Gaussian 16 GINC-BELVIS16 APULGAR Optimization cinmethylin CONF104 octanol EM64L-G16RevC.01 18-Nov-2022 Gaussian 16 3-Jul-2019 EM64L-G16RevC.01 46 46 75 75 596 (5D, 7F) 6-311+G(d,p) 132 132 C1[X(C18H26O2)] C1[X(C18H26O2)] RB3LYP 6-311+G(d,p) FOpt #P B3LYP 6-311+G(d,p) EmpiricalDispersion=gd3 scrf=(smd,Solvent=n-Octanol) opt freq 248.19139999999987 0 1 AuxInfo=1/0/N:3;4;5;6;7;8;9;10;11;12;13;14;15;16;17;18;19;20;1;2;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/rA:46nO0O0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:2.1151,-.0735,-1.122;-.2853,-.7902,.441;2.5412,.9573,-.2304;2.0127,-1.1392,-.1802;1.038,-.5597,.8611;1.4366,.9312,.8431;3.8062,.3394,.3923;3.4125,-1.1467,.4627;2.7538,2.2698,-.9708;1.604,-2.4317,-.8383;1.527,2.7258,-1.7549;3.2131,3.3601,-.0078;-1.2561,-.382,1.3797;-2.618,-.6825,.8252;-3.134,.0491,-.2553;-3.3693,-1.7122,1.3802;-4.3963,-.2827,-.7391;-2.3608,1.1707,-.8864;-4.6283,-2.0307,.8895;-5.1415,-1.3114,-.1774;1.1954,-1.0191,1.8461;.5863,1.5496,.5474;1.7821,1.2931,1.8114;4.0439,.768,1.3656;4.6713,.4951,-.2562;4.0918,-1.7695,-.1218;3.4002,-1.5462,1.4776;3.5639,2.0979,-1.6898;.6645,-2.3431,-1.3828;2.3711,-2.7652,-1.5389;1.4837,-3.2141,-.0878;.6808,2.9487,-1.1018;1.7528,3.6404,-2.3064;1.2015,1.9824,-2.4827;4.1228,3.083,.527;2.4465,3.5901,.7356;3.4267,4.2837,-.5483;-1.1655,.6896,1.603;-1.1146,-.9114,2.3318;-2.9618,-2.2738,2.213;-4.8063,.2783,-1.5708;-1.4379,.8177,-1.3476;-2.9493,1.664,-1.659;-2.0822,1.9305,-.1529;-5.1995,-2.834,1.3368;-6.1212,-1.5457,-.5745; g16 /usr/local/gaussian/gaussian16/g16/l1.exe "/temporal/apulgar/opt-b3lyp-pople.com-4426685/Gau-6281.inp" -scrdir="/temporal/apulgar/opt-b3lyp-pople.com-4426685/" chk=/home/apulgar/almacen/pesticidas/gaussian_results/30_herbicides/cinmethylin #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 cinmethylin CONF104 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 16 16 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 15.9949146 15.9949146 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 (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 1 1 2 2 3 3 3 4 4 4 5 5 6 6 7 7 7 8 8 9 9 9 10 10 10 11 11 11 12 12 12 13 13 13 14 14 15 15 16 16 17 17 18 18 18 19 19 20 3 4 5 13 6 7 9 5 8 10 6 21 22 23 8 24 25 26 27 11 12 28 29 30 31 32 33 34 35 36 37 14 38 39 15 16 17 18 19 40 20 41 42 43 44 20 45 46 1.4279 1.4259 1.4073 1.4108 1.5406 1.5395 1.5219 1.5395 1.5405 1.5069 1.5434 1.0982 1.0922 1.0899 1.5389 1.0897 1.0923 1.0913 1.0907 1.5256 1.5255 1.0967 1.0895 1.0911 1.0908 1.0919 1.0917 1.0901 1.091 1.0923 1.0912 1.5008 1.0984 1.0985 1.4032 1.3903 1.392 1.5013 1.3883 1.0839 1.3889 1.0838 1.0904 1.0893 1.0922 1.3852 1.0824 1.0828 estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2 A1 A2 A3 A4 A5 A6 A7 A8 A9 A10 A11 A12 A13 A14 A15 A16 A17 A18 A19 A20 A21 A22 A23 A24 A25 A26 A27 A28 A29 A30 A31 A32 A33 A34 A35 A36 A37 A38 A39 A40 A41 A42 A43 A44 A45 A46 A47 A48 A49 A50 A51 A52 A53 A54 A55 A56 A57 A58 A59 A60 A61 A62 A63 A64 A65 A66 A67 A68 A69 A70 A71 A72 A73 A74 A75 A76 A77 A78 A79 A80 A81 A82 A83 A84 A85 A86 A87 A88 A89 A90 A91 A92 3 5 1 1 1 6 6 7 1 1 1 5 5 8 2 2 2 4 4 6 3 3 3 5 5 22 3 3 3 8 8 24 4 4 4 7 7 26 3 3 3 11 11 12 4 4 4 29 29 30 9 9 9 32 32 33 9 9 9 35 35 36 2 2 2 14 14 38 13 13 15 14 14 17 14 14 19 15 15 20 15 15 15 42 42 43 16 16 20 17 17 19 1 2 3 3 3 3 3 3 4 4 4 4 4 4 5 5 5 5 5 5 6 6 6 6 6 6 7 7 7 7 7 7 8 8 8 8 8 8 9 9 9 9 9 9 10 10 10 10 10 10 11 11 11 11 11 11 12 12 12 12 12 12 13 13 13 13 13 13 14 14 14 15 15 15 16 16 16 17 17 17 18 18 18 18 18 18 19 19 19 20 20 20 4 13 6 7 9 7 9 9 5 8 10 8 10 10 4 6 21 6 21 21 5 22 23 22 23 23 8 24 25 24 25 25 7 26 27 26 27 27 11 12 28 12 28 28 29 30 31 30 31 31 32 33 34 33 34 34 35 36 37 36 37 37 14 38 39 38 39 39 15 16 16 17 18 18 19 40 40 20 41 41 42 43 44 43 44 44 20 45 45 19 46 46 98.5424 113.6464 102.0606 102.0051 111.1307 107.4892 116.9877 115.3505 102.1755 102.3594 111.8435 107.1477 116.5236 115.1224 109.3723 113.4239 109.5113 101.0837 111.0051 112.1834 102.1009 111.0952 112.7171 110.4294 113.0957 107.4194 101.2968 112.4945 110.6995 113.2488 111.5565 107.5458 102.0445 110.1722 112.3231 111.5527 113.5295 107.2361 113.2924 110.5682 106.6749 110.6696 107.691 107.6674 112.4802 110.6043 110.1657 108.0732 107.8819 107.4595 112.1296 110.1039 112.3055 106.9401 107.8865 107.2076 112.2664 111.6396 110.5553 107.7634 107.1341 107.2359 108.7075 111.1448 110.3988 110.2048 109.9171 106.4566 120.9173 119.4147 119.6624 118.4746 121.5887 119.9364 121.2546 119.1645 119.5808 121.5077 119.1036 119.3883 111.8324 110.9959 111.6408 107.6882 107.0541 107.3969 119.2804 120.1759 120.5436 119.8197 119.8314 120.3487 estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2 D1 D2 D3 D4 D5 D6 D7 D8 D9 D10 D11 D12 D13 D14 D15 D16 D17 D18 D19 D20 D21 D22 D23 D24 D25 D26 D27 D28 D29 D30 D31 D32 D33 D34 D35 D36 D37 D38 D39 D40 D41 D42 D43 D44 D45 D46 D47 D48 D49 D50 D51 D52 D53 D54 D55 D56 D57 D58 D59 D60 D61 D62 D63 D64 D65 D66 D67 D68 D69 D70 D71 D72 D73 D74 D75 D76 D77 D78 D79 D80 D81 D82 D83 D84 D85 D86 D87 D88 D89 D90 D91 D92 D93 D94 D95 D96 D97 D98 D99 D100 D101 D102 D103 D104 D105 D106 D107 D108 D109 D110 D111 D112 D113 D114 D115 D116 D117 D118 D119 D120 D121 D122 D123 D124 D125 D126 D127 D128 D129 D130 D131 D132 D133 D134 D135 D136 D137 D138 4 4 4 3 3 3 13 13 13 5 5 5 1 1 1 7 7 7 9 9 9 1 1 1 6 6 6 9 9 9 1 1 1 6 6 6 7 7 7 1 1 1 8 8 8 10 10 10 1 1 1 5 5 5 10 10 10 1 1 1 5 5 5 8 8 8 2 2 2 4 4 4 21 21 21 3 3 3 24 24 24 25 25 25 3 3 3 12 12 12 28 28 28 3 3 3 11 11 11 28 28 28 2 2 38 38 39 39 13 13 16 16 13 13 15 15 14 14 18 18 14 14 14 17 17 17 14 14 40 40 15 15 41 41 16 16 45 45 1 1 1 1 1 1 2 2 2 2 2 2 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 5 5 5 5 5 5 5 5 5 7 7 7 7 7 7 7 7 7 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 13 13 13 13 13 13 14 14 14 14 14 14 14 14 15 15 15 15 15 15 15 15 15 15 16 16 16 16 17 17 17 17 19 19 19 19 3 3 3 4 4 4 5 5 5 13 13 13 6 6 6 6 6 6 6 6 6 7 7 7 7 7 7 7 7 7 9 9 9 9 9 9 9 9 9 5 5 5 5 5 5 5 5 5 8 8 8 8 8 8 8 8 8 10 10 10 10 10 10 10 10 10 6 6 6 6 6 6 6 6 6 8 8 8 8 8 8 8 8 8 11 11 11 11 11 11 11 11 11 12 12 12 12 12 12 12 12 12 14 14 14 14 14 14 15 15 15 15 16 16 16 16 17 17 17 17 18 18 18 18 18 18 19 19 19 19 20 20 20 20 20 20 20 20 6 7 9 5 8 10 4 6 21 14 38 39 5 22 23 5 22 23 5 22 23 8 24 25 8 24 25 8 24 25 11 12 28 11 12 28 11 12 28 2 6 21 2 6 21 2 6 21 7 26 27 7 26 27 7 26 27 29 30 31 29 30 31 29 30 31 3 22 23 3 22 23 3 22 23 4 26 27 4 26 27 4 26 27 32 33 34 32 33 34 32 33 34 35 36 37 35 36 37 35 36 37 15 16 15 16 15 16 17 18 17 18 19 40 19 40 20 41 20 41 42 43 44 42 43 44 20 45 20 45 19 46 19 46 17 46 17 46 -54.9442 56.1324 179.6002 56.2907 -54.5673 -178.3524 175.5617 -72.4503 53.7113 -179.7548 58.7831 -59.1142 31.9973 -85.7347 153.6441 -74.8801 167.3879 46.7667 153.4968 35.7648 -84.8564 -35.0142 -156.2386 83.4113 71.9022 -49.3222 -169.6723 -155.5833 83.1922 -37.1578 55.3054 -179.8041 -63.0101 -61.3231 63.5675 -179.6385 170.7641 -64.3454 52.4486 85.1972 -34.6889 -153.8557 -167.6016 72.5123 -46.6545 -37.0175 -156.9036 83.9296 31.4512 -87.1402 153.3816 -75.6204 165.7883 46.31 153.0148 34.4234 -85.0548 -56.672 64.2763 -177.0683 60.3294 -178.7223 -60.0669 -172.9455 -51.9971 66.6582 -115.4518 2.7555 123.1622 1.4998 119.7071 -119.8862 119.8161 -121.9766 -1.5698 2.0979 119.7038 -119.0003 122.7919 -119.6022 1.6938 -115.7078 1.8981 123.1941 64.0606 -177.0056 -57.6212 -60.7752 58.1586 177.543 -178.2143 -59.2805 60.1039 56.8178 -64.3203 176.3906 -176.8143 62.0476 -57.2415 -59.3607 179.5012 60.2121 -70.3535 108.7867 51.6818 -129.178 168.7091 -12.1507 179.2607 -0.9452 0.1226 179.9167 -179.4171 0.6958 -0.2659 179.8469 -0.0099 179.7576 -179.8075 -0.04 63.7993 -175.9129 -56.1242 -116.4095 3.8783 123.667 0.2902 -179.818 -179.8231 0.0687 0.0354 179.9139 -179.7315 0.147 -0.1725 179.9497 179.9361 0.0583 estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|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 616 A 596 A 928 616 1655.1929458031 46 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= 596 RedAO= T EigKep= 1.28D-06 NBF= 596 NBsUse= 594 1.00D-06 EigRej= 9.36D-07 NBFU= 594 Berny optimization. local minimum Step number 10 out of a maximum of 276 All quantities printed in internal units (Hartrees-Bohrs-Radians) 0.00163 0.00315 0.00335 0.00428 0.00470 0.00533 0.00745 0.00806 0.01512 0.01580 0.01675 0.01844 0.02194 0.02219 0.02228 0.02236 0.02255 0.02261 0.02274 0.02332 0.02676 0.03509 0.03605 0.03709 0.03815 0.04201 0.04548 0.04865 0.05039 0.05135 0.05223 0.05446 0.05459 0.05637 0.05647 0.05661 0.05767 0.05796 0.05868 0.05919 0.06487 0.06582 0.06598 0.06668 0.07038 0.07181 0.07231 0.07436 0.08069 0.08765 0.08836 0.09853 0.11452 0.12023 0.12418 0.12910 0.14197 0.14755 0.15614 0.15902 0.15971 0.16000 0.16000 0.16000 0.16000 0.16000 0.16000 0.16002 0.16007 0.16015 0.16025 0.16044 0.16144 0.16221 0.17462 0.17547 0.18419 0.21999 0.22337 0.22471 0.23565 0.24569 0.25031 0.25456 0.25798 0.25991 0.26470 0.27082 0.28511 0.29055 0.29842 0.30576 0.31297 0.31802 0.31944 0.32598 0.33793 0.33862 0.34010 0.34075 0.34236 0.34515 0.34552 0.34561 0.34589 0.34637 0.34666 0.34670 0.34685 0.34702 0.34714 0.34769 0.34776 0.34799 0.34838 0.34845 0.34896 0.34987 0.35473 0.35536 0.35624 0.35686 0.35840 0.35974 0.42864 0.43007 0.43684 0.44939 0.46863 0.47451 0.48117 0.49476 -2.09909970e-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 A1 A2 A3 A4 A5 A6 A7 A8 A9 A10 A11 A12 A13 A14 A15 A16 A17 A18 A19 A20 A21 A22 A23 A24 A25 A26 A27 A28 A29 A30 A31 A32 A33 A34 A35 A36 A37 A38 A39 A40 A41 A42 A43 A44 A45 A46 A47 A48 A49 A50 A51 A52 A53 A54 A55 A56 A57 A58 A59 A60 A61 A62 A63 A64 A65 A66 A67 A68 A69 A70 A71 A72 A73 A74 A75 A76 A77 A78 A79 A80 A81 A82 A83 A84 A85 A86 A87 A88 A89 A90 A91 A92 D1 D2 D3 D4 D5 D6 D7 D8 D9 D10 D11 D12 D13 D14 D15 D16 D17 D18 D19 D20 D21 D22 D23 D24 D25 D26 D27 D28 D29 D30 D31 D32 D33 D34 D35 D36 D37 D38 D39 D40 D41 D42 D43 D44 D45 D46 D47 D48 D49 D50 D51 D52 D53 D54 D55 D56 D57 D58 D59 D60 D61 D62 D63 D64 D65 D66 D67 D68 D69 D70 D71 D72 D73 D74 D75 D76 D77 D78 D79 D80 D81 D82 D83 D84 D85 D86 D87 D88 D89 D90 D91 D92 D93 D94 D95 D96 D97 D98 D99 D100 D101 D102 D103 D104 D105 D106 D107 D108 D109 D110 D111 D112 D113 D114 D115 D116 D117 D118 D119 D120 D121 D122 D123 D124 D125 D126 D127 D128 D129 D130 D131 D132 D133 D134 D135 D136 D137 D138 2.75075 2.74169 2.69728 2.70661 2.92757 2.92433 2.88773 2.92394 2.92727 2.85151 2.93448 2.07188 2.05841 2.06070 2.93144 2.06144 2.06454 2.06292 2.06384 2.89921 2.90073 2.07368 2.06114 2.06587 2.06707 2.06735 2.06833 2.06360 2.06628 2.06931 2.06731 2.84619 2.07452 2.07446 2.66615 2.63993 2.64293 2.85070 2.63628 2.05145 2.63756 2.05150 2.06372 2.06334 2.06929 2.63114 2.04960 2.05024 1.71334 1.98548 1.77708 1.76950 1.92718 1.88501 2.04979 2.01941 1.77491 1.78006 1.93976 1.88078 2.03455 2.02136 1.90277 1.96697 1.90220 1.77236 