;-2.3409,4.7902,-1.0335;-1.1268,.4469,.1684;3.2615,1.4846,.6037;1.0149,-.8369,-1.2929;3.7407,-.3878,1.9966;3.2914,-2.7393,2.6724;1.6829,-4.1247,1.3789;1.0452,-3.3416,-3.2142;-1.9874,-2.2677,-.3912;-.3479,-2.4241,-5.0714;-3.391,-1.3437,-2.2348;-2.5612,-1.4153,-4.5741; Gaussian 16 10-Oct-2024 Gaussian 16 3-Jul-2019 EM64L-G16RevC.01 144 C1[X(C23H19ClF3NO3)] RB3LYP 6-311+G(d,p) SP #P B3LYP 6-311+G(d,p) EmpiricalDispersion=gd3 scrf=(smd,Solvent=n-Octanol) geom=check guess=read output=wfx 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 430.6992095999997 AuxInfo=1/0/N:9;10;11;12;13;14;15;16;17;18;19;20;21;22;23;24;25;26;27;28;29;30;31;1;2;3;4;8;5;6;7;32;33;34;35;36;37;38;39;40;41;42;43;44;45;46;47;48;49;50/rA:50nCl0F0F0F0O0O0O0N0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:-1.3015,2.2383,3.3942;-2.1174,-.6981,3.5326;.0448,-.5544,3.3955;-1.102,-1.3106,1.7114;1.3221,1.5743,-.1624;2.2355,3.6293,-.2888;.3613,-3.3877,-.6807;3.7671,1.0872,-2.4741;-1.2401,2.9206,-1.2036;-1.3548,2.6421,.2699;-.1367,3.4317,-.2668;-.9664,1.8033,-2.1921;-2.1481,4.0007,-1.7642;-1.2213,1.2891,.8423;1.2482,2.9234,-.2461;-1.2235,1.0098,2.1442;2.6288,.9561,-.112;-1.1013,-.3842,2.6893;2.4089,-.4818,.3075;3.2656,1.0453,-1.4377;1.5122,-1.2586,-.4302;3.0547,-1.0012,1.4243;1.2536,-2.5634,-.0291;2.7977,-2.3226,1.802;1.9015,-3.1048,1.0852;-.4046,-2.8457,-1.7157;.0728,-2.9042,-3.0203;-1.6453,-2.2915,-1.4182;-.7117,-2.3857,-4.0507;-2.422,-1.7772,-2.4559;-1.9559,-1.8194,-3.7705;-2.0289,3.2866,.8249;-.1555,4.4955,-.0664;-.2987,1.0331,-1.8134;-1.91,1.3275,-2.474;-.5151,2.2165,-3.0989;-1.6975,4.4567,-2.6509;-3.1088,3.5652,-2.0571;-2.3409,4.7902,-1.0335;-1.1268,.4469,.1684;3.2615,1.4846,.6037;1.0149,-.8369,-1.2929;3.7407,-.3878,1.9966;3.2914,-2.7393,2.6724;1.6829,-4.1247,1.3789;1.0452,-3.3416,-3.2142;-1.9874,-2.2677,-.3912;-.3479,-2.4241,-5.0714;-3.391,-1.3437,-2.2348;-2.5612,-1.4153,-4.5741; oldchk=opt-b3lyp-pople.chk #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 CONF101 octanol Redundant internal coordinates found in file. (old form). 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 50 35 19 19 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 12 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 34.9688527 18.9984033 18.9984033 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 12.0000000 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 3 1 1 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 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 14.2400000 6.7500000 6.7500000 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 3.6000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 (Enter /usr/local/gaussian/gaussian16/g16/l101.exe) 6-311+G(d,p) (5D, 7F) 0.10000e-02 0.10000e-05 F 835 A 804 A 804 1285 835 116 116 3448.3425485165 50 50 50 1.00e+00 60 F IExCor= 402 DFT=T Ex+Corr=B3LYP ExCW=0 ScaHFX= 0.200000 ScaDFX= 0.800000 0.720000 1.000000 0.810000 ScalE2= 1.000000 1.000000 IRadAn= 5 IRanWt= -1 IRanGd= 0 ICorTp=0 IEmpDi=131 Grimme-D3 -0.0654463370 PCM SMD-Coulomb. Total charges None On-the-fly selection n-Octanol 9.862900 2.043470 0.000000 3.050774 0.000000 3.100309 2.171306 0.000000 3.932741 2.173160 2.173365 0.000000 4.469215 5.535929 4.338391 4.208376 0.000000 5.292388 7.230205 5.989657 6.288269 2.252374 0.000000 7.142981 5.579410 4.974323 3.489720 5.080645 7.273506 0.000000 7.839189 8.596161 7.141613 6.853937 3.399860 3.685614 5.902523 0.000000 4.648499 6.024562 5.905784 5.139975 3.075959 3.663148 6.529356 5.481552 0.000000 3.150705 4.731120 4.684700 4.214999 2.914334 3.765216 6.340984 6.015112 1.503944 0.000000 4.022886 5.950877 5.416104 5.228235 2.364100 2.380500 6.850046 5.060474 1.534995 1.547649 0.000000 5.613267 6.352467 6.148449 4.995250 3.067509 4.148394 5.567163 4.795620 1.516794 2.629912 2.654644 0.000000 5.516426 7.080575 7.223554 6.433004 4.527139 4.640031 7.877737 6.631813 1.518285 2.571426 2.571254 2.531415 0.000000 2.723898 3.462554 3.394212 2.743735 2.749535 4.324967 5.166894 5.993628 2.616810 1.475200 2.645209 3.088241 3.873635 0.000000 4.496923 6.222610 5.177355 5.223295 1.353778 1.214395 6.387946 3.831526 2.666129 2.668545 1.475348 3.153763 3.872880 3.155047 0.000000 1.754319 2.375613 2.370957 2.363615 3.481294 4.974482 5.461741 6.800078 3.854709 2.488894 3.585981 4.415844 5.007499 1.331528 3.935084 0.000000 5.420776 6.208444 4.610947 4.730926 1.446423 2.707781 4.932847 2.625381 4.474293 4.342584 3.714920 4.239140 5.900639 3.980582 2.407217 4.464710 0.000000 2.722996 1.357204 1.356916 1.347039 4.223860 6.009257 4.745248 7.247551 5.108410 3.882898 4.922411 5.350915 6.336938 2.495196 5.007748 1.501867 4.853551 0.000000 5.540184 5.561892 3.889711 3.870990 2.372601 4.157683 3.689651 3.470419 5.212923 4.891412 4.703710 4.781454 6.719355 4.074368 3.639948 4.335073 1.513823 4.243076 0.000000 6.754923 7.531216 6.024334 5.877385 2.383946 3.009636 5.353445 1.152119 4.885945 5.178222 4.317541 4.364994 6.176384 5.038872 3.002836 5.743128 1.473456 6.176202 2.472212 0.000000 5.896761 5.402938 4.157600 3.379900 2.851851 4.943117 2.433173 3.842466 5.063490 4.891426 4.974360 4.315424 6.544978 3.947448 4.194409 4.388389 2.500540 4.162508 1.397055 3.065518 0.000000 5.775112 5.593462 3.625546 4.178126 3.486116 5.004763 4.169031 4.479630 6.382174 5.835336 5.718026 6.092101 7.890145 4.885595 4.632190 4.781850 2.524422 4.387822 1.390774 3.524829 2.425903 0.000000 6.426855 5.246761 4.150365 3.185615 4.140416 6.275423 1.378506 5.061861 6.137801 5.830230 6.158790 5.354939 7.594027 4.661189 5.491159 4.860860 3.779498 4.205266 2.404409 4.365232 1.389369 2.792265 0.000000 6.335681 5.458172 3.639257 4.029913 4.606732 6.333438 3.637866 5.554424 7.268309 6.651285 6.782501 6.866177 8.784167 5.487986 5.840967 5.233801 3.800194 4.443698 2.402776 4.696573 2.787001 1.398112 2.407256 0.000000 6.643732 5.285135 3.910143 3.554171 4.877042 6.880884 2.360187 5.807028 7.170261 6.655457 6.979029 6.561571 8.660504 5.395995 6.207929 5.274200 4.295626 4.357853 2.782505 5.044717 2.419981 2.422773 1.397965 1.388803 0.000000 7.263763 5.923647 5.619296 3.819393 4.993031 7.136616 1.396950 5.783221 5.848975 5.912870 6.447974 4.706967 7.065039 4.930179 6.178531 5.516755 5.121189 5.093932 4.194892 5.356076 2.800962 5.022797 2.382006 4.785605 3.637263 0.000000 8.335458 7.252829 6.832672 5.129211 5.457589 7.404389 2.406356 5.466025 6.241196 6.604977 6.911517 4.891420 7.361200 5.846199 6.560427 6.608513 5.467471 6.350473 4.732869 5.319538 3.389466 5.680507 3.233870 5.569363 4.498805 1.390457 0.000000 6.617884 5.222248 5.389480 3.324436 5.032584 7.168793 2.402577 6.467182 5.232200 5.222531 6.029599 4.222173 6.321659 4.255593 6.077961 4.875201 5.524573 4.561315 4.763402 5.937317 3.465997 5.642290 3.226109 5.487366 4.416816 1.391081 2.427757 0.000000 8.783793 7.894884 7.705316 5.874497 5.910674 7.682259 3.675839 5.882631 6.044977 6.660343 6.963461 4.589786 6.933735 6.140412 6.819259 7.082945 6.151351 7.041673 5.688279 5.866665 4.395850 6.788084 4.479633 6.824445 5.807100 2.399619 1.394949 2.794706 0.000000 7.183523 6.092528 6.466830 4.396193 5.523642 7.457745 3.673146 6.819770 5.003411 5.300873 6.094802 3.873978 5.825533 4.660636 6.359951 5.510429 6.202812 5.491639 5.714191 6.430517 4.455363 6.756682 4.474144 6.758121 5.744045 2.399928 2.795106 1.394450 2.416351 0.000000 8.259875 7.390394 7.546867 5.571289 5.939733 7.705682 4.168439 6.548350 5.437706 6.049074 6.569525 4.073526 6.159139 5.610686 6.721716 6.597315 6.488994 6.672288 6.121332 6.396250 4.847641 7.263743 4.985270 7.341823 6.333170 2.771695 2.419752 2.419202 1.395462 1.395412 0.000000 2.868696 4.818459 5.065767 4.772804 3.890471 4.420627 7.247508 7.022345 2.206931 1.085164 2.189262 3.525829 2.688312 2.154655 3.466669 2.751898 5.291764 4.220424 5.844820 6.178463 5.896899 6.677409 6.762177 7.464170 7.507657 6.833582 7.584748 6.024417 7.594775 6.046473 6.869759 0.000000 4.287600 6.616211 6.125844 6.145499 3.275059 2.552758 7.923950 5.727161 2.224814 2.232996 1.082687 3.524848 2.664118 3.498939 2.115175 4.263431 4.503547 5.683300 5.611498 5.048551 6.001923 6.537713 7.198275 7.661497 7.957436 7.528288 7.970773 7.078823 7.970836 7.084686 7.539170 2.401028 0.000000 5.438491 5.906235 5.456274 4.308415 2.376067 3.935329 4.611027 4.119455 2.195666 2.836339 2.858596 1.087434 3.497035 2.823027 2.902193 4.064292 3.386874 4.788254 3.758185 3.584026 3.231747 5.085928 4.304431 5.824007 5.510344 3.881433 4.134812 3.608611 4.106538 3.580295 3.835730 3.877154 3.880847 0.000000 5.969550 6.342320 6.466403 5.013008 3.981286 5.220910 5.532419 5.682092 2.144923 3.092838 3.527567 1.093647 2.776043 3.387264 4.181422 4.679754 5.130040 5.499477 5.446347 5.285775 4.751434 6.728158 5.579000 7.332757 6.843947 4.500757 4.704993 3.779109 4.208249 3.146654 3.403774 3.838597 4.348664 1.766138 0.000000 6.540543 7.418773 7.083005 5.993684 3.522886 4.178297 6.166284 4.472451 2.147903 3.497861 3.104901 1.093892 2.762428 4.109952 3.427402 5.426589 4.516030 6.372675 5.237765 4.292399 4.827868 6.599799 5.949803 7.456343 7.187656 5.248986 5.154993 4.942085 4.703721 4.472053 4.337677 4.339588 3.810373 1.760668 1.768159 0.000000 6.451419 8.061226 8.044007 7.255790 4.859932 4.661787 8.345973 6.422331 2.159542 3.455595 3.028301 2.790310 1.094195 4.739503 4.100086 5.924391 6.116973 7.232448 7.071290 6.143384 6.920867 8.305436 8.053912 9.273299 9.169878 7.474744 7.579831 6.860060 7.053359 6.278884 6.380414 3.682331 3.009788 3.792041 3.141422 2.572382 0.000000 5.894355 7.099534 7.526490 6.480963 5.214082 5.629569 7.891742 7.320649 2.153153 3.056710 3.472210 2.777161 1.094717 4.141238 4.761791 5.266428 6.596295 6.492867 7.239782 6.882285 6.875304 8.423895 7.791292 9.189445 8.914342 6.966315 7.273510 6.070503 6.718181 5.401118 5.767049 3.090233 3.681048 3.790512 2.572655 3.103444 1.771738 0.000000 5.215075 7.142871 7.339817 6.803641 4.951614 4.779671 8.620006 7.286596 2.176247 2.699146 2.700336 3.486176 1.092874 4.126731 4.121417 5.063353 6.344089 6.493940 7.221656 6.754220 7.197101 8.288204 8.246533 9.221560 9.209603 7.907060 8.305239 7.126143 7.953032 6.720123 7.164185 2.410743 2.407910 4.346822 3.775056 3.771305 1.772267 1.771415 0.000000 3.694006 3.689188 3.576310 2.338914 2.716161 4.652018 4.199952 5.598435 2.830932 2.209402 3.174657 2.727170 4.172154 1.082779 3.456234 2.056765 3.800287 2.654577 3.658250 4.714914 3.198651 4.599954 3.842847 5.073504 4.756587 3.861644 4.778742 3.206990 5.098621 3.675696 4.619296 3.051025 4.170065 2.226351 2.893257 3.765710 4.934828 4.313363 4.667212 0.000000 5.401540 6.501906 4.722155 5.299145 2.087193 2.539524 5.813765 3.144285 5.058978 4.770998 4.012127 5.078777 6.418824 4.493485 2.616533 4.765963 1.091743 5.184234 2.163606 2.088153 3.413809 2.625914 4.562702 4.018164 4.810769 6.129537 6.524036 6.513383 7.240744 7.232059 