1.94266 1.97346 1.78742 1.93464 1.96137 1.90903 1.97594 1.89394 1.77445 1.95938 1.91789 1.97696 1.94415 1.88966 1.78617 1.91053 1.95502 1.94573 1.98041 1.88494 1.97339 1.93558 1.84727 1.93518 1.88039 1.88708 1.93927 1.92005 1.91788 1.90351 1.89107 1.89118 1.95016 1.91843 1.94616 1.87500 1.88594 1.88551 1.95519 1.93825 1.92484 1.88505 1.87967 1.87805 1.89810 1.92219 1.91180 1.92663 1.92873 1.87645 2.10676 2.08721 2.08914 2.06750 2.11594 2.09974 2.11547 2.07801 2.08970 2.12049 2.07747 2.08522 1.93833 1.93818 1.94097 1.89375 1.86672 1.88327 2.08232 2.09739 2.10347 2.09143 2.09199 2.09976 -0.95634 0.98727 3.13690 0.98550 -0.95615 -3.12064 3.03408 -1.29527 0.91049 3.04612 0.93279 -1.12751 0.55268 -1.48193 2.67861 -1.30197 2.94660 0.82396 2.65904 0.62442 -1.49821 -0.62253 -2.74074 1.43842 1.23740 -0.88080 -2.98483 -2.70760 1.45738 -0.64664 0.96182 -3.13521 -1.09267 -1.06414 1.12201 -3.11863 2.95831 -1.13872 0.90383 1.46121 -0.61830 -2.72312 -2.95793 1.24575 -0.85908 -0.65096 -2.73047 1.44789 0.54926 -1.51641 2.67653 -1.31119 2.90633 0.81608 2.65792 0.59225 -1.49800 -1.04375 1.06597 -3.13645 0.97862 3.08833 -1.11409 -3.06399 -0.95428 1.12648 -1.99629 0.05666 2.17095 0.03685 2.08979 -2.07911 2.11989 -2.11035 0.00394 0.04449 2.08506 -2.06532 2.15043 -2.09219 0.04061 -1.99749 0.04307 2.17588 1.16589 -3.03734 -0.94679 -1.02048 1.05947 -3.13316 -3.08229 -1.00233 1.08822 0.99167 -1.11781 3.08504 -3.08404 1.08967 -0.99067 -1.02630 -3.13578 1.06706 -1.22089 1.90771 0.88972 -2.26486 2.96318 -0.19140 3.13113 -0.00959 0.00254 -3.13818 -3.13430 0.00613 -0.00556 3.13487 0.00062 3.14104 3.14136 -0.00141 1.06446 -3.10974 -1.01226 -2.07625 0.03273 2.13022 0.00531 -3.14079 -3.13511 0.00197 -0.00086 3.14109 -3.14127 0.00067 -0.00207 3.13916 -3.13914 0.00210 -0.00001 -0.00000 0.00001 0.00001 -0.00001 -0.00000 -0.00001 -0.00001 -0.00001 0.00000 -0.00001 0.00000 0.00000 -0.00000 -0.00001 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 -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 -0.00001 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00001 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00001 0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 -0.00004 -0.00005 -0.00000 -0.00001 0.00002 0.00003 0.00002 0.00004 0.00000 0.00002 0.00001 -0.00001 -0.00002 -0.00002 -0.00002 -0.00001 -0.00002 -0.00001 -0.00002 0.00003 0.00000 -0.00001 -0.00001 -0.00002 -0.00001 -0.00001 -0.00002 -0.00002 -0.00001 -0.00001 -0.00001 0.00001 -0.00001 -0.00000 -0.00000 -0.00003 -0.00002 0.00001 -0.00001 -0.00000 -0.00001 -0.00000 -0.00002 -0.00002 0.00000 -0.00002 -0.00000 -0.00000 0.00003 -0.00003 0.00002 -0.00000 0.00003 -0.00005 0.00002 -0.00001 -0.00000 -0.00000 0.00002 -0.00003 -0.00003 0.00005 -0.00001 -0.00000 -0.00000 0.00001 -0.00001 0.00001 -0.00002 -0.00002 -0.00007 -0.00001 -0.00001 0.00012 0.00000 -0.00004 -0.00004 -0.00001 -0.00000 0.00008 0.00000 -0.00005 -0.00003 -0.00002 0.00000 0.00009 0.00000 -0.00001 0.00000 0.00000 -0.00000 0.00000 -0.00005 0.00001 -0.00002 0.00003 -0.00000 0.00004 -0.00004 -0.00001 -0.00003 0.00002 0.00002 0.00004 -0.00002 -0.00003 -0.00001 0.00002 0.00003 0.00002 0.00000 0.00002 -0.00000 0.00002 -0.00004 0.00001 0.00001 -0.00002 0.00001 -0.00001 0.00001 0.00000 -0.00000 -0.00001 0.00001 -0.00000 -0.00000 0.00000 -0.00005 -0.00002 -0.00002 0.00004 0.00003 0.00001 -0.00000 0.00001 -0.00001 0.00001 0.00001 -0.00001 0.00002 -0.00003 -0.00003 -0.00003 0.00000 -0.00006 -0.00006 -0.00006 -0.00004 0.00010 0.00007 0.00005 -0.00003 0.00001 -0.00009 -0.00002 0.00002 -0.00008 0.00004 0.00007 -0.00002 0.00005 0.00008 0.00003 0.00006 0.00009 0.00004 0.00002 0.00006 0.00001 -0.00009 -0.00009 -0.00009 -0.00015 -0.00015 -0.00015 -0.00008 -0.00008 -0.00008 0.00002 0.00002 0.00001 0.00001 0.00001 -0.00001 0.00002 0.00002 0.00000 0.00001 0.00005 -0.00000 0.00003 0.00007 0.00001 0.00006 0.00010 0.00004 0.00022 0.00023 0.00027 0.00021 0.00022 0.00026 0.00018 0.00019 0.00023 0.00001 -0.00003 0.00011 0.00000 -0.00003 0.00010 0.00000 -0.00003 0.00010 -0.00004 -0.00010 0.00000 -0.00008 -0.00014 -0.00004 0.00001 -0.00005 0.00005 -0.00013 -0.00014 -0.00011 -0.00013 -0.00013 -0.00010 -0.00013 -0.00013 -0.00011 -0.00014 -0.00013 -0.00013 -0.00015 -0.00013 -0.00013 -0.00014 -0.00013 -0.00013 -0.00036 -0.00031 -0.00032 -0.00027 -0.00033 -0.00028 0.00009 0.00004 0.00004 -0.00001 -0.00005 -0.00005 -0.00000 0.00000 -0.00004 -0.00004 0.00001 0.00001 -0.00075 -0.00074 -0.00075 -0.00080 -0.00079 -0.00080 -0.00003 -0.00002 -0.00003 -0.00003 0.00001 0.00001 0.00001 0.00000 0.00002 0.00003 0.00002 0.00002 0.00001 0.00003 0.00003 0.00004 -0.00001 -0.00001 -0.00004 -0.00004 -0.00001 -0.00001 -0.00002 0.00000 0.00001 0.00001 -0.00000 0.00000 0.00001 0.00000 0.00001 -0.00002 0.00000 0.00000 0.00000 0.00001 0.00000 0.00001 0.00000 0.00001 0.00000 0.00000 0.00000 -0.00001 -0.00001 -0.00001 -0.00001 0.00001 -0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 0.00001 0.00001 0.00000 0.00001 0.00000 0.00000 -0.00003 -0.00000 -0.00003 0.00000 -0.00003 0.00006 -0.00003 0.00001 0.00001 0.00002 -0.00003 0.00003 0.00000 -0.00002 0.00000 0.00001 -0.00001 -0.00001 0.00001 0.00000 0.00001 0.00002 0.00002 0.00002 -0.00000 -0.00007 -0.00001 0.00003 0.00004 0.00000 -0.00002 -0.00005 -0.00000 0.00004 0.00003 -0.00000 -0.00000 -0.00005 -0.00002 0.00000 0.00003 -0.00001 0.00001 0.00000 0.00001 0.00001 0.00002 -0.00002 -0.00001 -0.00002 0.00002 -0.00000 0.00001 -0.00000 -0.00001 -0.00002 0.00001 0.00002 -0.00000 -0.00001 -0.00002 -0.00001 -0.00000 -0.00004 0.00001 -0.00001 0.00004 0.00001 -0.00001 0.00002 -0.00001 0.00001 -0.00003 0.00002 -0.00000 0.00001 -0.00001 -0.00000 0.00001 -0.00000 0.00002 0.00001 -0.00001 -0.00002 0.00000 -0.00001 0.00000 -0.00000 0.00000 -0.00000 -0.00001 0.00001 -0.00003 0.00002 0.00003 0.00004 0.00000 0.00003 0.00003 0.00002 0.00002 -0.00012 -0.00008 -0.00007 0.00005 0.00002 0.00007 0.00004 0.00001 0.00006 -0.00002 -0.00005 0.00000 -0.00005 -0.00007 -0.00006 -0.00007 -0.00008 -0.00007 -0.00003 -0.00004 -0.00003 -0.00000 -0.00003 -0.00001 0.00008 0.00004 0.00006 -0.00001 -0.00004 -0.00002 -0.00000 -0.00001 -0.00001 0.00002 0.00002 0.00002 0.00003 0.00002 0.00002 -0.00002 -0.00003 -0.00001 -0.00004 -0.00005 -0.00003 -0.00005 -0.00006 -0.00004 0.00012 0.00011 0.00011 0.00011 0.00010 0.00010 0.00013 0.00012 0.00012 -0.00003 0.00001 -0.00006 -0.00003 0.00001 -0.00006 -0.00002 0.00002 -0.00005 0.00004 0.00008 0.00001 0.00007 0.00011 0.00004 -0.00000 0.00004 -0.00003 -0.00007 -0.00007 -0.00009 -0.00005 -0.00005 -0.00006 -0.00005 -0.00005 -0.00006 0.00001 -0.00000 -0.00001 -0.00003 -0.00004 -0.00004 -0.00003 -0.00004 -0.00004 0.00024 0.00018 0.00018 0.00012 0.00021 0.00015 -0.00004 0.00003 0.00002 0.00010 0.00002 0.00003 -0.00004 -0.00003 0.00001 0.00003 -0.00006 -0.00004 -0.00010 -0.00010 -0.00010 -0.00002 -0.00003 -0.00003 0.00002 0.00002 0.00001 0.00000 -0.00003 -0.00000 -0.00005 -0.00002 0.00002 -0.00001 0.00002 -0.00001 -0.00003 -0.00002 0.00003 0.00003 0.00000 0.00002 -0.00002 -0.00001 -0.00001 0.00001 -0.00002 -0.00000 -0.00001 -0.00001 -0.00002 -0.00001 -0.00001 -0.00000 -0.00001 0.00001 0.00000 -0.00000 -0.00000 -0.00001 -0.00001 -0.00001 -0.00001 -0.00001 -0.00001 -0.00001 -0.00001 -0.00000 -0.00002 -0.00001 -0.00002 -0.00002 -0.00002 0.00001 -0.00000 -0.00000 -0.00001 -0.00000 -0.00001 -0.00001 0.00000 -0.00001 -0.00000 -0.00000 -0.00000 -0.00003 -0.00001 -0.00000 0.00000 0.00001 -0.00001 0.00000 0.00000 0.00001 -0.00001 -0.00000 -0.00003 0.00003 -0.00001 0.00000 -0.00002 0.00000 0.00000 0.00002 -0.00001 0.00000 -0.00005 0.00000 -0.00001 0.00005 -0.00000 -0.00001 0.00000 -0.00001 -0.00002 0.00003 -0.00000 -0.00001 -0.00000 -0.00002 0.00000 0.00003 -0.00002 -0.00000 0.00003 -0.00001 0.00000 0.00000 -0.00004 0.00002 -0.00000 0.00001 -0.00001 0.00002 -0.00002 -0.00001 -0.00001 0.00002 0.00001 0.00002 -0.00001 -0.00001 -0.00001 0.00001 0.00001 0.00001 0.00000 -0.00002 0.00000 0.00000 -0.00001 0.00002 -0.00000 0.00000 0.00000 0.00000 -0.00003 0.00002 -0.00000 -0.00000 0.00001 -0.00001 0.00001 0.00000 -0.00003 -0.00001 -0.00002 0.00003 0.00003 0.00000 -0.00000 0.00001 -0.00001 0.00000 0.00000 -0.00001 -0.00002 -0.00001 -0.00000 0.00000 0.00000 -0.00004 -0.00003 -0.00003 -0.00002 -0.00002 -0.00001 -0.00002 0.00003 0.00002 -0.00001 0.00003 0.00002 -0.00001 0.00002 0.00002 -0.00002 -0.00000 0.00002 -0.00002 -0.00001 0.00001 -0.00003 -0.00001 0.00001 -0.00002 -0.00009 -0.00012 -0.00010 -0.00007 -0.00011 -0.00009 -0.00009 -0.00012 -0.00010 0.00002 0.00002 -0.00000 0.00004 0.00003 0.00001 0.00005 0.00004 0.00002 -0.00001 0.00002 -0.00001 -0.00001 0.00002 -0.00002 0.00001 0.00004 0.00000 0.00034 0.00035 0.00038 0.00032 0.00032 0.00036 0.00031 0.00032 0.00035 -0.00002 -0.00002 0.00005 -0.00003 -0.00002 0.00004 -0.00002 -0.00001 0.00005 0.00001 -0.00002 0.00001 -0.00001 -0.00004 -0.00001 0.00001 -0.00001 0.00002 -0.00021 -0.00021 -0.00020 -0.00018 -0.00018 -0.00017 -0.00018 -0.00018 -0.00017 -0.00013 -0.00013 -0.00013 -0.00017 -0.00017 -0.00017 -0.00017 -0.00017 -0.00017 -0.00012 -0.00013 -0.00014 -0.00015 -0.00012 -0.00013 0.00005 0.00007 0.00006 0.00008 -0.00003 -0.00001 -0.00004 -0.00003 -0.00003 -0.00001 -0.00005 -0.00003 -0.00085 -0.00084 -0.00085 -0.00082 -0.00082 -0.00083 -0.00001 -0.00001 -0.00002 -0.00002 -0.00002 0.00000 -0.00004 -0.00002 0.00004 0.00001 0.00004 0.00001 2.75072 2.74167 2.69732 2.70664 2.92758 2.92435 2.88771 2.92393 2.92726 2.85152 2.93447 2.07187 2.05840 2.06069 2.93141 2.06143 2.06453 2.06292 2.06383 2.89922 2.90073 2.07368 2.06113 2.06586 2.06706 2.06734 2.06832 2.06359 2.06627 2.06931 2.06730 2.84619 2.07451 2.07445 2.66614 2.63991 2.64291 2.85070 2.63627 2.05145 2.63755 2.05149 2.06371 2.06333 2.06929 2.63112 2.04959 2.05024 1.71333 1.98545 1.77708 1.76949 1.92718 1.88502 2.04978 2.01941 1.77492 1.78007 1.93975 1.88078 2.03451 2.02139 1.90276 1.96698 1.90218 1.77236 1.94266 1.97348 1.78741 1.93465 1.96132 1.90903 1.97593 1.89400 1.77445 1.95937 1.91790 1.97695 1.94413 1.88969 1.78617 1.91052 1.95502 1.94571 1.98041 1.88497 1.97337 1.93558 1.84730 1.93518 1.88039 1.88708 1.93923 1.92007 1.91788 1.90352 1.89106 1.89120 1.95013 1.91842 1.94615 1.87502 1.88596 1.88554 1.95518 1.93824 1.92483 1.88506 1.87967 1.87805 1.89810 1.92217 1.91181 1.92663 1.92872 1.87647 2.10675 2.08721 2.08915 2.06751 2.11591 2.09977 2.11547 2.07801 2.08971 2.12049 2.07748 2.08522 1.93830 1.93817 1.94094 1.89378 1.86676 1.88327 2.08232 2.09740 2.10346 2.09144 2.09199 2.09976 -0.95636 0.98726 3.13689 0.98551 -0.95615 -3.12068 3.03405 -1.29530 0.91047 3.04611 0.93278 -1.12753 0.55271 -1.48191 2.67860 -1.30194 2.94662 0.82395 2.65906 0.62444 -1.49823 -0.62254 -2.74072 1.43840 1.23740 -0.88079 -2.98486 -2.70760 1.45740 -0.64667 0.96173 -3.13533 -1.09276 -1.06422 1.12191 -3.11872 2.95823 -1.13883 0.90373 1.46123 -0.61828 -2.72313 -2.95790 1.24578 -0.85907 -0.65091 -2.73043 1.44792 0.54925 -1.51638 2.67651 -1.31120 2.90635 0.81606 2.65792 0.59229 -1.49800 -1.04340 1.06632 -3.13607 0.97894 3.08866 -1.11373 -3.06368 -0.95396 1.12683 -1.99631 0.05664 2.17099 0.03682 2.08977 -2.07906 2.11988 -2.11036 0.00399 0.04450 2.08504 -2.06531 2.15041 -2.09223 0.04060 -1.99748 0.04306 2.17589 1.16568 -3.03755 -0.94699 -1.02066 1.05930 -3.13333 -3.08247 -1.00251 1.08805 0.99154 -1.11794 3.08490 -3.08421 1.08949 -0.99085 -1.02647 -3.13595 1.06689 -1.22101 1.90758 0.88958 -2.26502 2.96306 -0.19153 3.13118 -0.00952 0.00260 -3.13810 -3.13433 0.00612 -0.00561 3.13485 0.00060 3.14104 3.14131 -0.00144 1.06361 -3.11058 -1.01312 -2.07707 0.03192 2.12938 0.00531 -3.14079 -3.13514 0.00195 -0.00088 3.14109 -3.14132 0.00066 -0.00203 3.13918 -3.13910 0.00211 |Maximum Force|RMS Force|Maximum Displacement|RMS Displacement| 0.000014 0.000002 0.001681 0.000217 0.000450 0.000300 0.001800 0.001200 YES YES YES YES -1.046107e-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 1 1 2 2 3 3 3 4 4 4 5 5 6 6 7 7 7 8 8 9 9 9 10 10 10 11 11 11 12 12 12 13 13 13 14 14 15 15 16 16 17 17 18 18 18 19 19 20 3 4 5 13 6 7 9 5 8 10 6 21 22 23 8 24 25 26 27 11 12 28 29 30 31 32 33 34 35 36 37 14 38 39 15 16 17 18 19 40 20 41 42 43 44 20 45 46 1.4556 1.4508 1.4273 1.4323 1.5492 1.5475 1.5281 1.5473 1.549 1.509 1.5529 1.0964 1.0893 1.0905 1.5512 1.0909 1.0925 1.0917 1.0921 1.5342 1.535 1.0973 1.0907 1.0932 1.0938 1.094 1.0945 1.092 1.0934 1.095 1.094 1.5061 1.0978 1.0978 1.4109 1.397 1.3986 1.5085 1.3951 1.0856 1.3957 1.0856 1.0921 1.0919 1.095 1.3923 1.0846 1.0849 -DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0 A1 A2 A3 A4 A5 A6 A7 A8 A9 A10 A11 A12 A13 A14 A15 A16 A17 A18 A19 A20 A21 A22 A23 A24 A25 A26 A27 A28 A29 A30 A31 A32 A33 A34 A35 A36 A37 A38 A39 A40 A41 A42 A43 A44 A45 A46 A47 A48 A49 A50 A51 A52 A53 A54 A55 A56 A57 A58 A59 A60 A61 A62 A63 A64 A65 A66 A67 A68 A69 A70 A71 A72 A73 A74 A75 A76 A77 A78 A79 A80 A81 A82 A83 A84 A85 A86 A87 A88 A89 A90 A91 A92 3 5 1 1 1 6 6 7 1 1 1 5 5 8 2 2 2 4 4 6 3 3 3 5 5 22 3 3 3 8 8 24 4 4 4 7 7 26 3 3 3 11 11 12 4 4 4 29 29 30 9 9 9 32 32 33 9 9 9 35 35 36 2 2 2 14 14 38 13 13 15 14 14 17 14 14 19 15 15 20 15 15 15 42 42 43 16 16 20 17 17 19 1 2 3 3 3 3 3 3 4 4 4 4 4 4 5 5 5 5 5 5 6 6 6 6 6 6 7 7 7 7 7 7 8 8 8 8 8 8 9 9 9 9 9 9 10 10 10 10 10 10 11 11 11 11 11 11 12 12 12 12 12 12 13 13 13 13 13 13 14 14 14 15 15 15 16 16 16 17 17 17 18 18 18 18 18 18 19 19 19 20 20 20 4 13 6 7 9 7 9 9 5 8 10 8 10 10 4 6 21 6 21 21 5 22 23 22 23 23 8 24 25 24 25 25 7 26 27 26 27 27 11 12 28 12 28 28 29 30 31 30 31 31 32 33 34 33 34 34 35 36 37 36 37 37 14 38 39 38 39 39 15 16 16 17 18 18 19 40 40 20 41 41 42 43 44 43 44 44 20 45 45 19 46 46 98.1669 113.7595 101.8192 101.3846 110.4194 108.0032 117.4443 115.7035 101.695 101.99 111.14 107.7607 116.5709 115.8153 109.0204 112.6992 108.9879 101.5487 111.3064 113.0709 102.4117 110.8468 112.3782 109.3793 113.2128 108.5149 101.6688 112.2644 109.8871 113.2714 111.3916 108.2694 102.34 109.4654 112.0146 111.4822 113.4694 107.9988 113.0668 110.9007 105.8409 110.8779 107.7382 108.1218 111.1118 110.0105 109.8863 109.0629 108.3501 108.3564 111.7358 109.9182 111.5069 107.4298 108.0566 108.032 112.0239 111.0538 110.2851 108.0056 107.6969 107.6041 108.7532 110.1333 109.5383 110.3876 110.5078 107.5129 120.7083 119.5885 119.6991 118.4591 121.2344 120.3065 121.2075 119.0612 119.7313 121.4953 119.0304 119.4743 111.0584 111.0494 111.2092 108.504 106.9553 107.9033 119.3081 120.1715 120.5199 119.8302 119.8624 120.3074 -DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0 D1 D2 D3 D4 D5 D6 D7 D8 D9 D10 D11 D12 D13 D14 D15 D16 D17 D18 D19 D20 D21 D22 D23 D24 D25 D26 D27 D28 D29 D30 D31 D32 D33 D34 D35 D36 D37 D38 D39 D40 D41 D42 D43 D44 D45 D46 D47 D48 D49 D50 D51 D52 D53 D54 D55 D56 D57 D58 D59 D60 D61 D62 D63 D64 D65 D66 D67 D68 D69 D70 D71 D72 D73 D74 D75 D76 D77 D78 D79 D80 D81 D82 D83 D84 D85 D86 D87 D88 D89 D90 D91 D92 D93 D94 D95 D96 D97 D98 D99 D100 D101 D102 D103 D104 D105 D106 D107 D108 D109 D110 D111 D112 D113 D114 D115 D116 D117 D118 D119 D120 D121 D122 D123 D124 D125 D126 D127 D128 D129 D130 D131 D132 D133 D134 D135 D136 D137 4 4 4 3 3 3 13 13 13 5 5 5 1 1 1 7 7 7 9 9 9 1 1 1 6 6 6 9 9 9 1 1 1 6 6 6 7 7 7 1 1 1 8 8 8 10 10 10 1 1 1 5 5 5 10 10 10 1 1 1 5 5 5 8 8 8 2 2 2 4 4 4 21 21 21 3 3 3 24 24 24 25 25 25 3 3 3 12 12 12 28 28 28 3 3 3 11 11 11 28 28 28 2 2 38 38 39 39 13 13 16 16 13 13 15 15 14 14 18 18 14 14 14 17 17 17 14 14 40 40 15 15 41 41 16 16 45 1 1 1 1 1 1 2 2 2 2 2 2 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 5 5 5 5 5 5 5 5 5 7 7 7 7 7 7 7 7 7 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 13 13 13 13 13 13 14 14 14 14 14 14 14 14 15 15 15 15 15 15 15 15 15 15 16 16 16 16 17 17 17 17 19 19 19 3 3 3 4 4 4 5 5 5 13 13 13 6 6 6 6 6 6 6 6 6 7 7 7 7 7 7 7 7 7 9 9 9 9 9 9 9 9 9 5 5 5 5 5 5 5 5 5 8 8 8 8 8 8 8 8 8 10 10 10 10 10 10 10 10 10 6 6 6 6 6 6 6 6 6 8 8 8 8 8 8 8 8 8 11 11 11 11 11 11 11 11 11 12 12 12 12 12 12 12 12 12 14 14 14 14 14 14 15 15 15 15 16 16 16 16 17 17 17 17 18 18 18 18 18 18 19 19 19 19 20 20 20 20 20 20 20 6 7 9 5 8 10 4 6 21 14 38 39 5 22 23 5 22 23 5 22 23 8 24 25 8 24 25 8 24 25 11 12 28 11 12 28 11 12 28 2 6 21 2 6 21 2 6 21 7 26 27 7 26 27 7 26 27 29 30 31 29 30 31 29 30 31 3 22 23 3 22 23 3 22 23 4 26 27 4 26 27 4 26 27 32 33 34 32 33 34 32 33 34 35 36 37 35 36 37 35 36 37 15 16 15 16 15 16 17 18 17 18 19 40 19 40 20 41 20 41 42 43 44 42 43 44 20 45 20 45 19 46 19 46 17 46 17 -54.7944 56.5664 179.7309 56.4652 -54.7835 -178.7994 173.8401 -74.2135 52.167 174.53 53.4447 -64.6017 31.6662 -84.9086 153.4733 -74.5974 168.8277 47.2096 152.3517 35.7768 -85.8413 -35.6685 -157.0327 82.4153 70.898 -50.4662 -171.0182 -155.1338 83.502 -37.05 55.1082 -179.6343 -62.6052 -60.9709 64.2866 -178.6843 169.4989 -65.2436 51.7855 83.7211 -35.426 -156.0236 -169.4769 71.376 -49.2216 -37.2972 -156.4443 82.9582 31.4703 -86.8838 153.3536 -75.1256 166.5204 46.7578 152.2874 33.9334 -85.8293 -59.8022 61.0756 -179.7056 56.0707 176.9485 -63.8327 -175.5539 -54.6761 64.5427 -114.3788 3.2463 124.3861 2.1112 119.7362 -119.1239 121.4609 -120.9141 0.2257 2.5493 119.4651 -118.3343 123.2104 -119.8738 2.3268 -114.4478 2.468 124.6685 66.8006 -174.0268 -54.247 -58.4693 60.7033 -179.5169 -176.6021 -57.4296 62.3503 56.8186 -64.0457 176.7595 -176.7023 62.4334 -56.7614 -58.8027 -179.667 61.1382 -69.9521 109.3038 50.977 -129.7671 169.7777 -10.9663 179.4005 -0.5496 0.1454 -179.8047 -179.5823 0.3514 -0.3188 179.6149 0.0358 179.9685 179.9864 -0.0809 60.9889 -178.1752 -57.9984 -118.9603 1.8756 122.0523 0.3045 -179.9539 -179.6288 0.1128 -0.0494 179.971 -179.9818 0.0386 -0.1188 179.8607 -179.8595 -DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-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 -0.0504441838 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 0 248.19139999999987 AuxInfo=1/0/N:3;4;5;6;7;8;9;10;11;12;13;14;15;16;17;18;19;20;1;2;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/rA:46nO0O0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:2.1151,-.0735,-1.122;-.2852,-.7902,.441;2.5411,.9573,-.2304;2.0127,-1.1392,-.1802;1.038,-.5597,.8611;1.4366,.9312,.8431;3.8062,.3394,.3923;3.4125,-1.1467,.4627;2.7538,2.2698,-.9708;1.604,-2.4317,-.8383;1.527,2.7257,-1.7549;3.2131,3.3601,-.0078;-1.2561,-.382,1.3797;-2.618,-.6825,.8252;-3.134,.0491,-.2553;-3.3693,-1.7122,1.3802;-4.3963,-.2827,-.7391;-2.3608,1.1707,-.8864;-4.6283,-2.0307,.8895;-5.1415,-1.3114,-.1774;1.1954,-1.0191,1.8461;.5863,1.5496,.5474;1.7821,1.2931,1.8114;4.0439,.768,1.3656;4.6713,.4951,-.2562;4.0918,-1.7695,-.1218;3.4002,-1.5462,1.4776;3.5639,2.0979,-1.6898;.6645,-2.3431,-1.3828;2.3711,-2.7652,-1.5389;1.4837,-3.2141,-.0878;.6808,2.9487,-1.1018;1.7528,3.6404,-2.3064;1.2015,1.9824,-2.4827;4.1228,3.083,.527;2.4465,3.5901,.7356;3.4267,4.2837,-.5483;-1.1654,.6896,1.603;-1.1146,-.9114,2.3318;-2.9618,-2.2738,2.213;-4.8063,.2783,-1.5708;-1.4379,.8177,-1.3476;-2.9493,1.664,-1.659;-2.0822,1.9305,-.1529;-5.1995,-2.834,1.3368;-6.1212,-1.5457,-.5745; 0.000000 2.952651 0.000000 1.427945 3.390127 0.000000 1.425878 2.405858 2.162646 0.000000 2.308513 1.407347 2.398363 1.539528 0.000000 2.309031 2.467694 1.540553 2.380268 1.543364 0.000000 2.307281 4.244804 1.539491 2.393884 2.948070 2.483714 0.000000 2.312246 3.714997 2.380435 1.540471 2.478238 2.892543 1.538912 0.000000 2.433535 4.537907 1.521908 3.577119 3.782350 2.611024 2.586994 3.763201 0.000000 2.429532 2.810775 3.568318 1.506861 2.590891 3.763548 3.747367 2.571904 4.841881 0.000000 2.929541 4.524176 2.545577 4.201579 4.228117 3.158872 3.937014 4.844456 1.525622 5.238810 0.000000 3.773209 5.446538 2.504942 4.659899 4.566291 3.127257 3.104353 4.535700 1.525518 6.068284 2.509531 0.000000 4.209343 1.410775 4.336533 3.700223 2.358729 3.043537 5.207963 4.818933 5.351312 4.159437 5.218221 5.991881 0.000000 5.154031 2.366609 5.515406 4.760496 3.658238 4.363910 6.519357 6.059217 6.387285 4.863332 5.954313 7.144071 1.500790 0.000000 5.321512 3.050326 5.747366 5.282572 4.361477 4.782720 6.976375 6.693447 6.333152 5.379834 5.580134 7.163024 2.526901 1.403165 0.000000 6.246968 3.353145 6.682344 5.632828 4.584985 5.511124 7.528148 6.866939 7.673074 5.492995 7.314272 8.425139 2.496969 1.390306 2.415100 0.000000 6.525938 4.307045 7.065704 6.490017 5.671756 6.164347 8.303490 7.947844 7.595551 6.374241 6.720744 8.468036 3.789375 2.401858 1.391983 2.754911 0.000000 4.651557 3.148782 4.950257 4.996141 4.195230 4.179562 6.352830 6.365671 5.232043 5.357134 4.276446 6.052610 2.960752 2.535658 1.501270 3.803352 2.505425 0.000000 7.304115 4.538997 7.847534 6.785427 5.854251 6.749684 8.775324 8.100581 8.743616 6.479817 8.216146 9.557930 3.785526 2.421445 2.805239 1.388340 2.400275 4.306266 0.000000 7.421737 4.923132 8.010790 7.156225 6.311092 7.024375 9.116534 8.579524 8.705746 6.869731 7.953390 9.573461 4.287684 2.787259 2.426394 2.393226 1.388892 3.794146 1.385229 0.000000 3.248049 2.054064 3.166917 2.188235 1.098233 2.206363 3.282605 2.616429 4.602302 3.060782 5.205938 5.165854 2.575604 3.962056 4.929596 4.640483 6.204252 4.990868 5.987888 6.658579 0.000000 2.785435 2.499077 2.185732 3.129482 2.179833 1.092208 3.443396 3.907047 2.742598 4.336654 2.751181 3.238277 2.796116 3.914903 4.090934 5.194177 5.462427 3.299172 6.334636 6.443442 2.942162 0.000000 3.253213 3.239104 2.204086 3.152097 2.211224 1.089893 2.649665 3.229535 3.104681 4.574562 3.851777 3.103195 3.496167 4.923018 5.475962 5.979505 6.867333 4.945361 7.279500 7.659945 2.385760 1.758837 0.000000 3.258307 4.692970 2.200292 3.186314 3.324517 2.664136 1.089741 2.209005 3.062491 4.587807 4.461496 3.048874 5.423363 6.839317 7.393603 7.817073 8.761834 6.800999 9.125058 9.543358 3.396822 3.638064 2.364365 0.000000 2.758148 5.167748 2.179914 3.121701 3.944864 3.444196 1.092332 2.190138 2.708806 