7.567778 5.593263 4.603361 4.326841 6.020081 5.339296 6.634611 7.210425 6.707823 4.530314 0.000000 6.065587 5.754597 4.796066 3.705647 2.680665 4.737552 2.703453 3.559725 4.383090 4.490165 4.538660 3.421178 5.798965 3.752262 3.910245 4.498295 2.685840 4.532240 2.151886 2.937538 1.081375 3.401658 2.152959 3.868345 3.403617 2.495829 2.854029 3.034555 3.603495 3.748202 3.991173 5.545484 5.595360 2.343720 3.825470 3.863389 6.101086 6.080077 6.556855 2.893119 3.746131 0.000000 5.854404 6.064029 3.955269 4.938144 3.789584 4.860648 5.252416 4.707874 6.781993 6.174701 5.894574 6.671117 8.251056 5.363446 4.712446 5.159364 2.736535 4.891275 2.153077 3.751608 3.407964 1.083707 3.875876 2.161179 3.405211 6.083258 6.704909 6.655440 7.770789 7.728810 8.231686 6.939919 6.578991 5.731673 7.406691 7.131553 8.639618 8.886798 8.542804 5.266117 2.382358 4.295670 0.000000 6.811186 5.844721 3.979528 4.718771 5.524590 7.102262 4.499933 6.430798 8.221424 7.504609 7.646657 7.901113 9.731268 6.319952 6.690218 5.892321 4.674120 4.984153 3.386437 5.587251 3.870969 2.152785 3.388444 1.083985 2.141229 5.738202 6.541704 6.426920 7.832596 7.737457 8.360120 8.248023 8.468985 6.873264 8.371286 8.506324 10.247384 10.152717 10.106904 5.995193 4.703324 4.952314 2.487562 0.000000 7.311387 5.551741 4.415578 3.973096 5.914765 7.950538 2.555729 6.808357 8.052913 7.499874 7.944699 7.410268 9.517182 6.166988 7.246126 5.949521 5.378828 4.843539 3.866020 6.096547 3.393638 3.411771 2.145771 2.160880 1.083689 3.945843 4.840968 4.718231 6.183708 6.088242 6.713540 8.307344 8.931759 6.381222 7.581559 8.068040 10.065152 9.690292 10.074042 5.500848 5.878538 4.288910 4.310557 2.485971 0.000000 8.961781 7.906237 7.242778 5.744315 5.792771 7.652997 2.624516 5.250782 6.962813 7.328361 7.480756 5.617925 8.136884 6.560165 6.935545 7.266014 5.531867 6.942980 4.737173 5.227942 3.508203 5.570590 3.285395 5.410308 4.390183 2.143227 1.083776 3.401084 2.167994 3.878666 3.410788 8.348498 8.530582 4.786043 5.575089 5.774195 8.285790 8.142453 9.074561 5.523775 6.540687 3.156921 6.568370 6.329324 4.702780 0.000000 5.924866 4.228073 4.626576 2.474070 5.076067 7.253826 2.618195 6.979128 5.304433 4.994407 5.993635 4.567139 6.418990 3.841783 6.118696 4.213600 5.637397 3.717878 4.796410 6.298064 3.642450 5.506681 3.274630 5.264080 4.243101 2.143273 3.400241 1.082744 3.877250 2.166203 3.409042 5.686060 7.014432 3.971087 4.155679 5.441301 7.099887 6.168966 7.095901 2.902237 6.528499 3.445934 6.484421 6.121626 4.478051 4.280111 0.000000 9.711503 8.951987 8.679793 6.914840 6.547800 8.135723 4.550748 6.000607 6.657452 7.430359 7.577498 5.151984 7.446863 7.037197 7.377427 8.038877 6.699362 8.059615 6.348606 6.188469 5.134053 7.469705 5.292350 7.559626 6.589844 3.382589 2.148124 3.879007 1.084304 3.400192 2.154950 8.378750 8.542098 4.750652 4.822942 5.045211 7.417949 7.251251 8.504251 6.025291 7.778940 4.318952 8.415452 8.562138 6.972963 2.496354 4.961523 0.000000 6.991567 5.941520 6.642960 4.562151 5.917979 7.757189 4.546788 7.563319 4.886052 5.128958 6.104672 3.972831 5.507091 4.594266 6.609447 5.423358 6.784744 5.514594 6.390998 7.117038 5.225433 7.419826 5.284478 7.453446 6.491066 3.382933 3.879417 2.147668 3.400261 1.084318 2.155000 5.714582 7.018958 3.922819 3.063605 4.657476 6.056848 4.920210 6.337980 3.756051 7.766089 4.533860 8.347463 8.407323 6.821835 4.962948 2.494549 4.298139 0.000000 8.856029 8.150410 8.428986 6.453508 6.594011 8.174361 5.252602 7.121775 5.648540 6.432954 6.922747 4.310029 6.115503 6.200508 7.215799 7.266806 7.243629 7.480107 7.028774 7.059970 5.812834 8.227485 6.043872 8.378271 7.402505 3.855863 3.401323 3.400879 2.153235 2.153372 1.084171 7.179156 7.813103 4.328400 3.515330 4.421912 6.239064 5.607241 7.147919 5.293039 8.314060 4.887694 9.162140 9.408402 7.796875 4.308878 4.307232 2.482723 2.483091 0.000000 C23H19ClF3NO3 C1 1 C1 1 C1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 430.6992095999997 AuxInfo=1/0/N:9;10;11;12;13;14;15;16;17;18;19;20;21;22;23;24;25;26;27;28;29;30;31;1;2;3;4;8;5;6;7;32;33;34;35;36;37;38;39;40;41;42;43;44;45;46;47;48;49;50/rA:50nCl0F0F0F0O0O0O0N0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:3.8043,1.5294,-.9997;1.5876,3.1291,-2.3542;1.3013,3.1758,-.2023;-.0677,2.0451,-1.4556;.9119,-.8022,1.4845;2.3948,-1.9086,2.7689;-3.3092,1.3175,-.3871;-1.1266,-2.2063,3.8152;1.8409,-2.6778,-.7695;2.4355,-1.3079,-.9478;2.6059,-2.0459,.4018;.3387,-2.8762,-.7017;2.5616,-3.8261,-1.4531;1.6146,-.0889,-1.0762;1.9878,-1.6035,1.6662;2.0975,1.1502,-1.1427;.2314,-.2845,2.6512;1.2297,2.3671,-1.2896;-.6889,.813,2.1611;-.5175,-1.3717,3.3054;-1.5952,.513,1.1412;-.6039,2.0975,2.6876;-2.4103,1.5196,.6383;-1.4456,3.0934,2.1834;-2.3449,2.8138,1.1627;-3.3125,.0763,-1.0281;-4.1473,-.9317,-.5584;-2.5045,-.1087,-2.1452;-4.1647,-2.1585,-1.222;-2.5305,-1.3385,-2.8019;-3.3556,-2.3648,-2.3401;3.3723,-1.2632,-1.4937;3.594,-2.4504,.5815;-.1898,-2.0727,-.1941;-.0632,-2.9612,-1.7152;.114,-3.8069,-.1726;2.3831,-4.763,-.9168;2.1894,-3.9439,-2.4758;3.6406,-3.659,-1.5007;.5383,-.1912,-1.1356;.9615,.1011,3.3655;-1.6443,-.49,.7398;.1095,2.3234,3.4715;-1.3876,4.0998,2.5821;-2.9904,3.5822,.7536;-4.7616,-.7522,.3162;-1.8709,.7005,-2.486;-4.8102,-2.9522,-.8626;-1.905,-1.4927,-3.6741;-3.3704,-3.3208,-2.8514; 0.1519041 0.1288752 0.1159066 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= 804 RedAO= T EigKep= 1.29D-06 NBF= 804 NBsUse= 800 1.00D-06 EigRej= 9.40D-07 NBFU= 800 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= 829 829 829 829 829 MxSgAt= 50 MxSgA2= 50. 1 Closed 1 1 1 -1928.50148702749 -1928.50148703 1 1.921695283195e+03 -1.142400671435e+04 4.125530008712e+03 Using DIIS extrapolation, IDIIS= 1040. NGot= 1415577600 LenX= 1414167521 LenY= 1413469461 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. PT1629.200S 2024-10-10T06:04:00.000 -101.57462 -24.72975 -24.72438 -24.72346 -19.19287 -19.17172 -19.13176 -14.33433 -10.44864 -10.32568 -10.29230 -10.25914 -10.24993 -10.24096 -10.23320 -10.21523 -10.21223 -10.20705 -10.20633 -10.20567 -10.18567 -10.18458 -10.18332 -10.18321 -10.18290 -10.18216 -10.18209 -10.18194 -10.17935 -10.16375 -10.16271 -9.48912 -7.25383 -7.24389 -7.24353 -1.33252 -1.24666 -1.24050 -1.13465 -1.08925 -1.04523 -0.93460 -0.91251 -0.89341 -0.88035 -0.86467 -0.81715 -0.79797 -0.77139 -0.75956 -0.75511 -0.74950 -0.73839 -0.72708 -0.69736 -0.67875 -0.64957 -0.64354 -0.62432 -0.62298 -0.61505 -0.61074 -0.60830 -0.59152 -0.56302 -0.55935 -0.55244 -0.54925 -0.51891 -0.51061 -0.50625 -0.49614 -0.49006 -0.48771 -0.48390 -0.48170 -0.47884 -0.46921 -0.46069 -0.45404 -0.45335 -0.44990 -0.44675 -0.44326 -0.44012 -0.43208 -0.42902 -0.42530 -0.42290 -0.41626 -0.40869 -0.40256 -0.39615 -0.39489 -0.38924 -0.38551 -0.38348 -0.37952 -0.37490 -0.37292 -0.36793 -0.36203 -0.35694 -0.35246 -0.34806 -0.33860 -0.33804 -0.33768 -0.33060 -0.30960 -0.29095 -0.27171 -0.26905 -0.26543 -0.25860 -0.24276 -0.04988 -0.04469 -0.02288 -0.02094 -0.01773 -0.01695 -0.00657 0.00170 0.00299 0.00953 0.01567 0.01623 0.01984 0.02662 0.03108 0.03249 0.03471 0.03729 0.04385 0.04860 0.04998 0.05063 0.05499 0.05911 0.06003 0.06561 0.06959 0.07006 0.07501 0.07820 0.07990 0.08324 0.08737 0.08903 0.09300 0.09884 0.09948 0.10132 0.10340 0.10620 0.10923 0.11348 0.11475 0.11894 0.12048 0.12169 0.12349 0.12820 0.12935 0.13411 0.13496 0.13745 0.13901 0.14022 0.14200 0.14346 0.14715 0.15192 0.15543 0.15724 0.15783 0.16046 0.16275 0.16455 0.16529 0.16980 0.17392 0.17527 0.17740 0.18033 0.18206 0.18385 0.18667 0.18794 0.18999 0.19248 0.19705 0.19826 0.20131 0.20143 0.20431 0.20655 0.20952 0.21061 0.21184 0.21325 0.21606 0.21651 0.21874 0.22089 0.22477 0.22773 0.22857 0.22953 0.23120 0.23387 0.23543 0.23630 0.24123 0.24369 0.24398 0.24606 0.24749 0.25126 0.25197 0.25470 0.25552 0.25871 0.26164 0.26184 0.26440 0.26706 0.26777 0.26921 0.27237 0.27429 0.27923 0.28049 0.28295 0.28515 0.28928 0.29144 0.29422 0.29690 0.29856 0.30003 0.30648 0.30929 0.31202 0.31388 0.31870 0.32237 0.32345 0.32476 0.33067 0.33436 0.33518 0.33820 0.34225 0.34603 0.34648 0.35086 0.35196 0.35440 0.35889 0.36346 0.36706 0.37149 0.37376 0.37672 0.37996 0.38435 0.38706 0.39085 0.39329 0.39553 0.40164 0.40606 0.40820 0.40972 0.41719 0.42078 0.42600 0.43622 0.43705 0.44146 0.44209 0.45271 0.45528 0.46087 0.46515 0.46954 0.47566 0.48220 0.48636 0.49283 0.49796 0.50409 0.50522 0.51102 0.51587 0.52200 0.53108 0.53866 0.54307 0.55154 0.55447 0.55881 0.56245 0.56533 0.57160 0.57333 0.57894 0.58197 0.58618 0.58976 0.59578 0.60292 0.60453 0.61128 0.61750 0.62012 0.62253 0.62801 0.63323 0.63771 0.63836 0.64815 0.65346 0.65441 0.65524 0.65773 0.66769 0.66881 0.67304 0.67688 0.67948 0.68447 0.68774 0.68891 0.69047 0.69655 0.70196 0.70353 0.70711 0.70749 0.71405 0.71522 0.71718 0.72238 0.72633 0.73252 0.73705 0.74175 0.74403 0.74894 0.75166 0.75523 0.76002 0.76682 0.76973 0.77423 0.77983 0.78155 0.78532 0.78826 0.79249 0.79903 0.80163 0.81024 0.81197 0.81564 0.82255 0.82811 0.83208 0.83640 0.83930 0.84618 0.84845 0.85460 0.85778 0.86389 0.86951 0.87773 0.87902 0.88483 0.88987 0.89616 0.90367 0.91345 0.91668 0.91804 0.91974 0.92339 0.94002 0.94460 0.95375 0.95874 0.96613 0.96806 0.97589 0.99035 0.99237 0.99589 1.00442 1.01114 1.01747 1.02146 1.02651 1.03656 1.03852 1.04175 1.04847 1.06184 1.06208 1.07100 1.07597 1.07922 1.08440 1.09073 1.10421 1.10741 1.11271 1.12070 1.12828 1.14234 1.14601 1.15601 1.16304 1.17575 1.18103 1.18503 1.19432 1.20448 1.21065 1.21699 1.23532 1.23673 1.25283 1.25849 1.26110 1.27666 1.29143 1.30072 1.31426 1.31508 1.32140 1.33895 1.34821 1.36643 1.37320 1.37536 1.38239 1.38533 1.39966 1.40644 1.40993 1.42788 1.43259 1.44285 1.44562 1.45234 1.46480 1.47331 1.47660 1.47901 1.48620 1.49295 1.49779 1.51004 1.51683 1.52197 1.52353 1.52484 1.53259 1.53841 1.54365 1.55138 1.55186 1.55826 1.56586 1.56958 1.57498 1.57781 1.58276 1.58616 1.58993 1.59855 1.60134 1.60697 1.61340 1.61923 1.62142 1.63808 1.64889 1.65328 1.65590 1.66147 1.66780 1.67307 1.67720 1.68066 1.68172 1.68932 1.69533 1.70493 1.70853 1.71518 1.72551 1.73444 1.73643 1.75219 1.75652 1.75840 1.76382 1.76955 1.77771 1.78914 1.79178 1.79748 1.80883 1.81432 1.81849 1.82640 1.83781 1.84251 1.85257 1.85802 1.87249 1.87602 1.88421 1.89051 1.89680 1.90373 1.90845 1.92361 1.92427 1.93131 1.93555 1.93912 1.94316 1.95277 1.96165 1.96600 1.97358 1.97897 1.98622 1.99318 1.99791 2.00739 2.00907 2.01813 2.02517 2.03086 2.03532 2.04337 2.04902 2.05609 2.06462 2.07811 2.08380 2.08631 2.10006 2.10337 2.10964 2.11680 2.11745 2.12417 2.13200 2.14513 2.14944 2.16665 2.18225 2.19530 2.19729 2.21508 2.23101 2.23449 2.24194 2.26208 2.27104 2.28908 2.29405 2.29966 2.32432 2.33492 2.34190 2.35344 2.36419 2.39169 2.41264 2.41822 2.42149 2.43062 2.44387 2.45058 2.46330 2.46636 2.48188 2.48475 2.49601 