4.279385 4.136275 3.224428 6.211304 7.462579 7.818022 8.497150 9.113702 7.092579 9.704430 9.978025 4.335271 4.294846 3.641387 1.760237 0.000000 2.790015 4.520424 3.138733 2.173343 3.428597 3.908333 2.189307 1.091297 4.339054 2.672253 5.426991 5.205600 5.725367 6.862899 7.452292 7.610974 8.639357 7.131979 8.782454 9.244788 3.581156 4.873702 4.295522 2.941671 2.341394 0.000000 3.252416 3.902391 3.150055 2.199800 2.633106 3.224306 2.213173 1.090722 4.579845 3.061619 5.675171 5.129699 4.800697 6.114776 6.945753 6.772238 8.203356 6.794055 8.064633 8.703715 2.296690 4.285773 3.285077 2.404682 2.964548 1.756702 0.000000 2.671452 5.262841 2.115871 3.894112 4.466585 3.507514 2.736132 3.896635 1.096733 5.008349 2.132430 2.132033 6.229338 7.229896 7.149595 8.485956 8.362762 6.050423 9.529481 9.470735 5.275298 3.764591 4.010139 3.366699 2.418848 4.206452 4.831039 0.000000 2.706100 2.576774 3.967626 2.170955 2.890510 4.033817 4.496289 3.519788 5.080704 1.089479 5.155115 6.396277 3.894322 4.290378 4.628411 4.929870 5.501879 4.663174 5.768441 6.018857 3.529954 4.345636 4.967240 5.352785 5.037731 3.696661 4.037388 5.312537 0.000000 2.735754 3.857050 3.949393 2.149022 3.521549 4.495621 3.927728 2.776783 5.081379 1.091094 5.559607 6.369663 5.230132 5.900623 6.314557 6.525482 7.252543 6.189306 7.445035 7.772118 3.986126 5.114244 5.295369 4.870044 4.191106 2.441363 3.412286 5.009505 1.764939 0.000000 3.366260 3.047051 4.305750 2.143321 2.854004 4.248882 4.272251 2.880633 5.697974 1.090824 6.169548 6.798419 4.204915 4.905789 5.656835 5.287948 6.602355 5.885947 6.301797 6.893562 2.939641 4.888998 4.900159 4.952220 4.893631 2.981669 2.984204 5.925509 1.762580 1.759140 0.000000 3.345279 4.158400 2.861032 4.396983 4.035966 2.902390 4.336895 5.165419 2.185168 5.465308 1.091945 2.788976 4.582870 5.270698 4.865834 6.654885 6.029135 3.529773 7.546273 7.273390 4.969743 2.164714 3.527055 4.706717 4.760165 5.903880 5.852517 3.062945 5.299193 5.974594 6.297039 0.000000 3.915014 5.597494 3.482860 5.237637 5.308955 4.166448 4.732490 5.774001 2.159662 6.248829 1.091654 2.737623 6.230611 6.899092 6.401912 8.275108 7.460463 5.003780 9.115574 8.751246 6.266228 3.725087 4.739922 5.194552 4.755472 6.285744 6.628247 2.457568 6.151382 6.480973 7.209679 1.754621 0.000000 2.629300 4.294887 2.814009 3.962862 4.203646 3.495980 4.213111 4.832806 2.185891 4.727649 1.090057 3.474211 5.152537 5.712449 5.243567 7.033115 6.285376 3.987124 7.839869 7.509797 5.267709 3.122104 4.387709 4.935982 4.382899 5.291979 5.741953 2.494634 4.495349 4.979827 5.728844 1.764006 1.756131 0.000000 4.088212 5.868490 2.755670 4.772760 4.785010 3.456247 2.765092 4.289340 2.186070 6.214464 3.474583 1.091040 6.454903 7.726911 7.904194 8.936036 9.246896 6.905904 10.142134 10.277812 5.209291 3.854677 3.214359 2.463445 2.758917 4.895738 4.780707 2.489381 6.711829 6.444913 6.855397 3.810234 3.735734 4.336343 0.000000 4.120969 5.170663 2.806015 4.836621 4.384093 2.846249 3.540348 4.841977 2.179285 6.280806 2.791950 1.092296 5.468259 6.626578 6.682920 7.896407 7.999789 5.620890 9.037145 9.079409 4.903424 2.767563 2.622027 3.303471 3.938638 5.671621 5.276565 3.059039 6.547144 6.750416 6.921178 2.627678 3.120432 3.806849 1.763703 0.000000 4.586381 6.364086 3.456926 5.616301 5.581305 4.139571 4.072687 5.523732 2.164954 6.964395 2.737123 1.091247 6.885861 7.942764 7.814065 9.265845 9.060222 6.580320 10.335499 10.239966 6.231559 4.091944 4.149319 4.050233 3.998554 6.104558 6.171979 2.469726 7.227732 7.195985 7.759206 3.102964 2.511273 3.740251 1.755764 1.757927 0.000000 4.332414 2.077184 4.143907 4.077345 2.639385 2.721446 5.128943 5.062621 4.947937 4.834480 4.761413 5.375677 1.098389 2.144179 2.781836 3.267312 4.107206 2.803112 4.461036 4.794060 2.924487 2.218651 3.015878 5.215314 6.128828 6.054797 5.085271 5.932358 4.632574 5.857825 5.011607 3.978431 5.701469 4.895620 5.903490 4.712886 6.215597 0.000000 4.802229 2.068202 4.839567 4.017680 2.630638 3.481348 5.435129 4.903442 5.999323 4.444247 6.075212 6.515251 1.098545 2.140667 3.419564 2.574947 4.538138 4.030454 3.959725 4.761492 2.362985 3.483326 3.677152 5.510334 6.492524 5.819173 4.638568 6.864235 4.360362 5.528881 4.231822 5.469266 7.103065 6.076024 6.829517 5.957578 7.477145 1.759803 0.000000 6.460526 3.536261 6.833223 5.635645 4.556801 5.611988 7.479984 6.705710 7.965510 5.493842 7.803173 8.648836 2.680035 2.139302 3.393833 1.083925 3.838832 4.672420 2.141993 3.375069 4.357927 5.475530 5.948828 7.684423 8.486973 7.447094 6.445613 8.770919 5.107341 6.538997 5.093234 7.178471 8.810796 7.582771 9.040398 8.112799 9.562364 3.518613 2.298340 0.000000 6.944862 5.062535 7.499546 7.102246 6.385365 6.725120 8.833667 8.585787 7.841008 6.998075 6.792312 8.732227 4.663152 3.384142 2.140049 3.838698 1.083802 2.691706 3.378732 2.140329 7.027082 5.931520 7.475036 9.337471 9.570864 9.244983 8.942528 8.566576 6.069361 7.796122 7.345801 6.120446 7.407235 6.311062 9.591449 8.300026 9.212573 4.847493 5.502193 4.922623 0.000000 3.669971 2.667020 4.135238 4.135049 3.592456 3.615878 5.545867 5.537394 4.452018 4.480085 3.549246 5.467203 2.984998 2.892051 2.158805 4.191873 3.214551 1.090426 4.826680 4.429364 4.528601 2.867687 4.535768 6.116649 6.214319 6.226842 6.080864 5.174350 3.796311 5.232805 5.136012 3.014992 4.366605 3.100211 6.290166 5.207071 6.026262 2.965899 4.078231 4.955554 3.418672 0.000000 5.380961 4.186891 5.717060 5.887741 5.214808 5.102267 7.183243 7.271462 5.776244 6.179036 4.601474 6.601335 4.035628 3.433179 2.147625 4.562043 2.594224 1.089306 4.792166 3.981747 6.055055 4.169054 5.879341 7.671688 7.836303 7.982998 7.775567 6.527667 5.402993 6.923757 6.776139 3.890797 5.141440 4.243630 7.536943 6.209463 6.982044 3.843453 5.091654 5.522564 2.318792 1.759948 0.000000 4.751030 3.314189 4.725316 5.117785 4.118879 3.791122 6.123948 6.327744 4.916387 5.752076 4.028085 5.486818 2.894633 2.840987 2.157798 4.156491 3.255272 1.092197 4.822889 4.457552 4.841443 2.785011 4.381514 6.417659 6.905186 7.197855 6.693519 5.853951 5.226873 6.618312 6.259966 3.093771 4.718942 4.026567 6.347634 4.904364 6.003507 2.337444 3.896976 4.903787 3.487231 1.755131 1.758101 0.000000 8.195649 5.397170 8.760570 7.562328 6.656211 7.645779 9.595060 8.819181 9.727733 7.154027 9.258282 10.533130 4.643724 3.399287 3.887657 2.147078 3.385784 5.388704 1.082439 2.148146 6.666937 7.301659 8.124079 9.920429 10.538185 9.465103 8.696715 10.501495 6.482544 8.098631 6.843881 8.600243 10.174738 8.874643 11.071178 10.004577 11.341379 5.362868 4.623055 2.467527 4.277284 5.889892 5.854130 5.885347 0.000000 8.384719 5.971647 9.023296 8.153576 7.368018 8.078664 10.150968 9.598307 9.668544 7.780333 8.839365 10.560181 5.370445 3.869973 3.401330 3.379580 2.144198 4.649353 2.146372 1.082768 7.724624 7.471922 8.730013 10.604055 10.988408 10.225479 9.740040 10.407763 6.880063 8.633468 7.800970 8.169770 9.586202 8.349305 11.294999 10.074610 11.186831 5.856414 5.823623 4.275712 2.459370 5.302557 4.641108 5.345557 2.482401 0.000000 C18H26O2 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 0 248.19139999999987 AuxInfo=1/0/N:3;4;5;6;7;8;9;10;11;12;13;14;15;16;17;18;19;20;1;2;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/rA:46nO0O0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:-2.028,-.3694,1.1372;.5895,-.7794,-.1661;-2.6662,.1556,-.0274;-1.5476,-1.5919,.5825;-.7072,-1.0995,-.6096;-1.5229,.1309,-1.0597;-3.6447,-.9751,-.3935;-2.831,-2.2189,.0053;-3.3081,1.5053,.2601;-.8319,-2.4306,1.6097;-2.3313,2.5284,.8316;-3.9898,2.0517,-.9905;1.4685,-.4108,-1.2062;2.812,-.1004,-.6138;3.008,1.0497,.1657;3.871,-.9756,-.8272;4.2712,1.2798,.7032;1.8956,2.0247,.4224;5.1267,-.7322,-.2873;5.3245,.4017,.4834;-.6478,-1.8669,-1.3931;-.9149,1.0359,-.9947;-1.8835,.053,-2.0853;-3.9214,-.9619,-1.4475;-4.5647,-.8934,.1896;-3.3421,-2.8033,.7722;-2.6249,-2.8904,-.8291;-4.0857,1.3298,1.0133;-.0037,-1.8994,2.0774;-1.52,-2.7445,2.3961;-.4317,-3.333,1.1456;-1.5393,2.781,.1237;-2.8554,3.4566,1.0672;-1.8602,2.1817,1.7515;-4.7354,1.3624,-1.3896;-3.2687,2.2588,-1.7844;-4.504,2.9882,-.7683;1.0869,.4592,-1.7577;1.5608,-1.2262,-1.9365;3.71,-1.8629,-1.4286;4.4349,2.1671,1.3037;1.0829,1.5721,.9914;2.2537,2.8862,.9846;1.4649,2.3987,-.5091;5.9396,-1.4239,-.467;6.2965,.6081,.9135; 0.6649460 0.1906078 0.1663298 -19.12582 -19.11938 -10.21870 -10.21567 -10.21414 -10.21326 -10.18002 -10.17514 -10.16964 -10.16942 -10.16758 -10.16726 -10.16656 -10.15764 -10.15617 -10.15600 -10.15455 -10.15078 -10.14990 -10.14588 -1.06471 -1.04031 -0.86463 -0.81288 -0.80143 -0.77691 -0.76589 -0.75233 -0.73973 -0.69237 -0.67925 -0.67464 -0.66480 -0.60604 -0.59929 -0.59686 -0.57271 -0.55877 -0.54533 -0.51000 -0.50122 -0.49247 -0.48516 -0.47693 -0.45583 -0.44504 -0.44243 -0.43391 -0.42702 -0.41683 -0.41294 -0.40989 -0.40629 -0.40149 -0.39608 -0.38629 -0.37917 -0.37276 -0.36947 -0.36330 -0.35820 -0.35559 -0.35125 -0.33858 -0.33764 -0.33167 -0.32990 -0.32382 -0.31472 -0.30904 -0.29839 -0.27013 -0.25719 -0.25435 -0.24548 -0.01556 -0.01013 0.00523 0.01329 0.01585 0.02199 0.02477 0.03059 0.03712 0.03927 0.04365 0.04622 0.04771 0.05732 0.05864 0.06151 0.06575 0.06973 0.07205 0.07404 0.07836 0.08531 0.08754 0.09279 0.09501 0.09743 0.09980 0.10283 0.10482 0.10916 0.11230 0.11575 0.12046 0.12553 0.12772 0.13048 0.13634 0.13803 0.13978 0.14225 0.14828 0.15009 0.15336 0.15723 0.15930 0.16437 0.16584 0.16846 0.17136 0.17367 0.17516 0.17773 0.18294 0.18521 0.18740 0.19211 0.19320 0.19673 0.19703 0.20045 0.20553 0.20823 0.21339 0.21562 0.21596 0.21769 0.22042 0.22283 0.22341 0.22524 0.22864 0.23060 0.23316 0.23512 0.23775 0.24065 0.24267 0.24723 0.25108 0.25408 0.25627 0.26062 0.26271 0.26575 0.26787 0.27061 0.27170 0.27723 0.28195 0.28447 0.28502 0.29120 0.29533 0.29612 0.29768 0.30125 0.30449 0.30877 0.31386 0.31854 0.32038 0.32665 0.32884 0.33555 0.33868 0.33939 0.34265 0.35340 0.35552 0.35975 0.36577 0.36877 0.37407 0.37622 0.38056 0.38521 0.38854 0.39058 0.40341 0.40549 0.40778 0.41673 0.42345 0.42421 0.43849 0.43924 0.44877 0.45280 0.46927 0.47248 0.48459 0.49650 0.50928 0.52257 0.52676 0.52902 0.53471 0.54493 0.55263 0.55545 0.55676 0.56181 0.56949 0.57141 0.57462 0.58150 0.58654 0.59195 0.59601 0.60190 0.60481 0.60960 0.61844 0.62098 0.63046 0.63825 0.64445 0.64776 0.64914 0.66105 0.66390 0.67081 0.67336 0.67749 0.68086 0.68249 0.69050 0.69211 0.69616 0.69914 0.70184 0.70809 0.71134 0.71517 0.71794 0.72383 0.72417 0.72940 0.73432 0.73521 0.73787 0.74412 0.74905 0.75217 0.75692 0.76389 0.77136 0.77905 0.77989 0.78641 0.79260 0.80311 0.80518 0.81548 0.81844 0.82444 0.82858 0.83358 0.84720 0.85578 0.86366 0.86682 0.87057 0.87858 0.89186 0.91608 0.92794 0.93319 0.94450 0.95884 0.96512 0.97053 0.97922 0.99515 1.00041 1.00527 1.01858 1.02420 1.03451 1.04064 1.05513 1.07207 1.07930 1.08729 1.11062 1.11535 1.12421 1.13365 1.14913 1.15868 1.17262 1.18364 1.19844 1.21585 1.22552 1.24340 1.24914 1.25305 1.28030 1.28728 1.32038 1.32595 1.33151 1.34293 1.37624 1.38816 1.40246 1.42584 1.43669 1.45117 1.46048 1.46493 1.46746 1.47544 1.48161 1.48640 1.49637 1.50304 1.50865 1.51307 1.51791 1.52462 1.52829 1.53481 1.54235 1.54356 1.55239 1.55839 1.56527 1.57578 1.57956 1.58570 1.58803 1.59296 1.59937 1.60900 1.61431 1.61605 1.62552 1.63295 1.64185 1.65126 1.65653 1.66030 1.67030 1.67418 1.68429 1.68692 1.69650 1.71336 1.71593 1.72155 1.72567 1.73107 1.73573 1.74293 1.75338 1.75614 1.76024 1.76602 1.77059 1.78647 1.79233 1.79940 1.80208 1.81395 1.82310 1.82758 1.83783 1.84658 1.85296 1.85662 1.86701 1.87079 1.88228 1.89065 1.90452 1.90794 1.91649 1.92461 1.93396 1.94105 1.94518 1.94969 1.95448 1.96089 1.97860 1.98182 1.98707 1.99584 2.01433 2.03659 2.04695 2.05096 2.06228 2.06599 2.08319 2.08894 2.10596 2.10841 2.12909 2.13862 2.14195 2.15596 2.16523 2.17233 2.17378 2.18587 2.19449 2.21049 2.22854 2.23623 2.26080 2.26481 2.28356 2.29186 2.30825 2.31803 2.32802 2.33732 2.34961 2.37571 2.39088 2.39537 2.39880 2.40867 2.41224 2.42116 2.43269 2.44368 2.46746 2.48040 2.48506 2.49236 2.51299 2.51442 2.52194 2.52961 2.53072 2.53911 2.54430 2.54916 2.56426 2.57019 2.57123 2.58858 2.59891 2.60752 2.61450 2.64138 2.64704 2.65655 2.66354 2.66940 2.67408 2.68546 2.69074 2.69769 2.70423 2.71857 2.72109 2.73531 2.74075 2.74257 2.75509 2.75809 2.76931 2.77235 2.78235 2.78381 2.79840 2.81133 2.83061 2.83708 2.84034 2.85236 2.86760 2.87122 2.90185 2.90745 2.91074 2.92795 2.94205 2.94356 2.95312 2.96107 2.97188 2.98560 2.99282 3.00434 3.01989 3.04319 3.06172 3.07390 3.08519 3.10791 3.12029 3.13632 3.14552 3.16462 3.17599 3.19746 3.19984 3.22104 3.24212 3.26024 3.27673 3.29424 3.31540 3.32541 3.33756 3.36676 3.38506 3.40361 3.41135 3.44209 3.48238 3.55444 3.59161 3.60532 3.65962 3.67611 3.72947 3.74648 3.79483 3.81711 3.82035 3.82777 3.83975 3.84569 3.85196 3.86298 3.86777 3.90135 3.98510 4.04933 4.06062 4.07031 4.10086 4.12510 4.15662 4.18408 4.20086 4.21048 4.26039 4.32373 4.33261 4.33522 4.35125 4.41166 4.48050 4.51656 4.87123 5.20525 5.25528 5.47346 5.54951 5.70317 5.80284 23.59547 23.80692 23.84354 23.86278 23.90137 23.93289 23.95158 23.96423 23.98502 23.99496 23.99959 24.00914 24.02103 24.03886 24.06074 24.11043 24.12334 24.22000 49.99760 50.03101 1-A. -1.4305 -0.3013 -3.3748 3.6778 -117.5179 -116.4794 -124.7034 1.0175 4.7431 4.2081 2.0490 3.0875 -5.1365 1.0175 4.7431 4.2081 -0.6959 -11.6716 -5.2441 -4.0671 -8.6514 9.3334 -5.6946 -5.6966 2.3897 14.9061 -6612.4202 -1815.8963 -714.2429 -60.2656 94.8676 7.9131 18.2644 6.0315 5.4910 -1416.4405 -1319.7407 -410.7975 79.4620 -10.9642 11.9728 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 248.19139999999987 AuxInfo=1/0/N:3;4;5;6;7;8;9;10;11;12;13;14;15;16;17;18;19;20;1;2;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/rA:46nO0O0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:2.1095,-.127,-1.1145;-.2585,-.8779,.4883;2.5185,.9581,-.2346;2.0647,-1.1881,-.1261;1.0769,-.607,.9134;1.4266,.9052,.8632;3.8269,.3889,.3644;3.4869,-1.1199,.484;2.6617,2.259,-1.0234;1.683,-2.5043,-.7576;1.393,2.6336,-1.8004;3.1017,3.4093,-.1073;-1.2558,-.5061,1.4468;-2.6164,-.7133,.8349;-3.0729,.1221,-.2064;-3.4279,-1.7537,1.2937;-4.3389,-.1204,-.7489;-2.2236,1.2529,-.7314;-4.6903,-1.9815,.7453;-5.1453,-1.1597,-.2824;1.2332,-1.0514,1.9034;.5456,1.4701,.5611;1.7786,1.2969,1.818;4.0792,.8508,1.3199;4.656,.557,-.3268;4.1677,-1.7315,-.1111;3.5101,-1.491,1.5109;3.4606,2.0799,-1.7541;.7016,-2.4436,-1.2296;2.4241,-2.7872,-1.5098;1.6503,-3.2875,.0054;.5664,2.8852,-1.1294;1.5848,3.51,-2.4274;1.0658,1.8186,-2.4496;4.037,3.1847,.4126;2.3383,3.6251,.6476;3.2566,4.3213,-.6913;-1.1246,.5433,1.741;-1.1432,-1.1191,2.3504;-3.0638,-2.3941,2.0911;-4.6996,.5171,-1.5502;-1.285,.879,-1.1459;-2.7491,1.8092,-1.5102;-1.9626,1.9559,.0666;-5.3066,-2.7938,1.1148;-6.1235,-1.3237,-.7222; 0.000000 2.956378 0.000000 1.455634 3.406611 0.000000 1.450837 2.422996 2.196318 0.000000 2.325744 1.427341 2.417757 1.547282 0.000000 2.332958 2.481796 1.549204 2.401565 1.552861 0.000000 2.324411 4.279087 1.547489 2.415158 2.975875 2.505328 0.000000 2.331999 3.753225 2.402527 1.549043 2.501174 2.913685 1.551250 0.000000 2.450745 4.544532 1.528120 3.611669 3.804824 2.630087 2.604060 3.790799 0.000000 2.441510 2.822601 3.599974 1.508955 2.599951 3.783811 3.771752 2.590802 4.870083 0.000000 2.933364 4.505105 2.554612 4.226101 4.238632 3.175407 3.955928 4.867415 1.534198 5.250668 0.000000 3.808485 5.479576 2.522896 4.712983 4.612191 3.165190 3.141882 4.583875 1.535000 6.116126 2.527552 0.000000 4.246057 1.432278 4.383644 3.736930 2.395007 3.086723 5.273203 4.878241 5.393941 4.181934 5.236229 6.060850 0.000000 5.145664 2.388915 5.504948 4.802239 3.695636 4.355016 6.553808 6.126904 6.336088 4.922262 5.849908 7.111986 1.506137 0.000000 5.267214 3.066485 5.653594 5.302606 4.359580 4.690686 6.928497 6.711932 6.174063 5.460787 5.365827 6.995795 2.535605 1.410868 0.000000 6.253661 3.385391 6.711873 5.701240 4.663974 5.551709 7.621460 6.990853 7.652068 5.558090 7.215460 8.441310 2.509552 1.396989 2.427991 0.000000 6.458782 4.330659 6.960748 6.521840 5.686048 6.073882 8.257116 7.985176 7.399018 6.476647 6.445499 8.260364 3.804654 2.413952 1.398579 2.769515 0.000000 4.563569 3.144734 4.777119 4.971314 4.130048 3.998400 6.209308 6.302126 4.996317 5.420197 4.016012 5.779116 2.962263 2.544295 1.508523 3.819853 2.522097 0.000000 7.289330 4.574329 7.846492 6.856951 5.931050 6.764834 8.849062 8.226576 8.669564 6.568862 8.048929 9.513297 3.803177 2.432560 2.819025 1.395058 2.412473 4.327432 0.000000 7.375012 4.955228 7.951166 7.211736 6.360101 6.983261 9.127818 8.666257 8.554859 6.975631 7.709871 9.429724 4.306400 2.800524 2.437971 2.405497 1.395734 3.815591 1.392338 0.000000 3.275704 2.063426 3.203303 2.197490 1.096390 2.224365 3.342212 2.664370 4.643898 3.065030 5.227163 5.237594 2.588635 4.009413 4.936665 4.752970 6.241020 4.919465 6.106838 6.743484 0.000000 2.793558 2.482886 2.188055 3.137794 2.172649 1.089264 3.460424 3.919847 2.758791 4.339182 2.765631 3.277355 2.816901 3.852316 3.936950 5.168989 5.301369 3.063666 6.273897 6.325634 2.938095 0.000000 3.276674 3.263037 2.208057 3.168071 2.221571 1.090475 2.670777 3.246397 3.127186 4.592642 3.876692 3.149560 3.549143 4.931862 5.386568 6.057127 6.783943 4.745373 7.331081 7.641120 2.412324 1.769185 0.000000 3.280607 4.742995 2.205424 3.210398 3.362244 2.692224 1.090868 2.221150 3.079535 4.616846 4.486747 3.088409 5.506405 6.893002 7.349394 7.946182 8.722911 6.640397 9.233452 9.576112 3.472626 3.666852 2.395866 0.000000 2.751948 5.184211 2.176808 3.130628 3.962766 3.459265 1.092505 2.199142 2.712848 4.289090 4.139023 3.255772 6.263071 7.473402 7.742088 8.562462 9.030325 6.926543 9.744059 9.950650 4.390553 4.303239 3.664380 1.769398 0.000000 2.795965 4.547470 3.157358 2.172156 3.444958 3.926186 2.199633 1.091652 4.361687 2.681247 5.441205 5.250183 5.774378 6.925037 7.474702 7.724479 8.681347 7.080945 8.902781 9.332134 3.623892 4.880743 4.312878 2.953675 2.349913 0.000000 3.273330 3.952712 3.166662 2.204675 2.656901 3.240686 2.224541 1.092137 4.604854 3.084035 5.697280 5.176689 4.867054 6.212566 6.991913 6.946385 8.282083 6.740297 8.250618 8.845439 2.351967 4.296290 3.296183 2.417533 2.980673 1.766710 0.000000 2.665479 5.254344 2.110636 3.908786 4.474000 3.516641 2.735265 3.904881 1.097346 5.016736 2.140976 2.146679 6.259169 7.171764 6.993868 8.452019 8.166017 5.834315 9.443396 9.312454 5.305045 3.772135 4.025177 3.367882 2.405281 4.210191 4.838723 0.000000 2.713347 2.514909 3.982820 2.156897 2.847265 4.014953 4.509091 3.527988 5.098940 1.090706 5.155745 6.424750 3.840362 4.273809 4.677238 4.888331 5.570957 4.740155 5.760688 6.060685 3.469432 4.306761 4.943656 5.363049 5.045447 3.711097 4.038038 5.324392 0.000000 2.707756 3.851562 3.957541 2.145000 3.527132 4.501061 3.945663 2.807954 5.075137 1.093213 5.525603 6.389303 5.242757 5.933431 6.354507 6.570674 7.309567 6.207184 7.506561 7.839092 4.010186 5.093317 5.307651 4.897160 4.191012 2.472042 3.461824 4.982191 1.778658 0.000000 3.384308 3.111767 4.340049 2.143906 2.887679 4.285349 4.287454 2.881065 5.731021 1.093844 6.195635 6.853210 4.273081 5.051691 5.829124 5.458983 6.816948 6.013715 6.515798 7.126764 2.962562 4.915649 4.931417 4.975289 4.891286 2.961758 2.992141 5.931364 1.771254 1.773356 0.000000 3.384509 4.178346 2.885386 4.454635 4.077902 2.937859 4.369707 5.212839 2.189452 5.516560 1.093992 2.783402 4.632346 5.190196 4.661670 6.583772 5.765472 3.256809 7.404885 7.049989 5.013983 2.204788 3.560861 4.741121 4.773914 5.943119 5.898131 3.068406 5.331525 5.980992 6.369073 0.000000 3.902132 5.581427 3.491772 5.253421 5.326181 4.199722 4.750012 5.790508 2.166992 6.242573 1.094513 2.773841 6.261566 6.791790 6.172864 8.165795 7.147521 4.740707 8.921801 8.467633 6.299671 3.764608 4.791538 5.228352 4.750293 6.285665 6.650292 2.452999 6.136787 6.418784 7.219973 1.764116 0.000000 2.580171 4.201964 2.785162 3.929006 4.146522 3.455269 4.193632 4.806513 2.185102 4.683145 1.092011 3.487348 5.096694 5.545942 5.003909 6.853311 5.988624 3.753990 7.601385 7.221183 5.216713 3.075153 4.358081 4.922047 4.357483 5.262468 5.710821 2.507353 4.448375 4.893043 5.695698 1.769149 1.769294 0.000000 4.124864 5.912829 2.771738 4.827163 4.836302 3.494769 2.804065 4.340168 2.193306 6.267019 3.491771 1.093426 6.534976 7.722735 7.766168 8.993859 9.079060 6.650980 10.147211 10.181935 5.294192 3.892551 3.261826 2.504341 2.799036 4.945700 4.831710 2.499465 6.745358 6.477678 6.910207 3.809584 3.766292 4.345832 0.000000 4.151555 5.200531 2.814913 4.882666 4.424053 2.876752 3.573393 4.884793 2.182433 6.322488 2.805284 1.095034 5.533863 6.588312 6.502399 7.911929 7.782305 5.323485 8.991365 8.931038 4.966714 2.804530 2.665295 3.343573 3.966702 5.711001 5.319088 3.068403 6.559898 6.766037 6.976363 2.616259 3.168027 3.804589 1.770564 0.000000 4.613276 6.385829 3.473428 5.665136 5.622640 4.175532 4.111400 5.571447 2.171948 7.004989 2.748072 1.093971 6.945314 7.884700 7.611223 9.248184 8.799089 6.280838 10.244121 10.039944 6.300219 4.128862 4.198593 4.094600 4.032538 6.148414 6.220635 2.489004 7.251363 7.203732 7.807628 3.080829 2.543091 3.762239 1.766234 1.766486 0.000000 4.366020 2.083023 4.164958 4.081062 2.618071 2.722146 5.141582 5.060846 4.992118 4.838743 4.821708 5.430605 1.097790 2.150719 2.786691 3.283574 4.119740 2.797126 4.481119 4.812539 2.851053 2.245101 3.000352 5.229877 6.139346 6.050910 5.066713 5.966577 4.591432 5.852621 5.038596 4.072257 5.789391 4.897485 5.948409 4.762828 6.275654 0.000000 4.854838 2.075609 4.940108 4.053133 2.693642 3.593529 5.560548 4.992098 6.105019 4.423292 6.143634 6.675772 1.097755 2.152204 3.435382 2.596047 4.562510 4.036251 3.987749 4.790670 2.418948 3.571763 3.828470 5.675928 6.603607 5.885541 4.742987 6.948002 4.239576 5.514447 4.243168 5.573767 7.190112 6.045684 