2.50791 2.51007 2.52462 2.53185 2.55187 2.56145 2.57889 2.58470 2.61524 2.62011 2.62857 2.65107 2.65701 2.66093 2.66525 2.67821 2.69187 2.71686 2.71746 2.72663 2.73447 2.74480 2.75064 2.75442 2.76406 2.76910 2.77104 2.77681 2.78094 2.78936 2.79085 2.79929 2.80029 2.80202 2.81250 2.81701 2.82342 2.82549 2.83337 2.84337 2.84602 2.85296 2.85397 2.87559 2.88304 2.89078 2.89402 2.89982 2.90334 2.90778 2.92202 2.93085 2.93673 2.94163 2.95224 2.95598 2.96754 2.97920 2.98185 2.98495 2.99782 3.01213 3.02773 3.03436 3.04666 3.06921 3.07878 3.09086 3.11132 3.11675 3.12279 3.13218 3.13832 3.15065 3.16335 3.16962 3.18333 3.19420 3.20198 3.22206 3.22985 3.25218 3.26820 3.29074 3.33389 3.33781 3.35259 3.35861 3.37812 3.38235 3.40578 3.43182 3.44458 3.45043 3.53307 3.54318 3.55096 3.55809 3.58231 3.60175 3.63490 3.63876 3.66609 3.67857 3.69864 3.70618 3.71691 3.73826 3.73951 3.74347 3.76330 3.77219 3.78364 3.79603 3.80955 3.82584 3.84738 3.86073 3.88946 3.90331 3.91955 3.95084 3.98902 4.00858 4.01547 4.02383 4.03377 4.03599 4.09885 4.10094 4.11303 4.13564 4.15195 4.15680 4.15892 4.17256 4.18482 4.19496 4.19887 4.26695 4.30894 4.37446 4.55470 4.57591 4.65568 4.70732 4.83806 4.85694 4.92379 4.96697 5.10459 5.14190 5.17252 5.23770 5.45461 5.47092 5.65087 5.88056 5.89147 6.32934 6.37838 6.38893 6.41289 6.43596 6.46903 6.50115 6.73334 6.81508 9.81469 23.52131 23.61867 23.64103 23.67762 23.79299 23.80752 23.87521 23.88517 23.94836 23.95702 23.96412 23.97732 23.98603 24.00300 24.02304 24.07700 24.07954 24.09205 24.09872 24.18387 24.19472 24.22051 24.34925 25.92319 26.21532 26.72440 35.87552 49.94134 49.99106 50.01551 66.75836 66.78209 66.83061 215.81477 1-A. Mulliken charges: 1 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 50 Cl F F 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 C H H H H H H H H H H H H H H H H H H H 0.468225 -0.071262 -0.036041 -0.053054 0.152121 -0.295151 -0.072456 -0.309408 -0.132380 -0.064027 -0.209958 -0.785036 -0.160748 -0.098268 -0.088724 -0.045057 0.264259 -0.149435 0.624935 -0.382370 -0.065180 -0.514847 -0.529383 -0.034626 -0.016936 -0.205962 -0.177868 0.063621 -0.145034 -0.118153 -0.188633 0.206936 0.208482 0.130688 0.176199 0.173388 0.172724 0.168218 0.160040 0.197174 0.250312 0.218614 0.155800 0.166766 0.161953 0.163368 0.178129 0.165197 0.163694 0.159155 -0.00000 0.8026 -1.4591 -4.9731 5.2445 -189.5996 -186.1706 -202.1603 -4.7819 -2.3517 35.2794 3.0439 6.4729 -9.5168 -4.7819 -2.3517 35.2794 57.5449 46.3928 -111.5217 -10.2941 -25.6017 -25.8602 26.2407 90.4404 -47.3992 5.3761 -6357.4802 -4647.2850 -4185.4646 128.9066 -187.9695 -64.2767 216.1631 66.3741 327.6891 -1781.5508 -1922.0928 -1585.9987 105.0969 21.4277 16.7055 (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A) (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(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-HAMILTON27 APULGAR 2024-10-10T00:00:00.000 0 Wavefunction CONF101 octanol 0 1 Version=EM64L-G16RevC.01 State=1-A HF=-1928.501487 RMSD=3.255e-09 Dipole=-2.0330782,0.1998019,-0.2899536 Quadrupole=-0.3873248,-0.0236811,0.4110058,-17.1144155,21.1512558,1.5529898 PG=C01 [X(C23H19Cl1F3N1O3)] 0 -1.3015418155 2.2383065688 3.3941901736 0 -2.1173578743 -0.6981059812 3.5325647842 0 0.0448491341 -0.554388163 3.3955417322 0 -1.1020382235 -1.3106282036 1.7114202132 0 1.3221112786 1.5742794699 -0.1624082208 0 2.2354577795 3.6292785336 -0.2887713331 0 0.3613470608 -3.3876980575 -0.6807395626 0 3.7670573906 1.0871966574 -2.4741258905 0 -1.2401115425 2.9205888826 -1.2035551782 0 -1.3548445821 2.6421435836 0.269928093 0 -0.1367235276 3.4316632373 -0.2667807118 0 -0.9664109206 1.8032556332 -2.1921490134 0 -2.1480596287 4.0006602829 -1.7641500877 0 -1.2213453163 1.2890782208 0.8422974369 0 1.2481723604 2.9234426581 -0.2461207965 0 -1.2235326978 1.0098467054 2.1442163673 0 2.6287846333 0.9560568955 -0.1119731923 0 -1.101254049 -0.3842452839 2.6893410949 0 2.4088886272 -0.4817657715 0.3075178964 0 3.2655610069 1.0453464532 -1.4377243971 0 1.5122175892 -1.2585964023 -0.4302340102 0 3.054716156 -1.001238697 1.4243472062 0 1.2536498607 -2.5634232838 -0.0290913893 0 2.7976889783 -2.3226185549 1.8019837839 0 1.9014665231 -3.1047609724 1.0851764543 0 -0.4045906602 -2.8457064249 -1.7156574872 0 0.0727686797 -2.904214278 -3.0202940985 0 -1.6453421056 -2.2914760635 -1.4182172762 0 -0.7116716037 -2.3856790457 -4.0506620737 0 -2.4219939084 -1.7771662984 -2.4559012776 0 -1.9558998232 -1.8193615898 -3.7704925122 0 -2.0288540982 3.2866180205 0.8248564426 0 -0.1555288129 4.4954714681 -0.0663555877 0 -0.2987018885 1.0330505197 -1.8133866722 0 -1.9099509793 1.3274942668 -2.4740109356 0 -0.5151262557 2.2165431078 -3.0988656108 0 -1.6974956643 4.4567309807 -2.6508595738 0 -3.108789229 3.5652432553 -2.0570955098 0 -2.3408794675 4.7902006002 -1.0335200467 0 -1.1267901655 0.4468909331 0.1683613781 0 3.2615412304 1.4845622479 0.6037109656 0 1.014903187 -0.8368579323 -1.2928969463 0 3.7407215595 -0.3878071477 1.9966395623 0 3.2913937017 -2.7392692286 2.672432536 0 1.6828790295 -4.1247273929 1.3788948386 0 1.045209177 -3.3416383684 -3.2141746079 0 -1.9874357636 -2.2677260873 -0.3912108633 0 -0.3478545944 -2.4240749393 -5.0713858733 0 -3.3909809857 -1.3436510061 -2.234827487 0 -2.5612307187 -1.4153286499 -4.5740836991 Gaussian 16 10-Oct-2024 Gaussian 16 3-Jul-2019 EM64L-G16RevC.01 144 C1[X(C23H19ClF3NO3)] RB3LYP TD-FC 6-311+G(d,p) SP #P B3LYP 6-311+G(d,p) EmpiricalDispersion=gd3 scrf=(smd,Solvent=n-Octanol) geom=check guess=read td=(singlets,nstates=10) 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 430.6992095999997 AuxInfo=1/0/N:9;10;11;12;13;14;15;16;17;18;19;20;21;22;23;24;25;26;27;28;29;30;31;1;2;3;4;8;5;6;7;32;33;34;35;36;37;38;39;40;41;42;43;44;45;46;47;48;49;50/rA:50nCl0F0F0F0O0O0O0N0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:-1.3015,2.2383,3.3942;-2.1174,-.6981,3.5326;.0448,-.5544,3.3955;-1.102,-1.3106,1.7114;1.3221,1.5743,-.1624;2.2355,3.6293,-.2888;.3613,-3.3877,-.6807;3.7671,1.0872,-2.4741;-1.2401,2.9206,-1.2036;-1.3548,2.6421,.2699;-.1367,3.4317,-.2668;-.9664,1.8033,-2.1921;-2.1481,4.0007,-1.7642;-1.2213,1.2891,.8423;1.2482,2.9234,-.2461;-1.2235,1.0098,2.1442;2.6288,.9561,-.112;-1.1013,-.3842,2.6893;2.4089,-.4818,.3075;3.2656,1.0453,-1.4377;1.5122,-1.2586,-.4302;3.0547,-1.0012,1.4243;1.2536,-2.5634,-.0291;2.7977,-2.3226,1.802;1.9015,-3.1048,1.0852;-.4046,-2.8457,-1.7157;.0728,-2.9042,-3.0203;-1.6453,-2.2915,-1.4182;-.7117,-2.3857,-4.0507;-2.422,-1.7772,-2.4559;-1.9559,-1.8194,-3.7705;-2.0289,3.2866,.8249;-.1555,4.4955,-.0664;-.2987,1.0331,-1.8134;-1.91,1.3275,-2.474;-.5151,2.2165,-3.0989;-1.6975,4.4567,-2.6509;-3.1088,3.5652,-2.0571;-2.3409,4.7902,-1.0335;-1.1268,.4469,.1684;3.2615,1.4846,.6037;1.0149,-.8369,-1.2929;3.7407,-.3878,1.9966;3.2914,-2.7393,2.6724;1.6829,-4.1247,1.3789;1.0452,-3.3416,-3.2142;-1.9874,-2.2677,-.3912;-.3479,-2.4241,-5.0714;-3.391,-1.3437,-2.2348;-2.5612,-1.4153,-4.5741; oldchk=opt-b3lyp-pople.chk #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 CONF101 octanol Redundant internal coordinates found in file. (old form). 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 50 35 19 19 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 12 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 34.9688527 18.9984033 18.9984033 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 12.0000000 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 3 1 1 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 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 14.2400000 6.7500000 6.7500000 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 3.6000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 (Enter /usr/local/gaussian/gaussian16/g16/l101.exe) 6-311+G(d,p) (5D, 7F) 0.10000e-02 0.10000e-05 F 835 A 804 A 804 1285 835 116 116 3448.3425485165 50 50 50 1.00e+00 60 F IExCor= 402 DFT=T Ex+Corr=B3LYP ExCW=0 ScaHFX= 0.200000 ScaDFX= 0.800000 0.720000 1.000000 0.810000 ScalE2= 1.000000 1.000000 IRadAn= 5 IRanWt= -1 IRanGd= 0 ICorTp=0 IEmpDi=131 Grimme-D3 -0.0654463370 PCM SMD-Coulomb. Total charges None On-the-fly selection n-Octanol 9.862900 2.043470 0.000000 3.050774 0.000000 3.100309 2.171306 0.000000 3.932741 2.173160 2.173365 0.000000 4.469215 5.535929 4.338391 4.208376 0.000000 5.292388 7.230205 5.989657 6.288269 2.252374 0.000000 7.142981 5.579410 4.974323 3.489720 5.080645 7.273506 0.000000 7.839189 8.596161 7.141613 6.853937 3.399860 3.685614 5.902523 0.000000 4.648499 6.024562 5.905784 5.139975 3.075959 3.663148 6.529356 5.481552 0.000000 3.150705 4.731120 4.684700 4.214999 2.914334 3.765216 6.340984 6.015112 1.503944 0.000000 4.022886 5.950877 5.416104 5.228235 2.364100 2.380500 6.850046 5.060474 1.534995 1.547649 0.000000 5.613267 6.352467 6.148449 4.995250 3.067509 4.148394 5.567163 4.795620 1.516794 2.629912 2.654644 0.000000 5.516426 7.080575 7.223554 6.433004 4.527139 4.640031 7.877737 6.631813 1.518285 2.571426 2.571254 2.531415 0.000000 2.723898 3.462554 3.394212 2.743735 2.749535 4.324967 5.166894 5.993628 2.616810 1.475200 2.645209 3.088241 3.873635 0.000000 4.496923 6.222610 5.177355 5.223295 1.353778 1.214395 6.387946 3.831526 2.666129 2.668545 1.475348 3.153763 3.872880 3.155047 0.000000 1.754319 2.375613 2.370957 2.363615 3.481294 4.974482 5.461741 6.800078 3.854709 2.488894 3.585981 4.415844 5.007499 1.331528 3.935084 0.000000 5.420776 6.208444 4.610947 4.730926 1.446423 2.707781 4.932847 2.625381 4.474293 4.342584 3.714920 4.239140 5.900639 3.980582 2.407217 4.464710 0.000000 2.722996 1.357204 1.356916 1.347039 4.223860 6.009257 4.745248 7.247551 5.108410 3.882898 4.922411 5.350915 6.336938 2.495196 5.007748 1.501867 4.853551 0.000000 5.540184 5.561892 3.889711 3.870990 2.372601 4.157683 3.689651 3.470419 5.212923 4.891412 4.703710 4.781454 6.719355 4.074368 3.639948 4.335073 1.513823 4.243076 0.000000 6.754923 7.531216 6.024334 5.877385 2.383946 3.009636 5.353445 1.152119 4.885945 5.178222 4.317541 4.364994 6.176384 5.038872 3.002836 5.743128 1.473456 6.176202 2.472212 0.000000 5.896761 5.402938 4.157600 3.379900 2.851851 4.943117 2.433173 3.842466 5.063490 4.891426 4.974360 4.315424 6.544978 3.947448 4.194409 4.388389 2.500540 4.162508 1.397055 3.065518 0.000000 5.775112 5.593462 3.625546 4.178126 3.486116 5.004763 4.169031 4.479630 6.382174 5.835336 5.718026 6.092101 7.890145 4.885595 4.632190 4.781850 2.524422 4.387822 1.390774 3.524829 2.425903 0.000000 6.426855 5.246761 4.150365 3.185615 4.140416 6.275423 1.378506 5.061861 6.137801 5.830230 6.158790 5.354939 7.594027 4.661189 5.491159 4.860860 3.779498 4.205266 2.404409 4.365232 1.389369 2.792265 0.000000 6.335681 5.458172 3.639257 4.029913 4.606732 6.333438 3.637866 5.554424 7.268309 6.651285 6.782501 6.866177 8.784167 5.487986 5.840967 5.233801 