7.008007 6.126015 7.629425 1.770732 0.000000 6.494477 3.568958 6.914320 5.715891 4.661098 5.705860 7.629426 6.864260 8.008284 5.537055 7.764289 8.747915 2.692280 2.145545 3.407331 1.085580 3.855075 4.687542 2.151000 3.389674 4.505777 5.504593 6.094813 7.883364 8.611104 7.588387 6.660968 8.795973 5.020715 6.575561 5.231743 7.170881 8.768361 7.444391 9.184872 8.215683 9.632539 3.537181 2.319847 0.000000 6.853368 5.081850 7.350275 7.119814 6.379723 6.595877 8.739793 8.592847 7.582909 7.105983 6.454569 8.444386 4.678522 3.397415 2.146660 3.855113 1.085605 2.709745 3.393028 2.148880 7.041735 5.733960 7.343035 9.242159 9.435401 9.260501 8.989016 8.310993 6.167805 7.852870 7.564154 5.789293 7.015720 5.978570 9.343321 8.001388 8.860648 4.859389 5.526364 4.940676 0.000000 3.540507 2.609756 3.911909 4.066074 3.468003 3.374844 5.352800 5.424271 4.182760 4.517317 3.267759 5.169554 2.939599 2.869077 2.156889 4.180315 3.237757 1.092075 4.832708 4.450175 4.400660 2.571830 4.283084 5.903874 6.005840 6.133264 5.972254 4.932762 3.872085 5.227843 5.224992 2.729994 4.098756 2.847599 6.005731 4.887312 5.716827 2.910761 4.029488 4.935123 3.457503 0.000000 5.245100 4.173421 5.486252 5.837119 5.133189 4.887371 6.983916 7.172442 5.451206 6.230257 4.233234 6.225775 4.041552 3.446739 2.156624 4.584452 2.613507 1.091874 4.819236 4.007957 5.974470 3.906446 5.642622 7.453454 7.602914 7.895311 7.693861 6.220335 5.483829 6.920164 6.901285 3.506445 4.745122 3.928878 7.186126 5.816777 6.561209 3.848596 5.104752 5.544022 2.340023 1.772481 0.000000 4.723924 3.333467 4.600745 5.112828 4.064939 3.636673 6.005236 6.271532 4.760712 5.819212 3.899381 5.271646 2.909612 2.853432 2.160997 4.173008 3.259248 1.095019 4.837743 4.467429 4.757186 2.602270 4.183100 6.268663 6.776325 7.156080 6.627033 5.722017 5.304144 6.650211 6.367883 2.947914 4.606453 3.939765 6.133976 4.649933 5.780144 2.345461 3.917012 4.922750 3.489309 1.757604 1.768149 0.000000 8.190286 5.435730 8.782400 7.645556 6.750715 7.686528 9.701265 8.973655 9.674581 7.241864 9.101662 10.520130 4.663996 3.412400 3.903607 2.154869 3.399645 5.412030 1.084600 2.156099 6.813748 7.261986 8.211517 10.070780 10.609500 9.612233 8.921287 10.433015 6.458934 8.164141 7.062135 8.472381 9.988855 8.636473 11.114856 9.993321 11.279031 5.386873 4.654668 2.478547 4.293423 5.896987 5.883878 5.902630 0.000000 8.328686 6.005140 8.951386 8.210913 7.418453 8.030221 10.154958 9.687891 9.492355 7.895279 8.562632 10.386670 5.391333 3.885421 3.415011 3.393343 2.152476 4.674178 2.154141 1.084941 7.815882 7.343588 8.704150 10.629849 10.949458 10.317350 9.890401 10.222640 6.934890 8.707624 8.050908 7.914210 9.256814 8.033913 11.173557 9.897878 10.947699 5.877223 5.855440 4.292077 2.470103 5.333117 4.671429 5.356317 2.490645 0.000000 C18H26O2 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 0 248.19139999999987 AuxInfo=1/0/N:3;4;5;6;7;8;9;10;11;12;13;14;15;16;17;18;19;20;1;2;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/rA:46nO0O0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:-2.0136,-.3859,1.1426;.5826,-.8877,-.1795;-2.6411,.2035,-.0312;-1.602,-1.6431,.5468;-.7398,-1.1589,-.6432;-1.4987,.1253,-1.0747;-3.6912,-.875,-.3902;-2.9374,-2.1807,-.0251;-3.1987,1.587,.3004;-.9179,-2.5274,1.5603;-2.1458,2.5337,.8912;-3.8713,2.2152,-.9281;1.5061,-.5649,-1.2257;2.821,-.1702,-.6061;2.9482,1.0431,.1025;3.9216,-1.0228,-.7219;4.1875,1.357,.6695;1.7813,1.9874,.2526;5.1528,-.6949,-.1539;5.2835,.5015,.5462;-.692,-1.9161,-1.4347;-.8345,.9842,-.9873;-1.8732,.08,-2.0978;-3.9899,-.8284,-1.4383;-4.5837,-.7445,.2263;-3.464,-2.7435,.748;-2.7798,-2.8448,-.8777;-3.9686,1.4243,1.0652;-.0301,-2.0429,1.9687;-1.6053,-2.7607,2.3777;-.6119,-3.4659,1.089;-1.3739,2.7887,.159;-2.6199,3.4683,1.2068;-1.6545,2.0931,1.7613;-4.6658,1.5805,-1.33;-3.1437,2.3934,-1.7268;-4.3167,3.1792,-.6652;1.1108,.2554,-1.8389;1.6361,-1.4351,-1.8821;3.8104,-1.9567,-1.264;4.2959,2.2885,1.2164;.9554,1.5092,.7834;2.0718,2.8857,.8011;1.3957,2.299,-.7237;5.9965,-1.369,-.2547;6.2329,.7716,.9964; 0.6464763 0.1936814 0.1667626 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= 616 616 616 616 616 MxSgAt= 46 MxSgA2= 46. 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= 596 RedAO= T EigKep= 1.04D-06 NBF= 596 NBsUse= 595 1.00D-06 EigRej= 5.10D-07 NBFU= 595 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= 616 616 616 616 616 MxSgAt= 46 MxSgA2= 46. 1 -5.62815558e-01 -1.18527007e-01 -1.32774327e+00 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 8 8 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 -0.002578702 -0.000451598 -0.017022381 -0.002032251 -0.003796501 -0.007813718 0.004304013 0.011821537 0.004435512 -0.001394478 -0.013593722 0.004013577 0.006522169 -0.000312354 0.005979262 -0.004219782 0.006466280 0.004164871 0.006823176 0.001922958 0.002084860 0.005318729 -0.005176806 0.002349431 0.001282423 0.000619337 -0.001877859 -0.000836915 -0.003097325 -0.002276586 -0.003272122 0.001388612 -0.002994017 0.002235839 0.003850118 0.002644139 -0.007598722 0.003239913 0.008523062 0.001904325 0.000588661 0.001506263 0.001219089 0.002346679 -0.001567937 0.001196740 -0.002860285 0.003936004 -0.002350051 0.002030234 -0.003564373 0.001603511 0.003057850 -0.002121447 -0.002443526 -0.003806007 0.002323524 -0.004725914 -0.000812406 -0.002194622 -0.001297011 -0.000580414 -0.000638419 0.000464803 -0.002155623 -0.000671495 0.000788122 -0.000087712 0.000258853 -0.000381355 0.000499552 0.000654630 -0.000434611 0.000255674 -0.001269518 -0.000418454 -0.000159912 -0.001234771 -0.000619029 -0.000173810 0.000965353 0.000246134 -0.001471271 -0.000288380 -0.001535544 0.002124036 0.000599197 0.001903113 0.000833221 -0.001042883 -0.000328169 -0.000782103 0.002142488 -0.000954156 -0.000006003 0.001285506 0.001002324 0.001863441 -0.000824907 -0.000188187 -0.002336834 -0.000104390 0.001236890 -0.000905044 0.000843484 -0.001660514 -0.000156442 0.001053520 0.000083794 0.001515388 -0.001441006 0.000926132 0.000627116 -0.001085326 0.001085256 -0.001095259 -0.000221348 0.000678456 -0.000636076 0.000865129 -0.000383153 0.000659933 -0.001062740 0.001714273 -0.001143417 0.000247985 -0.001456783 0.000730278 -0.001249319 0.000839839 0.000768539 0.001635264 -0.000817530 -0.001217406 0.000609790 -0.001452196 -0.000395026 -0.000554260 0.017022381 0.003248076 (Enter /usr/local/gaussian/gaussian16/g16/l716.exe) Closed 1 1 1 -852.317002487440 -852.317003348473 -0.000000861033 -852.317003352314 -0.000000003841 -852.317003357033 -0.000000004718 -852.317003357266 -0.000000000233 -852.317003357219 0.000000000047 -852.317003357227 -0.000000000008 -852.317003357 7 8.483924835225e+02 -5.283957875046e+03 1.932682429221e+03 Using DIIS extrapolation, IDIIS= 1040. NGot= 4246732800 LenX= 4245951938 LenY= 4245571866 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) PT80217.200S 2022-11-18T16:51:23.000 Mulliken charges: 1 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 O O C C C C C C C C C C C C C C C C C C H H H H H H H H H H H H H H H H H H H H H H H H H H -0.064883 -0.013742 0.017073 0.226057 -0.172238 -0.455566 -0.343786 -0.631739 0.374620 -0.500118 -0.628566 -0.594213 -0.861522 0.405217 0.698032 -0.130994 -0.353612 -0.647295 -0.380614 -0.102111 0.155044 0.167637 0.182318 0.166336 0.164850 0.163905 0.162706 0.148615 0.170959 0.159147 0.165015 0.146180 0.149699 0.161290 0.149468 0.153197 0.152626 0.168168 0.160401 0.145509 0.146579 0.184321 0.158449 0.169688 0.153995 0.153898 -0.00000 -19.12427 -19.11771 -10.22106 -10.21831 -10.21666 -10.21500 -10.18262 -10.17803 -10.17213 -10.17193 -10.16999 -10.16937 -10.16892 -10.16054 -10.15870 -10.15849 -10.15575 -10.15201 -10.15200 -10.14708 -1.04995 -1.02725 -0.86139 -0.80916 -0.79732 -0.77455 -0.76364 -0.74994 -0.73738 -0.69093 -0.67803 -0.67319 -0.66337 -0.60520 -0.59777 -0.59606 -0.57240 -0.55471 -0.53974 -0.50617 -0.49794 -0.48859 -0.48066 -0.47502 -0.45441 -0.44364 -0.44127 -0.43202 -0.42539 -0.41509 -0.41166 -0.40973 -0.40580 -0.40074 -0.39533 -0.38693 -0.37907 -0.37386 -0.36964 -0.36240 -0.35674 -0.35407 -0.34909 -0.33863 -0.33833 -0.33176 -0.32859 -0.32407 -0.31403 -0.30868 -0.29843 -0.26954 -0.25719 -0.25359 -0.24485 -0.01789 -0.01146 0.00533 0.01338 0.01566 0.02226 0.02500 0.03045 0.03713 0.03871 0.04365 0.04656 0.04701 0.05689 0.05895 0.06132 0.06560 0.06897 0.07172 0.07382 0.07855 0.08494 0.08775 0.09224 0.09497 0.09719 0.09878 0.10188 0.10364 0.10855 0.11007 0.11591 0.11988 0.12443 0.12666 0.12879 0.13370 0.13519 0.13947 0.14123 0.14668 0.14979 0.15089 0.15525 0.15735 0.16349 0.16399 0.16578 0.17033 0.17184 0.17436 0.17790 0.18054 0.18152 0.18689 0.19119 0.19209 0.19264 0.19697 0.19952 0.20514 0.20636 0.21168 0.21334 0.21489 0.21680 0.21854 0.21887 0.22268 0.22354 0.22797 0.22898 0.23068 0.23428 0.23831 0.23889 0.23989 0.24165 0.24877 0.25250 0.25497 0.25831 0.26002 0.26247 0.26569 0.26860 0.27164 0.27259 0.27937 0.28159 0.28227 0.28487 0.28773 0.29234 0.29440 0.29877 0.30103 0.30494 0.30994 0.31425 0.31750 0.32433 0.32476 0.32654 0.33158 0.33561 0.33656 0.34484 0.34770 0.35399 0.36064 0.36644 0.37074 0.37497 0.37791 0.38190 0.38457 0.38861 0.40228 0.40364 0.40776 0.41132 0.41606 0.42416 0.42801 0.43094 0.43753 0.44718 0.46104 0.47103 0.47207 0.48707 0.49437 0.50811 0.52366 0.52666 0.52907 0.53943 0.54306 0.55086 0.55367 0.55481 0.56072 0.56476 0.56979 0.57665 0.58232 0.58557 0.59117 0.59841 0.60114 0.60863 0.61564 0.62053 0.62163 0.63074 0.63409 0.64344 0.64648 0.64966 0.65627 0.66198 0.66900 0.67364 0.67804 0.68053 0.68297 0.68930 0.69210 0.69454 0.69855 0.70564 0.70892 0.71458 0.71525 0.72212 0.72402 0.72720 0.73116 0.73230 0.73406 0.73855 0.74136 0.75161 0.75295 0.75725 0.76496 0.77503 0.77817 0.78547 0.78813 0.78953 0.80252 0.81144 0.81581 0.82118 0.82551 0.83228 0.83661 0.84273 0.85703 0.86216 0.86497 0.87466 0.88013 0.89247 0.92021 0.92578 0.93590 0.94308 0.95483 0.96243 0.96954 0.97518 0.99352 0.99748 1.00916 1.01926 1.02740 1.03401 1.04479 1.05669 1.06860 1.08149 1.08907 1.10993 1.11346 1.12335 1.12884 1.15277 1.15929 1.16527 1.18011 1.19972 1.21558 1.22424 1.24389 1.25205 1.25336 1.28517 1.29241 1.32400 1.32768 1.33293 1.34531 1.37544 1.38822 1.40136 1.42484 1.43844 1.44821 1.46153 1.46711 1.47144 1.47506 1.48122 1.48510 1.49318 1.50088 1.50578 1.50660 1.51379 1.52251 1.52560 1.53183 1.53724 1.54474 1.55400 1.55757 1.56307 1.57454 1.57653 1.57977 1.58577 1.58825 1.59538 1.60694 1.61034 1.61250 1.62122 1.63162 1.64140 1.64766 1.65128 1.65590 1.66701 1.67284 1.67486 1.68380 1.68660 1.70896 1.71158 1.71863 1.72155 1.72568 1.73391 1.73954 1.75147 1.75430 1.75604 1.76378 1.76924 1.78125 1.79268 1.79355 1.79635 1.81044 1.81514 1.82493 1.83465 1.84073 1.84472 1.85322 1.86236 1.87053 1.88244 1.88972 1.90358 1.90539 1.91059 1.91929 1.93098 1.93589 1.94156 1.94518 1.95215 1.95880 1.97128 1.97879 1.98706 1.99380 2.00899 2.02927 2.04223 2.05575 2.05859 2.06505 