3.800194 4.443698 2.402776 4.696573 2.787001 1.398112 2.407256 0.000000 6.643732 5.285135 3.910143 3.554171 4.877042 6.880884 2.360187 5.807028 7.170261 6.655457 6.979029 6.561571 8.660504 5.395995 6.207929 5.274200 4.295626 4.357853 2.782505 5.044717 2.419981 2.422773 1.397965 1.388803 0.000000 7.263763 5.923647 5.619296 3.819393 4.993031 7.136616 1.396950 5.783221 5.848975 5.912870 6.447974 4.706967 7.065039 4.930179 6.178531 5.516755 5.121189 5.093932 4.194892 5.356076 2.800962 5.022797 2.382006 4.785605 3.637263 0.000000 8.335458 7.252829 6.832672 5.129211 5.457589 7.404389 2.406356 5.466025 6.241196 6.604977 6.911517 4.891420 7.361200 5.846199 6.560427 6.608513 5.467471 6.350473 4.732869 5.319538 3.389466 5.680507 3.233870 5.569363 4.498805 1.390457 0.000000 6.617884 5.222248 5.389480 3.324436 5.032584 7.168793 2.402577 6.467182 5.232200 5.222531 6.029599 4.222173 6.321659 4.255593 6.077961 4.875201 5.524573 4.561315 4.763402 5.937317 3.465997 5.642290 3.226109 5.487366 4.416816 1.391081 2.427757 0.000000 8.783793 7.894884 7.705316 5.874497 5.910674 7.682259 3.675839 5.882631 6.044977 6.660343 6.963461 4.589786 6.933735 6.140412 6.819259 7.082945 6.151351 7.041673 5.688279 5.866665 4.395850 6.788084 4.479633 6.824445 5.807100 2.399619 1.394949 2.794706 0.000000 7.183523 6.092528 6.466830 4.396193 5.523642 7.457745 3.673146 6.819770 5.003411 5.300873 6.094802 3.873978 5.825533 4.660636 6.359951 5.510429 6.202812 5.491639 5.714191 6.430517 4.455363 6.756682 4.474144 6.758121 5.744045 2.399928 2.795106 1.394450 2.416351 0.000000 8.259875 7.390394 7.546867 5.571289 5.939733 7.705682 4.168439 6.548350 5.437706 6.049074 6.569525 4.073526 6.159139 5.610686 6.721716 6.597315 6.488994 6.672288 6.121332 6.396250 4.847641 7.263743 4.985270 7.341823 6.333170 2.771695 2.419752 2.419202 1.395462 1.395412 0.000000 2.868696 4.818459 5.065767 4.772804 3.890471 4.420627 7.247508 7.022345 2.206931 1.085164 2.189262 3.525829 2.688312 2.154655 3.466669 2.751898 5.291764 4.220424 5.844820 6.178463 5.896899 6.677409 6.762177 7.464170 7.507657 6.833582 7.584748 6.024417 7.594775 6.046473 6.869759 0.000000 4.287600 6.616211 6.125844 6.145499 3.275059 2.552758 7.923950 5.727161 2.224814 2.232996 1.082687 3.524848 2.664118 3.498939 2.115175 4.263431 4.503547 5.683300 5.611498 5.048551 6.001923 6.537713 7.198275 7.661497 7.957436 7.528288 7.970773 7.078823 7.970836 7.084686 7.539170 2.401028 0.000000 5.438491 5.906235 5.456274 4.308415 2.376067 3.935329 4.611027 4.119455 2.195666 2.836339 2.858596 1.087434 3.497035 2.823027 2.902193 4.064292 3.386874 4.788254 3.758185 3.584026 3.231747 5.085928 4.304431 5.824007 5.510344 3.881433 4.134812 3.608611 4.106538 3.580295 3.835730 3.877154 3.880847 0.000000 5.969550 6.342320 6.466403 5.013008 3.981286 5.220910 5.532419 5.682092 2.144923 3.092838 3.527567 1.093647 2.776043 3.387264 4.181422 4.679754 5.130040 5.499477 5.446347 5.285775 4.751434 6.728158 5.579000 7.332757 6.843947 4.500757 4.704993 3.779109 4.208249 3.146654 3.403774 3.838597 4.348664 1.766138 0.000000 6.540543 7.418773 7.083005 5.993684 3.522886 4.178297 6.166284 4.472451 2.147903 3.497861 3.104901 1.093892 2.762428 4.109952 3.427402 5.426589 4.516030 6.372675 5.237765 4.292399 4.827868 6.599799 5.949803 7.456343 7.187656 5.248986 5.154993 4.942085 4.703721 4.472053 4.337677 4.339588 3.810373 1.760668 1.768159 0.000000 6.451419 8.061226 8.044007 7.255790 4.859932 4.661787 8.345973 6.422331 2.159542 3.455595 3.028301 2.790310 1.094195 4.739503 4.100086 5.924391 6.116973 7.232448 7.071290 6.143384 6.920867 8.305436 8.053912 9.273299 9.169878 7.474744 7.579831 6.860060 7.053359 6.278884 6.380414 3.682331 3.009788 3.792041 3.141422 2.572382 0.000000 5.894355 7.099534 7.526490 6.480963 5.214082 5.629569 7.891742 7.320649 2.153153 3.056710 3.472210 2.777161 1.094717 4.141238 4.761791 5.266428 6.596295 6.492867 7.239782 6.882285 6.875304 8.423895 7.791292 9.189445 8.914342 6.966315 7.273510 6.070503 6.718181 5.401118 5.767049 3.090233 3.681048 3.790512 2.572655 3.103444 1.771738 0.000000 5.215075 7.142871 7.339817 6.803641 4.951614 4.779671 8.620006 7.286596 2.176247 2.699146 2.700336 3.486176 1.092874 4.126731 4.121417 5.063353 6.344089 6.493940 7.221656 6.754220 7.197101 8.288204 8.246533 9.221560 9.209603 7.907060 8.305239 7.126143 7.953032 6.720123 7.164185 2.410743 2.407910 4.346822 3.775056 3.771305 1.772267 1.771415 0.000000 3.694006 3.689188 3.576310 2.338914 2.716161 4.652018 4.199952 5.598435 2.830932 2.209402 3.174657 2.727170 4.172154 1.082779 3.456234 2.056765 3.800287 2.654577 3.658250 4.714914 3.198651 4.599954 3.842847 5.073504 4.756587 3.861644 4.778742 3.206990 5.098621 3.675696 4.619296 3.051025 4.170065 2.226351 2.893257 3.765710 4.934828 4.313363 4.667212 0.000000 5.401540 6.501906 4.722155 5.299145 2.087193 2.539524 5.813765 3.144285 5.058978 4.770998 4.012127 5.078777 6.418824 4.493485 2.616533 4.765963 1.091743 5.184234 2.163606 2.088153 3.413809 2.625914 4.562702 4.018164 4.810769 6.129537 6.524036 6.513383 7.240744 7.232059 7.567778 5.593263 4.603361 4.326841 6.020081 5.339296 6.634611 7.210425 6.707823 4.530314 0.000000 6.065587 5.754597 4.796066 3.705647 2.680665 4.737552 2.703453 3.559725 4.383090 4.490165 4.538660 3.421178 5.798965 3.752262 3.910245 4.498295 2.685840 4.532240 2.151886 2.937538 1.081375 3.401658 2.152959 3.868345 3.403617 2.495829 2.854029 3.034555 3.603495 3.748202 3.991173 5.545484 5.595360 2.343720 3.825470 3.863389 6.101086 6.080077 6.556855 2.893119 3.746131 0.000000 5.854404 6.064029 3.955269 4.938144 3.789584 4.860648 5.252416 4.707874 6.781993 6.174701 5.894574 6.671117 8.251056 5.363446 4.712446 5.159364 2.736535 4.891275 2.153077 3.751608 3.407964 1.083707 3.875876 2.161179 3.405211 6.083258 6.704909 6.655440 7.770789 7.728810 8.231686 6.939919 6.578991 5.731673 7.406691 7.131553 8.639618 8.886798 8.542804 5.266117 2.382358 4.295670 0.000000 6.811186 5.844721 3.979528 4.718771 5.524590 7.102262 4.499933 6.430798 8.221424 7.504609 7.646657 7.901113 9.731268 6.319952 6.690218 5.892321 4.674120 4.984153 3.386437 5.587251 3.870969 2.152785 3.388444 1.083985 2.141229 5.738202 6.541704 6.426920 7.832596 7.737457 8.360120 8.248023 8.468985 6.873264 8.371286 8.506324 10.247384 10.152717 10.106904 5.995193 4.703324 4.952314 2.487562 0.000000 7.311387 5.551741 4.415578 3.973096 5.914765 7.950538 2.555729 6.808357 8.052913 7.499874 7.944699 7.410268 9.517182 6.166988 7.246126 5.949521 5.378828 4.843539 3.866020 6.096547 3.393638 3.411771 2.145771 2.160880 1.083689 3.945843 4.840968 4.718231 6.183708 6.088242 6.713540 8.307344 8.931759 6.381222 7.581559 8.068040 10.065152 9.690292 10.074042 5.500848 5.878538 4.288910 4.310557 2.485971 0.000000 8.961781 7.906237 7.242778 5.744315 5.792771 7.652997 2.624516 5.250782 6.962813 7.328361 7.480756 5.617925 8.136884 6.560165 6.935545 7.266014 5.531867 6.942980 4.737173 5.227942 3.508203 5.570590 3.285395 5.410308 4.390183 2.143227 1.083776 3.401084 2.167994 3.878666 3.410788 8.348498 8.530582 4.786043 5.575089 5.774195 8.285790 8.142453 9.074561 5.523775 6.540687 3.156921 6.568370 6.329324 4.702780 0.000000 5.924866 4.228073 4.626576 2.474070 5.076067 7.253826 2.618195 6.979128 5.304433 4.994407 5.993635 4.567139 6.418990 3.841783 6.118696 4.213600 5.637397 3.717878 4.796410 6.298064 3.642450 5.506681 3.274630 5.264080 4.243101 2.143273 3.400241 1.082744 3.877250 2.166203 3.409042 5.686060 7.014432 3.971087 4.155679 5.441301 7.099887 6.168966 7.095901 2.902237 6.528499 3.445934 6.484421 6.121626 4.478051 4.280111 0.000000 9.711503 8.951987 8.679793 6.914840 6.547800 8.135723 4.550748 6.000607 6.657452 7.430359 7.577498 5.151984 7.446863 7.037197 7.377427 8.038877 6.699362 8.059615 6.348606 6.188469 5.134053 7.469705 5.292350 7.559626 6.589844 3.382589 2.148124 3.879007 1.084304 3.400192 2.154950 8.378750 8.542098 4.750652 4.822942 5.045211 7.417949 7.251251 8.504251 6.025291 7.778940 4.318952 8.415452 8.562138 6.972963 2.496354 4.961523 0.000000 6.991567 5.941520 6.642960 4.562151 5.917979 7.757189 4.546788 7.563319 4.886052 5.128958 6.104672 3.972831 5.507091 4.594266 6.609447 5.423358 6.784744 5.514594 6.390998 7.117038 5.225433 7.419826 5.284478 7.453446 6.491066 3.382933 3.879417 2.147668 3.400261 1.084318 2.155000 5.714582 7.018958 3.922819 3.063605 4.657476 6.056848 4.920210 6.337980 3.756051 7.766089 4.533860 8.347463 8.407323 6.821835 4.962948 2.494549 4.298139 0.000000 8.856029 8.150410 8.428986 6.453508 6.594011 8.174361 5.252602 7.121775 5.648540 6.432954 6.922747 4.310029 6.115503 6.200508 7.215799 7.266806 7.243629 7.480107 7.028774 7.059970 5.812834 8.227485 6.043872 8.378271 7.402505 3.855863 3.401323 3.400879 2.153235 2.153372 1.084171 7.179156 7.813103 4.328400 3.515330 4.421912 6.239064 5.607241 7.147919 5.293039 8.314060 4.887694 9.162140 9.408402 7.796875 4.308878 4.307232 2.482723 2.483091 0.000000 C23H19ClF3NO3 C1 1 C1 1 C1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 430.6992095999997 AuxInfo=1/0/N:9;10;11;12;13;14;15;16;17;18;19;20;21;22;23;24;25;26;27;28;29;30;31;1;2;3;4;8;5;6;7;32;33;34;35;36;37;38;39;40;41;42;43;44;45;46;47;48;49;50/rA:50nCl0F0F0F0O0O0O0N0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:3.8043,1.5294,-.9997;1.5876,3.1291,-2.3542;1.3013,3.1758,-.2023;-.0677,2.0451,-1.4556;.9119,-.8022,1.4845;2.3948,-1.9086,2.7689;-3.3092,1.3175,-.3871;-1.1266,-2.2063,3.8152;1.8409,-2.6778,-.7695;2.4355,-1.3079,-.9478;2.6059,-2.0459,.4018;.3387,-2.8762,-.7017;2.5616,-3.8261,-1.4531;1.6146,-.0889,-1.0762;1.9878,-1.6035,1.6662;2.0975,1.1502,-1.1427;.2314,-.2845,2.6512;1.2297,2.3671,-1.2896;-.6889,.813,2.1611;-.5175,-1.3717,3.3054;-1.5952,.513,1.1412;-.6039,2.0975,2.6876;-2.4103,1.5196,.6383;-1.4456,3.0934,2.1834;-2.3449,2.8138,1.1627;-3.3125,.0763,-1.0281;-4.1473,-.9317,-.5584;-2.5045,-.1087,-2.1452;-4.1647,-2.1585,-1.222;-2.5305,-1.3385,-2.8019;-3.3556,-2.3648,-2.3401;3.3723,-1.2632,-1.4937;3.594,-2.4504,.5815;-.1898,-2.0727,-.1941;-.0632,-2.9612,-1.7152;.114,-3.8069,-.1726;2.3831,-4.763,-.9168;2.1894,-3.9439,-2.4758;3.6406,-3.659,-1.5007;.5383,-.1912,-1.1356;.9615,.1011,3.3655;-1.6443,-.49,.7398;.1095,2.3234,3.4715;-1.3876,4.0998,2.5821;-2.9904,3.5822,.7536;-4.7616,-.7522,.3162;-1.8709,.7005,-2.486;-4.8102,-2.9522,-.8626;-1.905,-1.4927,-3.6741;-3.3704,-3.3208,-2.8514; 0.1519041 0.1288752 0.1159066 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= 804 RedAO= T EigKep= 1.29D-06 NBF= 804 NBsUse= 800 1.00D-06 EigRej= 9.40D-07 NBFU= 800 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= 829 829 829 829 829 MxSgAt= 50 MxSgA2= 50. 