2.07758 2.08363 2.09733 2.10504 2.12595 2.13021 2.13911 2.15054 2.15867 2.16312 2.16739 2.17817 2.18495 2.20507 2.21991 2.22944 2.25180 2.26443 2.27434 2.28768 2.29943 2.31096 2.32154 2.32950 2.33901 2.36208 2.38452 2.38898 2.39094 2.40226 2.40600 2.41457 2.42521 2.43728 2.46782 2.47798 2.48714 2.49206 2.50822 2.51256 2.52229 2.52554 2.52810 2.54016 2.54282 2.54665 2.56102 2.56794 2.57078 2.58288 2.59284 2.59960 2.61034 2.63378 2.64044 2.65428 2.66182 2.66831 2.67513 2.68597 2.68649 2.69541 2.70458 2.71468 2.72010 2.73263 2.73637 2.74043 2.74775 2.74910 2.76271 2.76960 2.77612 2.78660 2.79167 2.80141 2.82572 2.83234 2.83841 2.84229 2.85846 2.86409 2.88765 2.90088 2.90423 2.91982 2.93474 2.94177 2.94626 2.95774 2.96787 2.98403 2.98838 2.99241 3.01830 3.03579 3.04562 3.05411 3.07441 3.10039 3.10327 3.12241 3.12925 3.14441 3.16462 3.17854 3.18641 3.20303 3.23084 3.24331 3.26626 3.27504 3.28875 3.31107 3.32096 3.34816 3.37187 3.38258 3.39969 3.42707 3.46750 3.54222 3.57359 3.59290 3.64051 3.67534 3.70878 3.73643 3.78770 3.81277 3.81508 3.82047 3.83750 3.84556 3.84990 3.85892 3.86395 3.89810 3.98098 4.04281 4.05465 4.05767 4.08965 4.10758 4.12909 4.17360 4.18063 4.19105 4.23468 4.30364 4.31291 4.32447 4.33316 4.39713 4.44323 4.48419 4.85834 5.20835 5.25390 5.44905 5.51778 5.65830 5.75873 23.59333 23.78092 23.83258 23.85306 23.88966 23.92423 23.93648 23.95663 23.97502 23.97945 23.98716 23.99941 24.01015 24.02412 24.04104 24.08661 24.09924 24.19206 49.99785 50.02821 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 O O C C C C C C C C C C C C C C C C C C H H H H H H H H H H H H H H H H H H H H H H H H H H -0.100366 -0.029902 -0.052463 0.051041 -0.275111 -0.629736 -0.329356 -0.631683 0.538652 -0.105998 -0.636100 -0.600013 -0.812249 0.383966 0.750911 -0.155152 -0.380242 -0.690592 -0.375577 -0.108066 0.157806 0.166753 0.182446 0.166031 0.165012 0.160603 0.161577 0.147583 0.170803 0.160754 0.167299 0.148228 0.150919 0.163172 0.150747 0.154925 0.153582 0.169183 0.164849 0.148186 0.148547 0.185515 0.159480 0.172493 0.155742 0.155801 -0.00000 -5.84355574e-01 -1.06343158e-01 -1.40479164e+00 ./ancestor::cml:module[@dictRef='cc:finalization']/cml:molecule[@id='mol9999'] -1.4853 -0.2703 -3.5706 3.8767 -117.2674 -116.0078 -125.1903 0.9316 4.8481 4.4447 2.2211 3.4807 -5.7018 0.9316 4.8481 4.4447 -0.2262 -12.7431 -6.7837 -3.3427 -9.4622 10.6900 -7.3884 -5.7557 2.1804 13.9575 -6517.4270 -1886.1855 -696.3917 -58.9481 105.5958 8.3453 23.5334 4.7643 4.4636 -1405.8083 -1303.4025 -422.2906 76.2631 -11.8263 12.3537 (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A) (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A) (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A) (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(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 -852.3170034 5.19E-9 4.127E-6 1.936888,0.1834047,-2.1202927,0.7004829,4.5366384,-3.5884084 C01 [X(C18H26O2)] 0.5629849 0.5174857 1.3196501 -0.000003959 0.000003715 -0.000001327 -0.000002331 -0.000009108 -0.000015051 -0.000000880 -0.000000113 0.000003969 0.000004607 0.000010679 0.000010979 0.000020514 0.000006753 -0.000000918 -0.000002870 -0.000006722 -0.000006136 -0.000000626 -0.000001866 -0.000003802 -0.000006086 0.000002683 -0.000005788 0.000001955 -0.000009597 0.000002990 0.000002058 0.000001362 -0.000002564 -0.000003447 0.000001728 0.000000950 -0.000001047 0.000001516 0.000002732 -0.000011719 0.000005736 0.000015398 0.000002049 0.000003033 -0.000005392 -0.000007663 -0.000006382 0.000002156 0.000000119 0.000000645 -0.000003129 0.000002687 0.000001127 0.000005875 0.000004763 0.000002063 -0.000000086 -0.000000031 0.000001709 -0.000002073 0.000002818 -0.000000667 0.000003086 -0.000000838 -0.000002160 -0.000000670 0.000000365 0.000000683 0.000001044 0.000001211 -0.000002425 -0.000001221 0.000000574 -0.000002210 -0.000001548 0.000000129 -0.000001500 0.000000843 0.000000933 0.000001413 -0.000000761 0.000001270 -0.000000713 -0.000003140 -0.000001323 0.000003673 0.000000225 0.000001674 0.000000969 -0.000003600 -0.000001591 -0.000000722 0.000000773 -0.000003758 0.000001016 -0.000004475 0.000001092 -0.000000878 0.000001394 -0.000000385 -0.000000513 0.000004360 0.000000512 0.000003430 0.000000907 -0.000001844 0.000000822 0.000000467 0.000001718 0.000000257 -0.000000118 0.000000630 -0.000001741 0.000003540 0.000000695 -0.000005430 -0.000002674 0.000000074 -0.000001546 -0.000003286 -0.000000058 -0.000001099 -0.000001419 -0.000000556 0.000000563 0.000001766 -0.000001523 0.000000810 0.000003027 0.000001836 -0.000001770 0.000002801 -0.000003186 0.000000271 0.000000894 0.000000908 -0.000000274 -0.000001896 0.000000531 0.000000779 0.000000901 248.19139999999987 AuxInfo=1/0/N:3;4;5;6;7;8;9;10;11;12;13;14;15;16;17;18;19;20;1;2;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/rA:46nO0O0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:2.1095,-.127,-1.1145;-.2585,-.8779,.4883;2.5185,.9581,-.2346;2.0647,-1.1881,-.1261;1.0769,-.607,.9134;1.4266,.9052,.8632;3.8269,.3889,.3644;3.4869,-1.1199,.484;2.6617,2.259,-1.0234;1.683,-2.5043,-.7576;1.393,2.6336,-1.8004;3.1017,3.4093,-.1073;-1.2558,-.5061,1.4468;-2.6164,-.7133,.8349;-3.0729,.1221,-.2064;-3.4279,-1.7537,1.2937;-4.3389,-.1204,-.7489;-2.2236,1.2529,-.7314;-4.6903,-1.9815,.7453;-5.1453,-1.1597,-.2824;1.2332,-1.0514,1.9034;.5456,1.4701,.5611;1.7786,1.2969,1.818;4.0792,.8508,1.3199;4.656,.557,-.3268;4.1677,-1.7315,-.1111;3.5101,-1.491,1.5109;3.4606,2.0799,-1.7541;.7016,-2.4436,-1.2296;2.4241,-2.7872,-1.5098;1.6503,-3.2875,.0054;.5664,2.8852,-1.1294;1.5848,3.51,-2.4274;1.0658,1.8186,-2.4496;4.037,3.1847,.4126;2.3383,3.6251,.6476;3.2566,4.3213,-.6913;-1.1246,.5433,1.741;-1.1432,-1.1191,2.3504;-3.0638,-2.3941,2.0911;-4.6996,.5171,-1.5502;-1.285,.879,-1.1459;-2.7491,1.8092,-1.5102;-1.9626,1.9559,.0666;-5.3066,-2.7938,1.1148;-6.1235,-1.3237,-.7222; Gaussian 16 GINC-BELVIS16 APULGAR Optimization cinmethylin CONF104 octanol EM64L-G16RevC.01 132 C1[X(C18H26O2)] 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 0 248.19139999999987 AuxInfo=1/0/N:3;4;5;6;7;8;9;10;11;12;13;14;15;16;17;18;19;20;1;2;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/rA:46nO0O0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:2.1095,-.127,-1.1145;-.2585,-.8779,.4883;2.5185,.9581,-.2346;2.0647,-1.1881,-.1261;1.0769,-.607,.9134;1.4266,.9052,.8632;3.8269,.3889,.3644;3.4869,-1.1199,.484;2.6617,2.259,-1.0234;1.683,-2.5043,-.7576;1.393,2.6336,-1.8004;3.1017,3.4093,-.1073;-1.2558,-.5061,1.4468;-2.6164,-.7133,.8349;-3.0729,.1221,-.2064;-3.4279,-1.7537,1.2937;-4.3389,-.1204,-.7489;-2.2236,1.2529,-.7314;-4.6903,-1.9815,.7453;-5.1453,-1.1597,-.2824;1.2332,-1.0514,1.9034;.5456,1.4701,.5611;1.7786,1.2969,1.818;4.0792,.8508,1.3199;4.656,.557,-.3268;4.1677,-1.7315,-.1111;3.5101,-1.491,1.5109;3.4606,2.0799,-1.7541;.7016,-2.4436,-1.2296;2.4241,-2.7872,-1.5098;1.6503,-3.2875,.0054;.5664,2.8852,-1.1294;1.5848,3.51,-2.4274;1.0658,1.8186,-2.4496;4.037,3.1847,.4126;2.3383,3.6251,.6476;3.2566,4.3213,-.6913;-1.1246,.5433,1.741;-1.1432,-1.1191,2.3504;-3.0638,-2.3941,2.0911;-4.6996,.5171,-1.5502;-1.285,.879,-1.1459;-2.7491,1.8092,-1.5102;-1.9626,1.9559,.0666;-5.3066,-2.7938,1.1148;-6.1235,-1.3237,-.7222; Optimization cinmethylin CONF104 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 16 16 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 15.9949146 15.9949146 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5.6000000 5.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 (Enter /usr/local/gaussian/gaussian16/g16/l101.exe) Structure from the checkpoint file: "/home/apulgar/almacen/pesticidas/gaussian_results/30_herbicides/cinmethylin/octanol/CONF104/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 1 1 2 2 3 3 3 4 4 4 5 5 6 6 7 7 7 8 8 9 9 9 10 10 10 11 11 11 12 12 12 13 13 13 14 14 15 15 16 16 17 17 18 18 18 19 19 20 3 4 5 13 6 7 9 5 8 10 6 21 22 23 8 24 25 26 27 11 12 28 29 30 31 32 33 34 35 36 37 14 38 39 15 16 17 18 19 40 20 41 42 43 44 20 45 46 1.4556 1.4508 1.4273 1.4323 1.5492 1.5475 1.5281 1.5473 1.549 1.509 1.5529 1.0964 1.0893 1.0905 1.5512 1.0909 1.0925 1.0917 1.0921 1.5342 1.535 1.0973 1.0907 1.0932 1.0938 1.094 1.0945 1.092 1.0934 1.095 1.094 1.5061 1.0978 1.0978 1.4109 1.397 1.3986 1.5085 1.3951 1.0856 1.3957 1.0856 1.0921 1.0919 1.095 1.3923 1.0846 1.0849 calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically A1 A2 A3 A4 A5 A6 A7 A8 A9 A10 A11 A12 A13 A14 A15 A16 A17 A18 A19 A20 A21 A22 A23 A24 A25 A26 A27 A28 A29 A30 A31 A32 A33 A34 A35 A36 A37 A38 A39 A40 A41 A42 A43 A44 A45 A46 A47 A48 A49 A50 A51 A52 A53 A54 A55 A56 A57 A58 A59 A60 A61 A62 A63 A64 A65 A66 A67 A68 A69 A70 A71 A72 A73 A74 A75 A76 A77 A78 A79 A80 A81 A82 A83 A84 A85 A86 A87 A88 A89 A90 A91 A92 3 5 1 1 1 6 6 7 1 1 1 5 5 8 2 2 2 4 4 6 3 3 3 5 5 22 3 3 3 8 8 24 4 4 4 7 7 26 3 3 3 11 11 12 4 4 4 29 29 30 9 9 9 32 32 33 9 9 9 35 35 36 2 2 2 14 14 38 13 13 15 14 14 17 14 14 19 15 15 20 15 15 15 42 42 43 16 16 20 17 17 19 1 2 3 3 3 3 3 3 4 4 4 4 4 4 5 5 5 5 5 5 6 6 6 6 6 6 7 7 7 7 7 7 8 8 8 8 8 8 9 9 9 9 9 9 10 10 10 10 10 10 11 11 11 11 11 11 12 12 12 12 12 12 13 13 13 13 13 13 14 14 14 15 15 15 16 16 16 17 17 17 18 18 18 18 18 18 19 19 19 20 20 20 4 13 6 7 9 7 9 9 5 8 10 8 10 10 4 6 21 6 21 21 5 22 23 22 23 23 8 24 25 24 25 25 7 26 27 26 27 27 11 12 28 12 28 28 29 30 31 30 31 31 32 33 34 33 34 34 35 36 37 36 37 37 14 38 39 38 39 39 15 16 16 17 18 18 19 40 40 20 41 41 42 43 44 43 44 44 20 45 45 19 46 46 98.1669 113.7595 101.8192 101.3846 110.4194 108.0032 117.4443 115.7035 101.695 101.99 111.14 107.7607 116.5709 115.8153 109.0204 112.6992 108.9879 101.5487 111.3064 113.0709 102.4117 110.8468 112.3782 109.3793 113.2128 108.5149 101.6688 112.2644 109.8871 113.2714 111.3916 108.2694 102.34 109.4654 112.0146 111.4822 113.4694 107.9988 113.0668 110.9007 105.8409 110.8779 107.7382 108.1218 111.1118 110.0105 109.8863 109.0629 108.3501 108.3564 111.7358 109.9182 111.5069 107.4298 108.0566 108.032 112.0239 111.0538 110.2851 108.0056 107.6969 107.6041 108.7532 110.1333 109.5383 110.3876 110.5078 107.5129 120.7083 119.5885 119.6991 118.4591 121.2344 120.3065 121.2075 119.0612 119.7313 121.4953 119.0304 119.4743 111.0584 111.0494 111.2092 108.504 106.9553 107.9033 119.3081 120.1715 120.5199 119.8302 119.8624 120.3074 calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically D1 D2 D3 D4 D5 D6 D7 D8 D9 D10 D11 D12 D13 D14 D15 D16 D17 D18 D19 D20 D21 D22 D23 D24 D25 D26 D27 D28 D29 D30 D31 D32 D33 D34 D35 D36 D37 D38 D39 D40 D41 D42 D43 D44 D45 D46 D47 D48 D49 D50 D51 D52 D53 D54 D55 D56 D57 D58 D59 D60 D61 D62 D63 D64 D65 D66 D67 D68 D69 D70 D71 D72 D73 D74 D75 D76 D77 D78 D79 D80 D81 D82 D83 D84 D85 D86 D87 D88 D89 D90 D91 D92 D93 D94 D95 D96 D97 D98 D99 D100 D101 D102 D103 D104 D105 D106 D107 D108 D109 D110 D111 D112 D113 D114 D115 D116 D117 D118 D119 D120 D121 D122 D123 