1 Closed 1 1 1 -1928.50148702750 -1928.50148703 1 1.921695283195e+03 -1.142400671435e+04 4.125530008712e+03 Using DIIS extrapolation, IDIIS= 1040. NGot= 1415577600 LenX= 1414167521 LenY= 1413469461 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 4.6444 266.95 0.0538 0.000 116 117 0.59201 116 118 -0.34593 -1928.33080852 2 Singlet-A 4.7293 262.16 0.0319 0.000 116 117 0.37869 116 118 0.57935 3 Singlet-A 5.1067 242.79 0.0067 0.000 114 120 0.12300 115 117 -0.41700 115 118 0.47840 115 119 -0.15276 116 120 -0.14839 4 Singlet-A 5.1948 238.67 0.0079 0.000 114 117 -0.18072 115 117 0.52785 115 118 0.27825 115 119 -0.12254 116 119 0.13986 116 120 -0.21347 5 Singlet-A 5.2391 236.65 0.0423 0.000 111 117 0.17395 113 117 0.18168 114 117 0.49529 116 119 0.28316 116 120 -0.22555 6 Singlet-A 5.2502 236.15 0.0318 0.000 113 117 0.11679 114 117 0.25389 115 117 0.19340 115 118 0.30934 116 119 -0.35270 116 120 0.35995 7 Singlet-A 5.2986 233.99 0.0185 0.000 116 119 0.50169 116 120 0.45027 8 Singlet-A 5.4088 229.22 0.1098 0.000 111 117 0.15674 112 117 0.14191 113 117 0.55782 114 117 -0.29437 116 121 -0.10510 9 Singlet-A 5.4142 229.00 0.0080 0.000 112 117 -0.10194 112 118 -0.10370 113 117 -0.16077 114 118 0.55735 115 119 0.17111 116 121 -0.24440 116 122 0.12731 10 Singlet-A 5.4418 227.84 0.0073 0.000 112 118 0.13669 112 120 -0.12345 113 118 -0.16858 113 120 0.16393 114 118 -0.10941 114 119 0.11305 114 120 -0.22305 115 118 0.25307 115 119 0.40705 115 120 0.15865 116 120 -0.15787 116 121 0.14176 PT88224.500S 2024-10-10T13:09:13.000 -101.57462 -24.72975 -24.72438 -24.72346 -19.19287 -19.17172 -19.13176 -14.33433 -10.44864 -10.32568 -10.29230 -10.25914 -10.24993 -10.24096 -10.23320 -10.21523 -10.21223 -10.20705 -10.20633 -10.20567 -10.18567 -10.18458 -10.18332 -10.18321 -10.18290 -10.18216 -10.18209 -10.18194 -10.17935 -10.16375 -10.16271 -9.48912 -7.25383 -7.24389 -7.24353 -1.33252 -1.24666 -1.24050 -1.13465 -1.08925 -1.04523 -0.93460 -0.91251 -0.89341 -0.88035 -0.86467 -0.81715 -0.79797 -0.77139 -0.75956 -0.75511 -0.74950 -0.73839 -0.72708 -0.69736 -0.67875 -0.64957 -0.64354 -0.62432 -0.62298 -0.61505 -0.61074 -0.60830 -0.59152 -0.56302 -0.55935 -0.55244 -0.54925 -0.51891 -0.51061 -0.50625 -0.49614 -0.49006 -0.48771 -0.48390 -0.48170 -0.47884 -0.46921 -0.46069 -0.45404 -0.45335 -0.44990 -0.44675 -0.44326 -0.44012 -0.43208 -0.42902 -0.42530 -0.42290 -0.41626 -0.40869 -0.40256 -0.39615 -0.39489 -0.38924 -0.38551 -0.38348 -0.37952 -0.37490 -0.37292 -0.36793 -0.36203 -0.35694 -0.35246 -0.34806 -0.33860 -0.33804 -0.33768 -0.33060 -0.30960 -0.29095 -0.27171 -0.26905 -0.26543 -0.25860 -0.24276 -0.04988 -0.04469 -0.02288 -0.02094 -0.01773 -0.01695 -0.00657 0.00170 0.00299 0.00953 0.01567 0.01623 0.01984 0.02662 0.03108 0.03249 0.03471 0.03729 0.04385 0.04860 0.04998 0.05063 0.05499 0.05911 0.06003 0.06561 0.06959 0.07006 0.07501 0.07820 0.07990 0.08324 0.08737 0.08903 0.09300 0.09884 0.09948 0.10132 0.10340 0.10620 0.10923 0.11348 0.11475 0.11894 0.12048 0.12169 0.12349 0.12820 0.12935 0.13411 0.13496 0.13745 0.13901 0.14022 0.14200 0.14346 0.14715 0.15192 0.15543 0.15724 0.15783 0.16046 0.16275 0.16455 0.16529 0.16980 0.17392 0.17527 0.17740 0.18033 0.18206 0.18385 0.18667 0.18794 0.18999 0.19248 0.19705 0.19826 0.20131 0.20143 0.20431 0.20655 0.20952 0.21061 0.21184 0.21325 0.21606 0.21651 0.21874 0.22089 0.22477 0.22773 0.22857 0.22953 0.23120 0.23387 0.23543 0.23630 0.24123 0.24369 0.24398 0.24606 0.24749 0.25126 0.25197 0.25470 0.25552 0.25871 0.26164 0.26184 0.26440 0.26706 0.26777 0.26921 0.27237 0.27429 0.27923 0.28049 0.28295 0.28515 0.28928 0.29144 0.29422 0.29690 0.29856 0.30003 0.30648 0.30929 0.31202 0.31388 0.31870 0.32237 0.32345 0.32476 0.33067 0.33436 0.33518 0.33820 0.34225 0.34603 0.34648 0.35086 0.35196 0.35440 0.35889 0.36346 0.36706 0.37149 0.37376 0.37672 0.37996 0.38435 0.38706 0.39085 0.39329 0.39553 0.40164 0.40606 0.40820 0.40972 0.41719 0.42078 0.42600 0.43622 0.43705 0.44146 0.44209 0.45271 0.45528 0.46087 0.46515 0.46954 0.47566 0.48220 0.48636 0.49283 0.49796 0.50409 0.50522 0.51102 0.51587 0.52200 0.53108 0.53866 0.54307 0.55154 0.55447 0.55881 0.56245 0.56533 0.57160 0.57333 0.57894 0.58197 0.58618 0.58976 0.59578 0.60292 0.60453 0.61128 0.61750 0.62012 0.62253 0.62801 0.63323 0.63771 0.63836 0.64815 0.65346 0.65441 0.65524 0.65773 0.66769 0.66881 0.67304 0.67688 0.67948 0.68447 0.68774 0.68891 0.69047 0.69655 0.70196 0.70353 0.70711 0.70749 0.71405 0.71522 0.71718 0.72238 0.72633 0.73252 0.73705 0.74175 0.74403 0.74894 0.75166 0.75523 0.76002 0.76682 0.76973 0.77423 0.77983 0.78155 0.78532 0.78826 0.79249 0.79903 0.80163 0.81024 0.81197 0.81564 0.82255 0.82811 0.83208 0.83640 0.83930 0.84618 0.84845 0.85460 0.85778 0.86389 0.86951 0.87773 0.87902 0.88483 0.88987 0.89616 0.90367 0.91345 0.91668 0.91804 0.91974 0.92339 0.94002 0.94460 0.95375 0.95874 0.96613 0.96806 0.97589 0.99035 0.99237 0.99589 1.00442 1.01114 1.01747 1.02146 1.02651 1.03656 1.03852 1.04175 1.04847 1.06184 1.06208 1.07100 1.07597 1.07922 1.08440 1.09073 1.10421 1.10741 1.11271 1.12070 1.12828 1.14234 1.14601 1.15601 1.16304 1.17575 1.18103 1.18503 1.19432 1.20448 1.21065 1.21699 1.23532 1.23673 1.25283 1.25849 1.26110 1.27666 1.29143 1.30072 1.31426 1.31508 1.32140 1.33895 1.34821 1.36643 1.37320 1.37536 1.38239 1.38533 1.39966 1.40644 1.40993 1.42788 1.43259 1.44285 1.44562 1.45234 1.46480 1.47331 1.47660 1.47901 1.48620 1.49295 1.49779 1.51004 1.51683 1.52197 1.52353 1.52484 1.53259 1.53841 1.54365 1.55138 1.55186 1.55826 1.56586 1.56958 1.57498 1.57781 1.58276 1.58616 1.58993 1.59855 1.60134 1.60697 1.61340 1.61923 1.62142 1.63808 1.64889 1.65328 1.65590 1.66147 1.66780 1.67307 1.67720 1.68066 1.68172 1.68932 1.69533 1.70493 1.70853 1.71518 1.72551 1.73444 1.73643 1.75219 1.75652 1.75840 1.76382 1.76955 1.77771 1.78914 1.79178 1.79748 1.80883 1.81432 1.81849 1.82640 1.83781 1.84251 1.85257 1.85802 1.87249 1.87602 1.88421 1.89051 1.89680 1.90373 1.90845 1.92361 1.92427 1.93131 1.93555 1.93912 1.94316 1.95277 1.96165 1.96600 1.97358 1.97897 1.98622 1.99318 1.99791 2.00739 2.00907 2.01813 2.02517 2.03086 2.03532 2.04337 2.04902 2.05609 2.06462 2.07811 2.08380 2.08631 2.10006 2.10337 2.10964 2.11680 2.11745 2.12417 2.13200 2.14513 2.14944 2.16665 2.18225 2.19530 2.19729 2.21508 2.23101 2.23449 2.24194 2.26208 2.27104 2.28908 2.29405 2.29966 2.32432 2.33492 2.34190 2.35344 2.36419 2.39169 2.41264 2.41822 2.42149 2.43062 2.44387 2.45058 2.46330 2.46636 2.48188 2.48475 2.49601 2.50791 2.51007 2.52462 2.53185 2.55187 2.56145 2.57889 2.58470 2.61524 2.62011 2.62857 2.65107 2.65701 2.66093 2.66525 2.67821 2.69187 2.71686 2.71746 2.72663 2.73447 2.74480 2.75064 2.75442 2.76406 2.76910 2.77104 2.77681 2.78094 2.78936 2.79085 2.79929 2.80029 2.80202 2.81250 2.81701 2.82342 2.82549 2.83337 2.84337 2.84602 2.85296 2.85397 2.87559 2.88304 2.89078 2.89402 2.89982 2.90334 2.90778 2.92202 2.93085 2.93673 2.94163 2.95224 2.95598 2.96754 2.97920 2.98185 2.98495 2.99782 3.01213 3.02773 3.03436 3.04666 3.06921 3.07878 3.09086 3.11132 3.11675 3.12279 3.13218 3.13832 3.15065 3.16335 3.16962 3.18333 3.19420 3.20198 3.22206 3.22985 3.25218 3.26820 3.29074 3.33389 3.33781 3.35259 3.35861 3.37812 3.38235 3.40578 3.43182 3.44458 3.45043 3.53307 3.54318 3.55096 3.55809 3.58231 3.60175 3.63490 3.63876 3.66609 3.67857 3.69864 3.70618 3.71691 3.73826 3.73951 3.74347 3.76330 3.77219 3.78364 3.79603 3.80955 3.82584 3.84738 3.86073 3.88946 3.90331 3.91955 3.95084 3.98902 4.00858 4.01547 4.02383 4.03377 4.03599 4.09885 4.10094 4.11303 4.13564 4.15195 4.15680 4.15892 4.17256 4.18482 4.19496 4.19887 4.26695 4.30894 4.37446 4.55470 4.57591 4.65568 4.70732 4.83806 4.85694 4.92379 4.96697 5.10459 5.14190 5.17252 5.23770 5.45461 5.47092 5.65087 5.88056 5.89147 6.32934 6.37838 6.38893 6.41289 6.43596 6.46903 6.50115 6.73334 6.81508 9.81469 23.52131 23.61867 23.64103 23.67762 23.79299 23.80752 23.87521 23.88517 23.94836 23.95702 23.96412 23.97732 23.98603 24.00300 24.02304 24.07700 24.07954 24.09205 24.09872 24.18387 24.19472 24.22051 24.34925 25.92319 26.21532 26.72440 35.87552 49.94134 49.99106 50.01551 66.75836 66.78209 66.83061 215.81477 1-A. Mulliken charges: 1 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 50 Cl F F 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 C H H H H H H H H H H H H H H H H H H H 0.468225 -0.071262 -0.036041 -0.053054 0.152121 -0.295151 -0.072456 -0.309408 -0.132380 -0.064027 -0.209958 -0.785036 -0.160748 -0.098268 -0.088724 -0.045057 0.264259 -0.149435 0.624935 -0.382370 -0.065180 -0.514847 -0.529383 -0.034626 -0.016936 -0.205962 -0.177868 0.063621 -0.145034 -0.118153 -0.188633 0.206936 0.208482 0.130688 0.176199 0.173388 0.172724 0.168218 0.160040 0.197174 0.250312 0.218614 0.155800 0.166766 0.161953 0.163368 0.178129 0.165197 0.163694 0.159155 0.00000 0.8026 -1.4591 -4.9731 5.2445 -189.5996 -186.1706 -202.1603 -4.7819 -2.3517 35.2794 3.0439 6.4729 -9.5168 -4.7819 -2.3517 35.2794 57.5449 46.3928 -111.5217 -10.2941 -25.6017 -25.8602 26.2407 90.4404 -47.3992 5.3761 -6357.4802 -4647.2850 -4185.4646 128.9066 -187.9695 -64.2767 216.1631 66.3741 327.6891 -1781.5508 -1922.0928 -1585.9987 105.0969 21.4277 16.7055 (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A) (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(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-HAMILTON27 APULGAR 2024-10-10T00:00:00.000 0 Electronic spectrum CONF101 octanol 0 1 Version=EM64L-G16RevC.01 State=1-A HF=-1928.501487 RMSD=3.636e-09 PG=C01 [X(C23H19Cl1F3N1O3)] 0 -1.3015418155 2.2383065688 3.3941901736 0 -2.1173578743 -0.6981059812 3.5325647842 0 0.0448491341 -0.554388163 3.3955417322 0 -1.1020382235 -1.3106282036 1.7114202132 0 1.3221112786 1.5742794699 -0.1624082208 0 2.2354577795 3.6292785336 -0.2887713331 0 0.3613470608 -3.3876980575 -0.6807395626 0 3.7670573906 1.0871966574 -2.4741258905 0 -1.2401115425 2.9205888826 -1.2035551782 0 -1.3548445821 2.6421435836 0.269928093 0 -0.1367235276 3.4316632373 -0.2667807118 0 -0.9664109206 1.8032556332 -2.1921490134 0 -2.1480596287 4.0006602829 -1.7641500877 0 -1.2213453163 1.2890782208 0.8422974369 0 1.2481723604 2.9234426581 -0.2461207965 0 -1.2235326978 1.0098467054 2.1442163673 0 2.6287846333 0.9560568955 -0.1119731923 0 -1.101254049 -0.3842452839 2.6893410949 0 2.4088886272 -0.4817657715 0.3075178964 0 3.2655610069 1.0453464532 -1.4377243971 0 1.5122175892 -1.2585964023 -0.4302340102 0 3.054716156 -1.001238697 1.4243472062 0 1.2536498607 -2.5634232838 -0.0290913893 0 2.7976889783 -2.3226185549 1.8019837839 0 1.9014665231 -3.1047609724 1.0851764543 0 -0.4045906602 -2.8457064249 -1.7156574872 0 0.0727686797 -2.904214278 -3.0202940985 0 -1.6453421056 -2.2914760635 -1.4182172762 0 -0.7116716037 -2.3856790457 -4.0506620737 0 -2.4219939084 -1.7771662984 -2.4559012776 0 -1.9558998232 -1.8193615898 -3.7704925122 0 -2.0288540982 3.2866180205 0.8248564426 0 -0.1555288129 4.4954714681 -0.0663555877 0 -0.2987018885 1.0330505197 -1.8133866722 0 -1.9099509793 1.3274942668 -2.4740109356 0 -0.5151262557 2.2165431078 -3.0988656108 0 -1.6974956643 4.4567309807 -2.6508595738 0 -3.108789229 3.5652432553 -2.0570955098 0 -2.3408794675 4.7902006002 -1.0335200467 0 -1.1267901655 0.4468909331 0.1683613781 0 3.2615412304 1.4845622479 0.6037109656 0 1.014903187 -0.8368579323 -1.2928969463 0 3.7407215595 -0.3878071477 1.9966395623 0 3.2913937017 -2.7392692286 2.672432536 0 1.6828790295 -4.1247273929 1.3788948386 0 1.045209177 -3.3416383684 -3.2141746079 0 -1.9874357636 -2.2677260873 -0.3912108633 0 -0.3478545944 -2.4240749393 -5.0713858733 0 -3.3909809857 -1.3436510061 -2.234827487 0 -2.5612307187 -1.4153286499 -4.5740836991 Gaussian 16 10-Oct-2024 Gaussian 16 3-Jul-2019 EM64L-G16RevC.01 144 C1[X(C23H19ClF3NO3)] RB3LYP 6-311+G(3df,2p) SP #P B3LYP 6-311+G(3df,2p) EmpiricalDispersion=gd3 scrf=(smd,Solvent=n-Octanol) geom=check guess=read 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 430.6992095999997 AuxInfo=1/0/N:9;10;11;12;13;14;15;16;17;18;19;20;21;22;23;24;25;26;27;28;29;30;31;1;2;3;4;8;5;6;7;32;33;34;35;36;37;38;39;40;41;42;43;44;45;46;47;48;49;50/rA:50nCl0F0F0F0O0O0O0N0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:-1.3015,2.2383,3.3942;-2.1174,-.6981,3.5326;.0448,-.5544,3.3955;-1.102,-1.3106,1.7114;1.3221,1.5743,-.1624;2.2355,3.6293,-.2888;.3613,-3.3877,-.6807;3.7671,1.0872,-2.4741;-1.2401,2.9206,-1.2036;-1.3548,2.6421,.2699;-.1367,3.4317,-.2668;-.9664,1.8033,-2.1921;-2.1481,4.0007,-1.7642;-1.2213,1.2891,.8423;1.2482,2.9234,-.2461;-1.2235,1.0098,2.1442;2.6288,.9561,-.112;-1.1013,-.3842,2.6893;2.4089,-.4818,.3075;3.2656,1.0453,-1.4377;1.5122,-1.2586,-.4302;3.0547,-1.0012,1.4243;1.2536,-2.5634,-.0291;2.7977,-2.3226,1.802;1.9015,-3.1048,1.0852;-.4046,-2.8457,-1.7157;.0728,-2.9042,-3.0203;-1.6453,-2.2915,-1.4182;-.7117,-2.3857,-4.0507;-2.422,-1.7772,-2.4559;-1.9559,-1.8194,-3.7705;-2.0289,3.2866,.8249;-.1555,4.4955,-.0664;-.2987,1.0331,-1.8134;-1.91,1.3275,-2.474;-.5151,2.2165,-3.0989;-1.6975,4.4567,-2.6509;-3.1088,3.5652,-2.0571;-2.3409,4.7902,-1.0335;-1.1268,.4469,.1684;3.2615,1.4846,.6037;1.0149,-.8369,-1.2929;3.7407,-.3878,1.9966;3.2914,-2.7393,2.6724;1.6829,-4.1247,1.3789;1.0452,-3.3416,-3.2142;-1.9874,-2.2677,-.3912;-.3479,-2.4241,-5.0714;-3.391,-1.3437,-2.2348;-2.5612,-1.4153,-4.5741; oldchk=opt-b3lyp-pople.chk #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 CONF101 octanol Redundant internal coordinates found in file. (old form). 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 50 35 19 19 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 12 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 34.9688527 18.9984033 18.9984033 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 12.0000000 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 3 1 1 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 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 14.2400000 6.7500000 6.7500000 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 3.6000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 (Enter /usr/local/gaussian/gaussian16/g16/l101.exe) 6-311+G(3df,2p) (5D, 7F) 0.10000e-02 0.10000e-05 F 1574 A 1388 A 1388 2024 1574 116 116 3448.3425485165 50 50 50 1.00e+00 60 F IExCor= 402 DFT=T Ex+Corr=B3LYP ExCW=0 ScaHFX= 0.200000 ScaDFX= 0.800000 0.720000 1.000000 0.810000 ScalE2= 1.000000 1.000000 IRadAn= 5 IRanWt= -1 IRanGd= 0 ICorTp=0 IEmpDi=131 Grimme-D3 -0.0654463370 PCM SMD-Coulomb. Total charges None On-the-fly selection n-Octanol 9.862900 2.043470 0.000000 3.050774 0.000000 3.100309 2.171306 0.000000 3.932741 2.173160 2.173365 0.000000 4.469215 5.535929 4.338391 4.208376 0.000000 5.292388 7.230205 5.989657 6.288269 2.252374 0.000000 7.142981 5.579410 4.974323 3.489720 5.080645 7.273506 0.000000 7.839189 8.596161 7.141613 6.853937 3.399860 3.685614 5.902523 0.000000 4.648499 6.024562 5.905784 5.139975 3.075959 3.663148 6.529356 5.481552 0.000000 3.150705 4.731120 4.684700 4.214999 2.914334 3.765216 6.340984 6.015112 1.503944 0.000000 4.022886 5.950877 5.416104 5.228235 2.364100 2.380500 6.850046 5.060474 1.534995 1.547649 0.000000 5.613267 6.352467 6.148449 4.995250 3.067509 4.148394 5.567163 4.795620 1.516794 2.629912 2.654644 0.000000 5.516426 7.080575 7.223554 6.433004 4.527139 4.640031 7.877737 6.631813 1.518285 2.571426 2.571254 2.531415 0.000000 2.723898 3.462554 3.394212 2.743735 2.749535 4.324967 5.166894 5.993628 2.616810 1.475200 2.645209 3.088241 3.873635 0.000000 4.496923 6.222610 5.177355 5.223295 1.353778 1.214395 6.387946 3.831526 2.666129 2.668545 1.475348 3.153763 3.872880 3.155047 0.000000 1.754319 2.375613 2.370957 2.363615 3.481294 4.974482 5.461741 6.800078 3.854709 2.488894 3.585981 4.415844 5.007499 1.331528 3.935084 0.000000 5.420776 6.208444 4.610947 4.730926 1.446423 2.707781 4.932847 2.625381 4.474293 4.342584 3.714920 4.239140 5.900639 3.980582 2.407217 4.464710 0.000000 2.722996 1.357204 1.356916 1.347039 4.223860 6.009257 4.745248 7.247551 5.108410 3.882898 4.922411 5.350915 6.336938 2.495196 5.007748 1.501867 4.853551 0.000000 5.540184 5.561892 3.889711 3.870990 2.372601 4.157683 3.689651 3.470419 5.212923 4.891412 4.703710 4.781454 6.719355 4.074368 3.639948 4.335073 1.513823 4.243076 0.000000 6.754923 7.531216 6.024334 5.877385 2.383946 3.009636 5.353445 1.152119 4.885945 5.178222 4.317541 4.364994 6.176384 5.038872 3.002836 5.743128 1.473456 6.176202 2.472212 0.000000 5.896761 5.402938 4.157600 3.379900 2.851851 4.943117 2.433173 3.842466 5.063490 4.891426 4.974360 4.315424 6.544978 3.947448 4.194409 4.388389 2.500540 4.162508 1.397055 3.065518 0.000000 5.775112 5.593462 3.625546 4.178126 3.486116 5.004763 4.169031 4.479630 6.382174 5.835336 5.718026 6.092101 7.890145 4.885595 4.632190 4.781850 2.524422 4.387822 1.390774 3.524829 2.425903 0.000000 6.426855 5.246761 4.150365 3.185615 4.140416 6.275423 1.378506 5.061861 6.137801 5.830230 6.158790 5.354939 7.594027 4.661189 5.491159 4.860860 3.779498 4.205266 2.404409 4.365232 1.389369 2.792265 0.000000 6.335681 5.458172 3.639257 4.029913 4.606732 6.333438 3.637866 5.554424 7.268309 6.651285 6.782501 6.866177 8.784167 5.487986 5.840967 5.233801 3.800194 4.443698 2.402776 4.696573 2.787001 1.398112 2.407256 0.000000 6.643732 5.285135 3.910143 3.554171 4.877042 6.880884 2.360187 5.807028 7.170261 6.655457 6.979029 6.561571 8.660504 5.395995 6.207929 5.274200 4.295626 4.357853 2.782505 5.044717 2.419981 2.422773 1.397965 1.388803 0.000000 7.263763 5.923647 5.619296 3.819393 4.993031 7.136616 1.396950 5.783221 5.848975 5.912870 6.447974 4.706967 7.065039 4.930179 6.178531 5.516755 5.121189 5.093932 4.194892 5.356076 2.800962 5.022797 2.382006 4.785605 3.637263 0.000000 8.335458 7.252829 6.832672 5.129211 5.457589 7.404389 2.406356 5.466025 6.241196 6.604977 6.911517 4.891420 7.361200 5.846199 6.560427 6.608513 5.467471 6.350473 4.732869 5.319538 3.389466 5.680507 3.233870 5.569363 4.498805 1.390457 0.000000 6.617884 5.222248 5.389480 3.324436 5.032584 7.168793 2.402577 6.467182 5.232200 5.222531 6.029599 4.222173 6.321659 4.255593 6.077961 4.875201 5.524573 4.561315 4.763402 5.937317 3.465997 5.642290 3.226109 5.487366 4.416816 1.391081 2.427757 0.000000 8.783793 7.894884 7.705316 5.874497 5.910674 7.682259 3.675839 5.882631 6.044977 6.660343 6.963461 4.589786 6.933735 6.140412 6.819259 7.082945 6.151351 7.041673 5.688279 5.866665 4.395850 6.788084 4.479633 6.824445 5.807100 2.399619 1.394949 2.794706 0.000000 7.183523 6.092528 6.466830 4.396193 5.523642 7.457745 3.673146 6.819770 5.003411 5.300873 6.094802 3.873978 5.825533 4.660636 6.359951 5.510429 6.202812 5.491639 5.714191 6.430517 4.455363 6.756682 4.474144 6.758121 5.744045 2.399928 2.795106 1.394450 2.416351 0.000000 8.259875 7.390394 7.546867 5.571289 5.939733 7.705682 4.168439 6.548350 5.437706 6.049074 6.569525 4.073526 6.159139 5.610686 6.721716 6.597315 6.488994 6.672288 6.121332 6.396250 4.847641 7.263743 4.985270 7.341823 6.333170 2.771695 2.419752 2.419202 1.395462 1.395412 0.000000 2.868696 4.818459 5.065767 4.772804 3.890471 4.420627 7.247508 7.022345 2.206931 1.085164 2.189262 3.525829 2.688312 2.154655 3.466669 2.751898 5.291764 4.220424 5.844820 6.178463 5.896899 6.677409 6.762177 7.464170 7.507657 6.833582 7.584748 6.024417 7.594775 6.046473 6.869759 0.000000 4.287600 6.616211 6.125844 6.145499 3.275059 2.552758 7.923950 5.727161 2.224814 2.232996 1.082687 3.524848 2.664118 3.498939 2.115175 4.263431 4.503547 5.683300 5.611498 5.048551 6.001923 6.537713 7.198275 7.661497 7.957436 7.528288 7.970773 7.078823 7.970836 7.084686 7.539170 2.401028 0.000000 5.438491 5.906235 5.456274 4.308415 2.376067 3.935329 4.611027 4.119455 2.195666 2.836339 2.858596 1.087434 3.497035 2.823027 2.902193 4.064292 3.386874 4.788254 3.758185 3.584026 3.231747 5.085928 4.304431 5.824007 5.510344 3.881433 4.134812 3.608611 4.106538 3.580295 3.835730 3.877154 3.880847 0.000000 5.969550 6.342320 6.466403 5.013008 3.981286 5.220910 5.532419 5.682092 2.144923 3.092838 3.527567 1.093647 2.776043 3.387264 4.181422 4.679754 5.130040 5.499477 5.446347 5.285775 4.751434 6.728158 5.579000 7.332757 6.843947 4.500757 4.704993 3.779109 4.208249 3.146654 3.403774 3.838597 4.348664 1.766138 0.000000 6.540543 7.418773 7.083005 5.993684 3.522886 4.178297 6.166284 4.472451 2.147903 3.497861 3.104901 1.093892 2.762428 4.109952 3.427402 5.426589 4.516030 6.372675 5.237765 4.292399 4.827868 6.599799 5.949803 7.456343 7.187656 5.248986 5.154993 4.942085 4.703721 4.472053 4.337677 4.339588 3.810373 1.760668 1.768159 0.000000 6.451419 8.061226 8.044007 7.255790 4.859932 4.661787 8.345973 6.422331 2.159542 3.455595 3.028301 2.790310 1.094195 4.739503 4.100086 5.924391 6.116973 7.232448 7.071290 6.143384 6.920867 8.305436 8.053912 9.273299 9.169878 7.474744 7.579831 6.860060 7.053359 6.278884 6.380414 3.682331 3.009788 3.792041 3.141422 2.572382 0.000000 5.894355 7.099534 7.526490 6.480963 5.214082 5.629569 7.891742 7.320649 2.153153 3.056710 3.472210 2.777161 1.094717 4.141238 4.761791 5.266428 6.596295 6.492867 7.239782 6.882285 6.875304 8.423895 7.791292 9.189445 8.914342 6.966315 7.273510 6.070503 6.718181 5.401118 5.767049 3.090233 3.681048 3.790512 2.572655 3.103444 1.771738 0.000000 5.215075 7.142871 7.339817 6.803641 4.951614 4.779671 8.620006 7.286596 2.176247 2.699146 2.700336 3.486176 1.092874 4.126731 4.121417 5.063353 6.344089 6.493940 7.221656 6.754220 7.197101 8.288204 8.246533 9.221560 9.209603 7.907060 8.305239 7.126143 7.953032 6.720123 7.164185 2.410743 2.407910 4.346822 3.775056 3.771305 1.772267 1.771415 0.000000 3.694006 3.689188 3.576310 2.338914 2.716161 4.652018 4.199952 5.598435 2.830932 2.209402 3.174657 2.727170 4.172154 1.082779 3.456234 2.056765 3.800287 2.654577 3.658250 4.714914 3.198651 4.599954 3.842847 5.073504 4.756587 3.861644 4.778742 3.206990 5.098621 3.675696 4.619296 3.051025 4.170065 2.226351 2.893257 3.765710 4.934828 4.313363 4.667212 0.000000 5.401540 6.501906 4.722155 5.299145 2.087193 2.539524 5.813765 3.144285 5.058978 4.770998 4.012127 5.078777 6.418824 4.493485 2.616533 4.765963 1.091743 5.184234 2.163606 2.088153 3.413809 2.625914 4.562702 4.018164 4.810769 6.129537 6.524036 6.513383 7.240744 7.232059 7.567778 5.593263 4.603361 4.326841 6.020081 5.339296 6.634611 7.210425 6.707823 4.530314 0.000000 6.065587 5.754597 4.796066 3.705647 2.680665 4.737552 2.703453 3.559725 4.383090 4.490165 4.538660 3.421178 5.798965 3.752262 3.910245 4.498295 2.685840 4.532240 2.151886 2.937538 1.081375 3.401658 2.152959 3.868345 3.403617 2.495829 2.854029 3.034555 3.603495 3.748202 3.991173 5.545484 5.595360 2.343720 3.825470 3.863389 6.101086 6.080077 6.556855 2.893119 3.746131 0.000000 5.854404 6.064029 3.955269 4.938144 3.789584 4.860648 5.252416 4.707874 6.781993 6.174701 5.894574 6.671117 8.251056 5.363446 4.712446 5.159364 2.736535 4.891275 2.153077 3.751608 3.407964 1.083707 3.875876 2.161179 3.405211 6.083258 6.704909 6.655440 7.770789 7.728810 8.231686 6.939919 6.578991 5.731673 7.406691 7.131553 8.639618 8.886798 8.542804 5.266117 2.382358 4.295670 0.000000 6.811186 5.844721 3.979528 4.718771 5.524590 7.102262 4.499933 6.430798 8.221424 7.504609 7.646657 7.901113 9.731268 6.319952 6.690218 5.892321 4.674120 4.984153 3.386437 5.587251 3.870969 2.152785 3.388444 1.083985 2.141229 5.738202 6.541704 6.426920 7.832596 7.737457 8.360120 8.248023 8.468985 6.873264 8.371286 8.506324 10.247384 10.152717 10.106904 5.995193 4.703324 4.952314 2.487562 0.000000 7.311387 5.551741 4.415578 3.973096 5.914765 7.950538 2.555729 6.808357 8.052913 7.499874 7.944699 7.410268 9.517182 6.166988 7.246126 5.949521 5.378828 4.843539 3.866020 6.096547 3.393638 3.411771 2.145771 2.160880 1.083689 3.945843 4.840968 4.718231 6.183708 6.088242 6.713540 8.307344 8.931759 6.381222 7.581559 8.068040 10.065152 9.690292 10.074042 5.500848 5.878538 4.288910 4.310557 2.485971 0.000000 8.961781 7.906237 7.242778 5.744315 5.792771 7.652997 2.624516 5.250782 6.962813 7.328361 7.480756 5.617925 8.136884 6.560165 6.935545 7.266014 5.531867 6.942980 4.737173 5.227942 3.508203 5.570590 3.285395 5.410308 4.390183 2.143227 1.083776 3.401084 2.167994 3.878666 3.410788 8.348498 8.530582 4.786043 5.575089 5.774195 8.285790 8.142453 9.074561 5.523775 6.540687 3.156921 6.568370 6.329324 4.702780 0.000000 5.924866 4.228073 4.626576 2.474070 5.076067 7.253826 2.618195 6.979128 5.304433 4.994407 5.993635 4.567139 6.418990 3.841783 6.118696 4.213600 5.637397 3.717878 4.796410 6.298064 3.642450 5.506681 3.274630 5.264080 4.243101 2.143273 3.400241 1.082744 3.877250 2.166203 3.409042 5.686060 7.014432 3.971087 4.155679 5.441301 7.099887 6.168966 7.095901 2.902237 6.528499 3.445934 6.484421 6.121626 4.478051 4.280111 0.000000 9.711503 8.951987 8.679793 6.914840 6.547800 8.135723 4.550748 6.000607 6.657452 7.430359 7.577498 5.151984 7.446863 7.037197 7.377427 8.038877 6.699362 8.059615 6.348606 6.188469 5.134053 7.469705 5.292350 7.559626 6.589844 3.382589 2.148124 3.879007 1.084304 3.400192 2.154950 8.378750 8.542098 4.750652 4.822942 5.045211 7.417949 7.251251 8.504251 6.025291 7.778940 4.318952 8.415452 8.562138 6.972963 2.496354 4.961523 0.000000 6.991567 5.941520 6.642960 4.562151 5.917979 7.757189 4.546788 7.563319 4.886052 5.128958 6.104672 3.972831 5.507091 4.594266 6.609447 5.423358 6.784744 5.514594 6.390998 7.117038 5.225433 7.419826 5.284478 7.453446 6.491066 3.382933 3.879417 2.147668 3.400261 1.084318 2.155000 5.714582 7.018958 3.922819 3.063605 4.657476 6.056848 4.920210 6.337980 3.756051 7.766089 4.533860 8.347463 8.407323 6.821835 4.962948 2.494549 4.298139 0.000000 8.856029 8.150410 8.428986 6.453508 6.594011 8.174361 5.252602 7.121775 5.648540 6.432954 6.922747 4.310029 6.115503 6.200508 7.215799 7.266806 7.243629 7.480107 7.028774 7.059970 5.812834 8.227485 6.043872 8.378271 7.402505 3.855863 3.401323 3.400879 2.153235 2.153372 1.084171 7.179156 7.813103 4.328400 3.515330 4.421912 6.239064 5.607241 7.147919 5.293039 8.314060 4.887694 9.162140 9.408402 7.796875 4.308878 4.307232 2.482723 2.483091 0.000000 C23H19ClF3NO3 C1 1 C1 1 C1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 430.6992095999997 AuxInfo=1/0/N:9;10;11;12;13;14;15;16;17;18;19;20;21;22;23;24;25;26;27;28;29;30;31;1;2;3;4;8;5;6;7;32;33;34;35;36;37;38;39;40;41;42;43;44;45;46;47;48;49;50/rA:50nCl0F0F0F0O0O0O0N0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:3.8043,1.5294,-.9997;1.5876,3.1291,-2.3542;1.3013,3.1758,-.2023;-.0677,2.0451,-1.4556;.9119,-.8022,1.4845;2.3948,-1.9086,2.7689;-3.3092,1.3175,-.3871;-1.1266,-2.2063,3.8152;1.8409,-2.6778,-.7695;2.4355,-1.3079,-.9478;2.6059,-2.0459,.4018;.3387,-2.8762,-.7017;2.5616,-3.8261,-1.4531;1.6146,-.0889,-1.0762;1.9878,-1.6035,1.6662;2.0975,1.1502,-1.1427;.2314,-.2845,2.6512;1.2297,2.3671,-1.2896;-.6889,.813,2.1611;-.5175,-1.3717,3.3054;-1.5952,.513,1.1412;-.6039,2.0975,2.6876;-2.4103,1.5196,.6383;-1.4456,3.0934,2.1834;-2.3449,2.8138,1.1627;-3.3125,.0763,-1.0281;-4.1473,-.9317,-.5584;-2.5045,-.1087,-2.1452;-4.1647,-2.1585,-1.222;-2.5305,-1.3385,-2.8019;-3.3556,-2.3648,-2.3401;3.3723,-1.2632,-1.4937;3.594,-2.4504,.5815;-.1898,-2.0727,-.1941;-.0632,-2.9612,-1.7152;.114,-3.8069,-.1726;2.3831,-4.763,-.9168;2.1894,-3.9439,-2.4758;3.6406,-3.659,-1.5007;.5383,-.1912,-1.1356;.9615,.1011,3.3655;-1.6443,-.49,.7398;.1095,2.3234,3.4715;-1.3876,4.0998,2.5821;-2.9904,3.5822,.7536;-4.7616,-.7522,.3162;-1.8709,.7005,-2.486;-4.8102,-2.9522,-.8626;-1.905,-1.4927,-3.6741;-3.3704,-3.3208,-2.8514; 0.1519041 0.1288752 0.1159066 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= 1388 RedAO= T EigKep= 1.27D-06 NBF= 1388 NBsUse= 1381 1.00D-06 EigRej= 9.94D-07 NBFU= 1381 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= 1559 1553 1559 1559 1559 MxSgAt= 50 MxSgA2= 50. 1 Closed 1 1 1 -1928.50676799695 -1928.55592712101 -0.049159124052 -1928.60516603018 -0.049238909169 -1928.60594076868 -0.000774738510 -1928.60603066509 -0.000089896404 -1928.60603693904 -0.000006273950 -1928.60603859354 -0.000001654496 -1928.60603871364 -0.000000120105 -1928.60603873665 -0.000000023007 -1928.60603873725 -0.000000000605 -1928.60603873716 0.000000000090 -1928.60603873700 0.000000000158 -1928.60603874 12 1.921222879336e+03 -1.142418998034e+04 4.126081126851e+03 Using DIIS extrapolation, IDIIS= 1040. NGot= 1415577600 LenX= 1410595977 LenY= 1408116927 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. PT76406.700S 2024-10-10T19:07:31.000 -101.57220 -24.72739 -24.72218 -24.72125 -19.19178 -19.17122 -19.12984 -14.33196 -10.44328 -10.32195 -10.28985 -10.25597 -10.24790 -10.23890 -10.23139 -10.21267 -10.21078 -10.20518 -10.20449 -10.20367 -10.18413 -10.18269 -10.18177 -10.18168 -10.18115 -10.18045 -10.18031 -10.18013 -10.17773 -10.16244 -10.16128 -9.48673 -7.25070 -7.24192 -7.24153 -1.32642 -1.24189 -1.23589 -1.13055 -1.08603 -1.04119 -0.93057 -0.90922 -0.89047 -0.87807 -0.86259 -0.81466 -0.79514 -0.76923 -0.75789 -0.75326 -0.74722 -0.73623 -0.72503 -0.69644 -0.67633 -0.64730 -0.64047 -0.62243 -0.62128 -0.61182 -0.60709 -0.60567 -0.58966 -0.56091 -0.55766 -0.55041 -0.54738 -0.51740 -0.50881 -0.50473 -0.49474 -0.48797 -0.48584 -0.48220 -0.48009 -0.47733 -0.46748 -0.45918 -0.45264 -0.45171 -0.44840 -0.44530 -0.44172 -0.43849 -0.43071 -0.42778 -0.42334 -0.42179 -0.41538 -0.40794 -0.40148 -0.39494 -0.39392 -0.38834 -0.38463 -0.38226 -0.37831 -0.37368 -0.37211 -0.36686 -0.36103 -0.35567 -0.35155 -0.34678 -0.33783 -0.33697 -0.33644 -0.32956 -0.30869 -0.29013 -0.27126 -0.26817 -0.26481 -0.25799 -0.24226 -0.04916 -0.04440 -0.02288 -0.02062 -0.01737 -0.01623 -0.00661 0.00070 0.00341 0.00866 0.01434 0.01505 0.01961 0.02503 0.03007 0.03110 0.03339 0.03551 0.04281 0.04711 0.04807 0.04893 0.05345 0.05765 0.05854 0.06431 0.06772 0.06904 0.07326 0.07741 0.07844 0.08139 0.08550 0.08777 0.09150 0.09749 0.09864 0.09929 0.10148 0.10516 0.10659 0.11136 0.11325 0.11701 0.11842 0.11938 0.12057 0.12655 0.12782 0.13257 0.13296 0.13515 0.13800 0.13841 0.14045 0.14127 0.14475 0.14983 0.15155 0.15447 0.15552 0.15766 0.15943 0.16231 0.16343 0.16659 0.16999 0.17184 0.17449 0.17615 0.17850 0.18012 0.18155 0.18401 0.18565 0.18782 0.19151 0.19394 0.19564 0.19577 0.19801 0.20094 0.20324 0.20550 0.20562 0.20862 0.20942 0.21017 0.21410 0.21519 0.21789 0.21991 0.22362 0.22482 0.22685 0.22867 0.23025 0.23222 0.23269 0.23535 0.23694 0.23801 0.24163 0.24296 0.24568 0.24705 0.24964 0.25045 0.25330 0.25478 0.25626 0.25918 0.25989 0.26382 0.26495 0.26777 0.26956 0.27169 0.27768 0.27915 0.28157 0.28405 0.28628 0.28895 0.29060 0.29225 0.29517 0.29733 0.30003 0.30236 0.30811 0.30890 0.31236 0.31574 0.31625 0.31736 0.32238 0.32464 0.32746 0.32843 0.33158 0.33448 0.33492 0.33811 0.34199 0.34408 0.34643 0.34969 0.35275 0.35589 0.35612 0.35983 0.36264 0.36618 0.36810 0.37318 0.37585 0.37667 0.38045 0.38570 0.38835 0.39130 0.39450 0.39544 0.40073 0.40176 0.40770 0.40885 0.41223 0.41302 0.41564 0.42090 0.42280 0.42561 0.42765 0.43163 0.43333 0.43588 0.44217 0.44419 0.44715 0.44867 0.45164 0.45528 0.45782 0.45989 0.46584 0.46763 0.47055 0.47650 0.47903 0.48180 0.48392 0.48548 0.49135 0.49512 0.49626 0.49956 0.50563 0.50642 0.51384 0.51809 0.51950 0.52316 0.52530 0.52859 0.53080 0.53361 0.53669 0.53765 0.54098 0.54516 0.54765 0.55145 0.55243 0.55255 0.55579 0.55812 0.56215 0.56532 0.56743 0.57190 0.57567 0.57677 0.57840 0.58094 0.58308 0.58514 0.58792 0.58917 0.59183 0.59428 0.59767 0.59834 0.59945 0.60201 0.60400 0.60582 0.61186 0.61581 0.61675 0.62099 0.62140 0.62365 0.62535 0.63041 0.63239 0.63761 0.63872 0.64379 0.64416 0.64998 0.65214 0.65634 0.65683 0.66390 0.66507 0.66930 0.67349 0.67613 0.67735 0.68146 0.68634 0.68792 0.69080 0.69373 0.69734 0.70398 0.70906 0.71293 0.71606 0.72024 0.72258 0.72811 0.72951 0.73295 0.73558 0.73771 0.74491 0.74753 0.74931 0.75027 0.75561 0.76002 0.76616 0.77021 0.77173 0.77777 0.78002 0.78589 0.78679 0.79082 0.79338 0.79533 0.79954 0.80410 0.80850 0.81417 0.81776 0.82061 0.82620 0.82691 0.82897 0.83213 0.83537 0.83956 0.84424 0.84698 0.85542 0.85841 0.86021 0.86499 0.86997 0.87479 0.87844 0.88488 0.89085 0.89237 0.89693 0.90241 0.91142 0.91340 0.91701 0.92341 0.92664 0.93203 0.93392 0.93925 0.95018 0.95099 0.95754 0.96330 0.96789 0.97090 0.97182 0.97575 0.97941 0.98800 0.99313 0.99980 1.00190 1.00347 1.00875 1.01255 1.01828 1.02407 1.02460 1.02826 1.03804 1.04580 1.04779 1.05265 1.05503 1.06038 1.06752 1.07104 1.07699 1.07779 1.08189 1.08627 1.08920 1.09020 1.09578 1.10100 1.10839 1.11056 1.11677 1.12154 1.12697 1.13115 1.13400 1.13751 1.14139 1.14336 1.14490 1.15479 1.15692 1.16499 1.16653 1.16939 1.17195 1.17508 1.17854 1.18428 1.18635 1.19164 1.19462 1.19566 1.19805 1.20277 1.20962 1.21118 1.21478 1.21898 1.22309 1.22660 1.22977 1.23379 1.23816 1.24019 1.24435 1.24574 1.24884 1.25357 1.25572 1.25980 1.26098 1.26525 1.26798 1.27145 1.27767 1.27994 1.28506 1.28797 1.29215 1.29475 1.30037 1.30257 1.30586 1.30777 1.30965 1.31183 1.32114 1.32255 1.32528 1.32814 1.33511 1.33818 1.33868 1.34445 1.34515 1.34953 1.35278 1.35543 1.35799 1.36560 1.36986 1.37140 1.37701 1.37854 1.38064 1.38269 1.38491 1.38730 1.39072 1.39499 1.39721 1.40230 1.40566 1.40816 1.41097 1.41469 1.41731 1.41985 1.42144 1.42274 1.42908 1.43237 1.43370 1.43623 1.44226 1.44672 1.44793 1.45327 1.45647 1.46127 1.46491 1.46974 1.47291 1.47428 1.48158 1.48396 1.48577 1.48876 1.49081 1.49331 1.49926 1.50295 1.50923 1.51250 1.51720 1.52175 1.52598 1.52951 1.53535 1.53977 1.54143 1.54646 1.54785 1.55134 1.55912 1.56506 1.56821 1.57129 1.57617 1.57662 1.58620 1.58744 1.59309 1.60211 1.60494 1.60978 1.61133 1.61713 1.62604 1.63368 1.64103 1.64455 1.64986 1.65289 1.65904 1.66278 1.66557 1.67583 1.68271 1.68500 1.69022 1.69247 1.69979 1.70521 1.70774 1.71839 1.72165 1.72262 1.72904 1.73482 1.74548 1.74936 1.75710 1.75923 1.76313 1.77241 1.77492 1.78235 1.79279 1.79730 1.80282 1.80673 1.80941 1.81391 1.82628 1.83018 1.83871 1.84162 1.84966 1.85277 1.85762 1.86776 1.87047 1.87653 1.88621 1.89003 1.89698 1.90152 1.90461 1.91390 1.92159 1.92957 1.93357 1.94613 1.94658 1.95088 1.95479 1.96055 1.96833 1.97411 1.98302 1.98492 1.99727 2.00117 2.00736 2.01788 2.02708 2.03259 2.03968 2.04495 2.05244 2.05593 2.06527 2.07361 2.07896 2.08607 2.08910 2.09165 2.09459 2.10438 2.10609 2.12178 2.12280 2.12580 2.13403 2.14344 2.14909 2.15514 2.15799 2.17353 2.17559 2.17943 2.18406 2.18744 2.20297 2.20877 2.21489 2.21831 2.23154 2.24364 2.25419 2.26071 2.26561 2.27303 2.27646 2.28576 2.29317 2.30398 2.31430 2.32165 2.32966 2.34004 2.35279 2.35749 2.37200 2.38698 2.39272 2.39622 2.39826 2.40651 2.40911 2.42117 2.42383 2.42563 2.43389 2.44440 2.45325 2.45426 2.45824 2.46282 2.47483 2.48344 2.48739 2.49566 2.49999 2.51136 2.53388 2.53843 2.54337 2.54982 2.55853 2.57102 2.58014 2.59435 2.60812 2.62129 2.62596 2.64537 2.65580 2.67037 2.67701 2.68519 2.68894 2.70603 2.71434 2.72533 2.73884 2.74845 2.75271 2.75695 2.76573 2.77142 2.78352 2.78942 2.80765 2.81052 2.81660 2.82527 2.82788 2.83706 2.84226 2.84300 2.84915 2.85903 2.86141 2.86532 2.86898 2.87113 2.88712 2.89094 2.90001 2.90100 2.90555 2.91372 2.91504 2.92329 2.92850 2.92981 2.93701 2.94399 2.94871 2.95213 2.95520 2.95768 2.96510 2.96994 2.97568 2.98331 2.99470 2.99606 3.00607 3.01025 3.01794 3.02165 3.03314 3.03872 3.04456 3.04954 3.06160 3.06326 3.06936 3.07247 3.07708 3.08174 3.08711 3.09225 3.09935 3.10257 3.11345 3.12414 3.12610 3.13504 3.14164 3.14827 3.15283 3.16110 3.16405 3.17613 3.17831 3.17889 3.18587 3.19597 3.19944 3.20441 3.21116 3.22171 3.22875 3.23364 3.23534 3.24005 3.24696 3.24978 3.25898 3.26329 3.26901 3.27448 3.28361 3.28535 3.29010 3.29423 3.29491 3.30218 3.30536 3.31171 3.31487 3.31894 3.32854 3.33241 3.34351 3.34996 3.35273 3.35463 3.35643 3.36984 3.37777 3.37885 3.38091 3.38634 3.39806 3.40483 3.41228 3.41794 3.41993 3.42534 3.43066 3.43680 3.44241 3.44776 3.45658 3.45759 3.46644 3.47438 3.48628 3.49181 3.49724 3.50147 3.51568 3.52347 3.52608 3.53514 3.54324 3.55422 3.56116 3.56499 3.56884 3.57786 3.58768 3.58818 3.59051 3.59680 3.60527 3.60806 3.61434 3.61573 3.62708 3.63246 3.64013 3.64357 3.64761 3.65899 3.66283 3.66839 3.67233 3.67659 3.67981 3.68760 3.69627 3.69798 3.70169 3.70636 3.71991 3.72817 3.73765 3.73991 3.74755 3.76601 3.77058 3.77690 3.78980 3.79229 3.79863 3.80497 3.81796 3.81997 3.82664 3.84143 3.84917 3.86171 3.86679 3.88355 3.89586 3.90617 3.92378 3.92713 3.94632 3.95489 3.96170 3.96785 3.97417 3.98058 4.00689 4.01338 4.01792 4.03371 4.04611 4.05140 4.06063 4.09737 4.10198 4.12360 4.13112 4.15138 4.15187 4.18269 4.18900 4.19886 4.20407 4.20766 4.21672 4.22662 4.22746 4.23578 4.23972 4.24387 4.25828 4.27076 4.28456 4.29352 4.30012 4.30660 4.31503 4.32764 4.32906 4.33295 4.33998 4.34740 4.35504 4.36050 4.36178 4.36721 4.36898 4.37850 4.38469 4.39024 4.39784 4.40615 4.41515 4.42963 4.43315 4.43689 4.44333 4.44993 4.45999 4.46077 4.47006 4.47565 4.48255 4.48460 4.48960 4.50072 4.50645 4.51388 4.52306 4.53110 4.54174 4.54861 4.55038 4.55493 4.57020 4.57480 4.58447 4.58619 4.59266 4.59859 4.60601 4.61297 4.61928 4.62409 4.63422 4.64352 4.64964 4.65495 4.66770 4.67580 4.69756 4.70447 4.71900 4.72986 4.73062 4.73542 4.74004 4.74868 4.75436 4.75986 4.76393 4.77287 4.77694 4.78851 4.80750 4.81389 4.81674 4.82546 4.83584 4.84161 4.84803 4.86811 4.87765 4.88177 4.92268 4.93575 4.94697 4.95155 4.96486 4.98183 5.00117 5.01120 5.02438 5.04441 5.05964 5.08262 5.09521 5.15372 5.17125 5.17761 5.18795 5.19298 5.20289 5.20523 5.22654 5.23858 5.25764 5.26595 5.28840 5.30982 5.33495 5.35609 5.36682 5.37275 5.39322 5.41402 5.42370 5.44697 5.50116 5.51600 5.53042 5.55032 5.55513 5.57564 5.58727 5.61718 5.62100 5.63631 5.64498 5.68032 5.69392 5.71994 5.74557 5.77077 5.77367 5.77710 5.80294 5.81270 5.82740 5.83556 5.86960 5.87656 5.89289 5.90507 5.91187 5.93096 5.94033 5.94642 5.95862 5.96575 5.97562 6.00084 6.00947 6.01903 6.03001 6.11479 6.14601 6.21007 6.27409 6.32706 6.34236 6.41208 6.42425 6.49348 6.50598 6.52156 6.54151 6.54432 6.56960 6.58559 6.59226 6.59452 6.60096 6.60645 6.62179 6.62761 6.66394 6.66554 6.68332 6.69825 6.72937 6.75460 6.75798 6.77446 6.80454 6.82658 6.84362 6.86053 6.87197 6.88968 6.92867 7.02595 7.04902 7.08986 7.10037 7.10707 7.11376 7.11656 7.12905 7.14072 7.15088 7.16943 7.17811 7.19880 7.20465 7.22439 7.22741 7.23530 7.24968 7.25589 7.27344 7.28306 7.28969 7.29306 7.30975 7.31650 7.31886 7.32332 7.32921 7.33402 7.33683 7.34960 7.35695 7.35980 7.37222 7.37828 7.38468 7.39551 7.41298 7.41402 7.43822 7.44876 7.45710 7.46324 7.47351 7.47414 7.47955 7.48632 7.49359 7.51007 7.52745 7.54025 7.55182 7.57337 7.59214 7.61312 7.61506 7.63104 7.63460 7.64323 7.65379 7.66489 7.67538 7.68255 7.68339 7.70288 7.70904 7.71622 7.71734 7.73821 7.81322 7.82942 7.86184 7.87045 7.89298 7.90502 7.91685 7.93023 7.94403 7.95444 7.95574 7.96549 7.97207 7.98140 7.99612 8.00888 8.01451 8.02435 8.04864 8.06756 8.07994 8.11028 8.11821 8.12775 8.13191 8.15360 8.18652 8.23374 8.24970 8.26415 8.27910 8.28630 8.29206 8.31917 8.32473 8.37854 8.39782 8.43221 8.45795 8.47399 8.51589 8.52923 8.56162 8.60976 8.61667 8.70819 8.72764 8.74760 8.89523 8.90980 9.03585 9.10148 9.16086 9.38394 9.39396 10.10343 10.20947 10.21344 10.89206 10.90165 11.19572 14.40526 14.44753 14.46525 14.52030 14.52564 14.55046 14.60583 14.64948 14.68675 14.81924 14.98526 15.03985 15.11041 15.13493 15.24092 19.28749 19.29224 19.32534 19.35956 19.36010 19.37203 19.37841 19.39040 19.41924 19.44658 19.46464 19.47948 19.63230 19.85043 19.88031 23.98029 24.12984 24.24860 24.33402 24.46102 24.47823 24.55491 24.60848 24.63962 24.76618 24.96537 24.97238 24.98738 24.99869 25.14435 25.25716 25.38947 25.39830 25.39963 25.41754 25.75455 25.80540 25.81086 26.16441 26.83677 28.39512 37.02227 50.26456 50.31828 50.49715 66.99375 67.03113 67.06149 216.12580 1-A. Mulliken charges: 1 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 50 Cl F F 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 C H H H H H H H H H H H H H H H H H H H -0.701755 -0.457232 -0.404786 -0.446838 -0.170859 -0.771439 -0.872061 -1.179142 0.409297 -0.146042 -0.351686 -0.659722 -0.202612 -0.327212 0.546826 0.176185 0.633411 1.498192 0.725418 0.652496 -0.494810 -0.526639 0.146173 -0.055788 -0.119691 0.320005 -0.056040 -0.054672 -0.092745 -0.090393 -0.368669 0.157280 0.163924 0.259930 0.185977 0.157320 0.160125 0.158592 0.160646 0.335683 0.179527 0.259819 0.163038 0.154755 0.155583 0.160573 0.176123 0.154863 0.147063 0.152009 -0.00000 0.6891 -1.2278 -5.0559 5.2483 -188.7415 -185.6813 -201.7725 -4.9722 -2.2045 34.7851 3.3236 6.3838 -9.7074 -4.9722 -2.2045 34.7851 54.5836 49.4271 -112.4986 -9.3154 -22.6239 -26.7129 26.5576 91.3422 -47.6822 5.2170 -6340.3279 -4640.3228 -4177.7114 122.7912 -182.4330 -59.8308 206.6467 64.8372 319.6537 -1779.2785 -1914.2448 -1582.4158 101.3261 20.9841 16.5427 (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A) (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(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-HAMILTON27 APULGAR 2024-10-10T00:00:00.000 0 Single Point CONF101 octanol 0 1 Version=EM64L-G16RevC.01 State=1-A HF=-1928.6060387 RMSD=3.198e-09 Dipole=-2.0482214,0.1081452,-0.2379396 Quadrupole=-0.6276615,0.3259105,0.301751,-16.9159511,20.8957619,1.5714477 PG=C01 [X(C23H19Cl1F3N1O3)] 0 -1.3015418155 2.2383065688 3.3941901736 0 -2.1173578743 -0.6981059812 3.5325647842 0 0.0448491341 -0.554388163 3.3955417322 0 -1.1020382235 -1.3106282036 1.7114202132 0 1.3221112786 1.5742794699 -0.1624082208 0 2.2354577795 3.6292785336 -0.2887713331 0 0.3613470608 -3.3876980575 -0.6807395626 0 3.7670573906 1.0871966574 -2.4741258905 0 -1.2401115425 2.9205888826 -1.2035551782 0 -1.3548445821 2.6421435836 0.269928093 0 -0.1367235276 3.4316632373 -0.2667807118 0 -0.9664109206 1.8032556332 -2.1921490134 0 -2.1480596287 4.0006602829 -1.7641500877 0 -1.2213453163 1.2890782208 0.8422974369 0 1.2481723604 2.9234426581 -0.2461207965 0 -1.2235326978 1.0098467054 2.1442163673 0 2.6287846333 0.9560568955 -0.1119731923 0 -1.101254049 -0.3842452839 2.6893410949 0 2.4088886272 -0.4817657715 0.3075178964 0 3.2655610069 1.0453464532 -1.4377243971 0 1.5122175892 -1.2585964023 -0.4302340102 0 3.054716156 -1.001238697 1.4243472062 0 1.2536498607 -2.5634232838 -0.0290913893 0 2.7976889783 -2.3226185549 1.8019837839 0 1.9014665231 -3.1047609724 1.0851764543 0 -0.4045906602 -2.8457064249 -1.7156574872 0 0.0727686797 -2.904214278 -3.0202940985 0 -1.6453421056 -2.2914760635 -1.4182172762 0 -0.7116716037 -2.3856790457 -4.0506620737 0 -2.4219939084 -1.7771662984 -2.4559012776 0 -1.9558998232 -1.8193615898 -3.7704925122 0 -2.0288540982 3.2866180205 0.8248564426 0 -0.1555288129 4.4954714681 -0.0663555877 0 -0.2987018885 1.0330505197 -1.8133866722 0 -1.9099509793 1.3274942668 -2.4740109356 0 -0.5151262557 2.2165431078 -3.0988656108 0 -1.6974956643 4.4567309807 -2.6508595738 0 -3.108789229 3.5652432553 -2.0570955098 0 -2.3408794675 4.7902006002 -1.0335200467 0 -1.1267901655 0.4468909331 0.1683613781 0 3.2615412304 1.4845622479 0.6037109656 0 1.014903187 -0.8368579323 -1.2928969463 0 3.7407215595 -0.3878071477 1.9966395623 0 3.2913937017 -2.7392692286 2.672432536 0 1.6828790295 -4.1247273929 1.3788948386 0 1.045209177 -3.3416383684 -3.2141746079 0 -1.9874357636 -2.2677260873 -0.3912108633 0 -0.3478545944 -2.4240749393 -5.0713858733 0 -3.3909809857 -1.3436510061 -2.234827487 0 -2.5612307187 -1.4153286499 -4.5740836991