D124 D125 D126 D127 D128 D129 D130 D131 D132 D133 D134 D135 D136 D137 D138 4 4 4 3 3 3 13 13 13 5 5 5 1 1 1 7 7 7 9 9 9 1 1 1 6 6 6 9 9 9 1 1 1 6 6 6 7 7 7 1 1 1 8 8 8 10 10 10 1 1 1 5 5 5 10 10 10 1 1 1 5 5 5 8 8 8 2 2 2 4 4 4 21 21 21 3 3 3 24 24 24 25 25 25 3 3 3 12 12 12 28 28 28 3 3 3 11 11 11 28 28 28 2 2 38 38 39 39 13 13 16 16 13 13 15 15 14 14 18 18 14 14 14 17 17 17 14 14 40 40 15 15 41 41 16 16 45 45 1 1 1 1 1 1 2 2 2 2 2 2 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 5 5 5 5 5 5 5 5 5 7 7 7 7 7 7 7 7 7 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 13 13 13 13 13 13 14 14 14 14 14 14 14 14 15 15 15 15 15 15 15 15 15 15 16 16 16 16 17 17 17 17 19 19 19 19 3 3 3 4 4 4 5 5 5 13 13 13 6 6 6 6 6 6 6 6 6 7 7 7 7 7 7 7 7 7 9 9 9 9 9 9 9 9 9 5 5 5 5 5 5 5 5 5 8 8 8 8 8 8 8 8 8 10 10 10 10 10 10 10 10 10 6 6 6 6 6 6 6 6 6 8 8 8 8 8 8 8 8 8 11 11 11 11 11 11 11 11 11 12 12 12 12 12 12 12 12 12 14 14 14 14 14 14 15 15 15 15 16 16 16 16 17 17 17 17 18 18 18 18 18 18 19 19 19 19 20 20 20 20 20 20 20 20 6 7 9 5 8 10 4 6 21 14 38 39 5 22 23 5 22 23 5 22 23 8 24 25 8 24 25 8 24 25 11 12 28 11 12 28 11 12 28 2 6 21 2 6 21 2 6 21 7 26 27 7 26 27 7 26 27 29 30 31 29 30 31 29 30 31 3 22 23 3 22 23 3 22 23 4 26 27 4 26 27 4 26 27 32 33 34 32 33 34 32 33 34 35 36 37 35 36 37 35 36 37 15 16 15 16 15 16 17 18 17 18 19 40 19 40 20 41 20 41 42 43 44 42 43 44 20 45 20 45 19 46 19 46 17 46 17 46 -54.7944 56.5664 179.7309 56.4652 -54.7835 -178.7994 173.8401 -74.2135 52.167 174.53 53.4447 -64.6017 31.6662 -84.9086 153.4733 -74.5974 168.8277 47.2096 152.3517 35.7768 -85.8413 -35.6685 -157.0327 82.4153 70.898 -50.4662 -171.0182 -155.1338 83.502 -37.05 55.1082 -179.6343 -62.6052 -60.9709 64.2866 -178.6843 169.4989 -65.2436 51.7855 83.7211 -35.426 -156.0236 -169.4769 71.376 -49.2216 -37.2972 -156.4443 82.9582 31.4703 -86.8838 153.3536 -75.1256 166.5204 46.7578 152.2874 33.9334 -85.8293 -59.8022 61.0756 -179.7056 56.0707 176.9485 -63.8327 -175.5539 -54.6761 64.5427 -114.3788 3.2463 124.3861 2.1112 119.7362 -119.1239 121.4609 -120.9141 0.2257 2.5493 119.4651 -118.3343 123.2104 -119.8738 2.3268 -114.4478 2.468 124.6685 66.8006 -174.0268 -54.247 -58.4693 60.7033 -179.5169 -176.6021 -57.4296 62.3503 56.8186 -64.0457 176.7595 -176.7023 62.4334 -56.7614 -58.8027 -179.667 61.1382 -69.9521 109.3038 50.977 -129.7671 169.7777 -10.9663 179.4005 -0.5496 0.1454 -179.8047 -179.5823 0.3514 -0.3188 179.6149 0.0358 179.9685 179.9864 -0.0809 60.9889 -178.1752 -57.9984 -118.9603 1.8756 122.0523 0.3045 -179.9539 -179.6288 0.1128 -0.0494 179.971 -179.9818 0.0386 -0.1188 179.8607 -179.8595 0.1201 calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|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. 0.00144 0.00160 0.00171 0.00239 0.00302 0.00512 0.00514 0.00561 0.01097 0.01567 0.01701 0.01720 0.01827 0.01959 0.02089 0.02200 0.02274 0.02462 0.02622 0.02754 0.02895 0.02971 0.03207 0.03645 0.03902 0.03912 0.04068 0.04234 0.04236 0.04368 0.04429 0.04491 0.04504 0.04530 0.04590 0.04657 0.04808 0.05134 0.05481 0.05632 0.05656 0.05711 0.05798 0.05807 0.05995 0.06044 0.06134 0.07661 0.08049 0.08250 0.08495 0.09219 0.10415 0.10637 0.10869 0.11077 0.11725 0.11846 0.11949 0.12120 0.12193 0.12255 0.12373 0.12471 0.13356 0.13533 0.14149 0.14308 0.14408 0.14783 0.14870 0.15048 0.15228 0.15497 0.18287 0.18546 0.19149 0.19286 0.19444 0.19481 0.19862 0.20348 0.20886 0.21403 0.21503 0.22186 0.22799 0.23579 0.24061 0.25671 0.26284 0.27695 0.28563 0.28770 0.29411 0.30397 0.31021 0.31257 0.31955 0.32048 0.32229 0.32602 0.32893 0.32931 0.32986 0.33007 0.33108 0.33183 0.33285 0.33369 0.33441 0.33680 0.33758 0.33859 0.33987 0.34040 0.34085 0.34245 0.34430 0.34516 0.34601 0.34900 0.35373 0.35453 0.35506 0.35641 0.38825 0.41298 0.43997 0.45916 0.47528 0.49931 Angle between quadratic step and forces= 74.96 degrees. 1 2 0.00036355 0.00000014 0.00000013 0.00000000 R1 R2 R3 R4 R5 R6 R7 R8 R9 R10 R11 R12 R13 R14 R15 R16 R17 R18 R19 R20 R21 R22 R23 R24 R25 R26 R27 R28 R29 R30 R31 R32 R33 R34 R35 R36 R37 R38 R39 R40 R41 R42 R43 R44 R45 R46 R47 R48 A1 A2 A3 A4 A5 A6 A7 A8 A9 A10 A11 A12 A13 A14 A15 A16 A17 A18 A19 A20 A21 A22 A23 A24 A25 A26 A27 A28 A29 A30 A31 A32 A33 A34 A35 A36 A37 A38 A39 A40 A41 A42 A43 A44 A45 A46 A47 A48 A49 A50 A51 A52 A53 A54 A55 A56 A57 A58 A59 A60 A61 A62 A63 A64 A65 A66 A67 A68 A69 A70 A71 A72 A73 A74 A75 A76 A77 A78 A79 A80 A81 A82 A83 A84 A85 A86 A87 A88 A89 A90 A91 A92 D1 D2 D3 D4 D5 D6 D7 D8 D9 D10 D11 D12 D13 D14 D15 D16 D17 D18 D19 D20 D21 D22 D23 D24 D25 D26 D27 D28 D29 D30 D31 D32 D33 D34 D35 D36 D37 D38 D39 D40 D41 D42 D43 D44 D45 D46 D47 D48 D49 D50 D51 D52 D53 D54 D55 D56 D57 D58 D59 D60 D61 D62 D63 D64 D65 D66 D67 D68 D69 D70 D71 D72 D73 D74 D75 D76 D77 D78 D79 D80 D81 D82 D83 D84 D85 D86 D87 D88 D89 D90 D91 D92 D93 D94 D95 D96 D97 D98 D99 D100 D101 D102 D103 D104 D105 D106 D107 D108 D109 D110 D111 D112 D113 D114 D115 D116 D117 D118 D119 D120 D121 D122 D123 D124 D125 D126 D127 D128 D129 D130 D131 D132 D133 D134 D135 D136 D137 D138 2.75075 2.74169 2.69728 2.70661 2.92757 2.92433 2.88773 2.92394 2.92727 2.85151 2.93448 2.07188 2.05841 2.06070 2.93144 2.06144 2.06454 2.06292 2.06384 2.89921 2.90073 2.07368 2.06114 2.06587 2.06707 2.06735 2.06833 2.06360 2.06628 2.06931 2.06731 2.84619 2.07452 2.07446 2.66615 2.63993 2.64293 2.85070 2.63628 2.05145 2.63756 2.05150 2.06372 2.06334 2.06929 2.63114 2.04960 2.05024 1.71334 1.98548 1.77708 1.76950 1.92718 1.88501 2.04979 2.01941 1.77491 1.78006 1.93976 1.88078 2.03455 2.02136 1.90277 1.96697 1.90220 1.77236 1.94266 1.97346 1.78742 1.93464 1.96137 1.90903 1.97594 1.89394 1.77445 1.95938 1.91789 1.97696 1.94415 1.88966 1.78617 1.91053 1.95502 1.94573 1.98041 1.88494 1.97339 1.93558 1.84727 1.93518 1.88039 1.88708 1.93927 1.92005 1.91788 1.90351 1.89107 1.89118 1.95016 1.91843 1.94616 1.87500 1.88594 1.88551 1.95519 1.93825 1.92484 1.88505 1.87967 1.87805 1.89810 1.92219 1.91180 1.92663 1.92873 1.87645 2.10676 2.08721 2.08914 2.06750 2.11594 2.09974 2.11547 2.07801 2.08970 2.12049 2.07747 2.08522 1.93833 1.93818 1.94097 1.89375 1.86672 1.88327 2.08232 2.09739 2.10347 2.09143 2.09199 2.09976 -0.95634 0.98727 3.13690 0.98550 -0.95615 -3.12064 3.03408 -1.29527 0.91049 3.04612 0.93279 -1.12751 0.55268 -1.48193 2.67861 -1.30197 2.94660 0.82396 2.65904 0.62442 -1.49821 -0.62253 -2.74074 1.43842 1.23740 -0.88080 -2.98483 -2.70760 1.45738 -0.64664 0.96182 -3.13521 -1.09267 -1.06414 1.12201 -3.11863 2.95831 -1.13872 0.90383 1.46121 -0.61830 -2.72312 -2.95793 1.24575 -0.85908 -0.65096 -2.73047 1.44789 0.54926 -1.51641 2.67653 -1.31119 2.90633 0.81608 2.65792 0.59225 -1.49800 -1.04375 1.06597 -3.13645 0.97862 3.08833 -1.11409 -3.06399 -0.95428 1.12648 -1.99629 0.05666 2.17095 0.03685 2.08979 -2.07911 2.11989 -2.11035 0.00394 0.04449 2.08506 -2.06532 2.15043 -2.09219 0.04061 -1.99749 0.04307 2.17588 1.16589 -3.03734 -0.94679 -1.02048 1.05947 -3.13316 -3.08229 -1.00233 1.08822 0.99167 -1.11781 3.08504 -3.08404 1.08967 -0.99067 -1.02630 -3.13578 1.06706 -1.22089 1.90771 0.88972 -2.26486 2.96318 -0.19140 3.13113 -0.00959 0.00254 -3.13818 -3.13430 0.00613 -0.00556 3.13487 0.00062 3.14104 3.14136 -0.00141 1.06446 -3.10974 -1.01226 -2.07625 0.03273 2.13022 0.00531 -3.14079 -3.13511 0.00197 -0.00086 3.14109 -3.14127 0.00067 -0.00207 3.13916 -3.13914 0.00210 -0.00001 -0.00000 0.00001 0.00001 -0.00001 -0.00000 -0.00001 -0.00001 -0.00001 0.00000 -0.00001 0.00000 0.00000 -0.00000 -0.00001 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 -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 -0.00001 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00001 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00001 0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 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 0.00006 0.00007 -0.00001 -0.00001 -0.00003 -0.00004 -0.00003 0.00001 -0.00004 -0.00000 0.00000 -0.00000 -0.00001 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00001 -0.00000 -0.00000 -0.00001 -0.00001 -0.00001 -0.00001 -0.00000 -0.00000 -0.00001 -0.00001 -0.00001 -0.00002 -0.00001 -0.00002 -0.00001 -0.00002 0.00001 -0.00000 -0.00000 -0.00000 -0.00000 -0.00002 -0.00001 0.00001 -0.00001 -0.00000 -0.00000 -0.00002 -0.00005 -0.00001 0.00000 0.00000 0.00001 -0.00002 0.00001 0.00000 0.00001 -0.00002 0.00001 -0.00003 0.00004 -0.00000 0.00002 -0.00003 0.00001 0.00000 0.00001 0.00000 0.00001 -0.00002 0.00004 -0.00002 -0.00001 -0.00000 0.00001 0.00001 -0.00001 -0.00001 -0.00000 -0.00000 0.00002 0.00001 -0.00001 -0.00000 -0.00001 -0.00002 0.00000 0.00005 -0.00001 -0.00001 -0.00001 -0.00004 0.00005 0.00003 -0.00001 -0.00003 0.00001 -0.00000 -0.00001 0.00000 0.00001 -0.00000 -0.00000 0.00000 0.00001 -0.00000 -0.00000 -0.00001 0.00000 0.00002 -0.00003 -0.00002 -0.00001 0.00000 0.00003 0.00001 -0.00000 -0.00000 0.00001 -0.00004 0.00003 -0.00000 0.00000 -0.00000 -0.00001 0.00001 0.00000 -0.00000 0.00000 -0.00004 0.00002 0.00004 -0.00002 -0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00001 0.00000 0.00002 0.00001 -0.00001 -0.00004 0.00001 0.00003 0.00003 -0.00003 -0.00002 -0.00003 0.00002 -0.00003 -0.00001 0.00002 -0.00003 -0.00001 0.00001 -0.00004 -0.00002 -0.00001 -0.00001 -0.00002 -0.00002 -0.00001 -0.00003 -0.00003 -0.00002 -0.00004 -0.00020 -0.00023 -0.00022 -0.00018 -0.00021 -0.00020 -0.00019 -0.00022 -0.00020 0.00003 0.00000 -0.00002 0.00004 0.00002 -0.00000 0.00007 0.00005 0.00003 0.00000 0.00001 0.00000 -0.00001 0.00000 -0.00001 0.00000 0.00001 0.00000 0.00079 0.00078 0.00084 0.00075 0.00075 0.00080 0.00077 0.00076 0.00082 -0.00002 0.00001 0.00002 -0.00001 0.00002 0.00002 -0.00000 0.00003 0.00004 0.00000 0.00002 -0.00001 0.00001 0.00003 0.00000 -0.00001 0.00001 -0.00002 -0.00041 -0.00040 -0.00040 -0.00039 -0.00038 -0.00038 -0.00036 -0.00035 -0.00036 -0.00025 -0.00026 -0.00027 -0.00028 -0.00029 -0.00029 -0.00030 -0.00031 -0.00032 -0.00022 -0.00016 -0.00025 -0.00018 -0.00021 -0.00015 0.00012 0.00004 0.00005 -0.00002 -0.00010 -0.00008 -0.00003 -0.00001 -0.00003 -0.00001 0.00004 0.00007 -0.00120 -0.00118 -0.00123 -0.00128 -0.00125 -0.00130 -0.00001 -0.00001 -0.00003 -0.00003 -0.00001 0.00000 -0.00004 -0.00002 0.00003 0.00002 0.00004 0.00002 -0.00001 0.00001 0.00006 0.00007 -0.00001 -0.00001 -0.00003 -0.00004 -0.00003 0.00001 -0.00004 -0.00000 0.00000 -0.00000 -0.00001 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00001 -0.00000 -0.00000 -0.00001 -0.00001 -0.00001 -0.00001 -0.00000 -0.00000 -0.00001 -0.00001 -0.00001 -0.00002 -0.00001 -0.00002 -0.00001 -0.00002 0.00001 -0.00000 -0.00000 -0.00000 -0.00000 -0.00002 -0.00001 0.00001 -0.00001 -0.00000 -0.00000 -0.00002 -0.00005 -0.00001 0.00000 0.00000 0.00001 -0.00002 0.00001 0.00000 0.00001 -0.00002 0.00001 -0.00003 0.00004 -0.00000 0.00002 -0.00003 0.00001 0.00000 0.00001 0.00000 0.00001 -0.00002 0.00004 -0.00002 -0.00001 -0.00000 0.00001 0.00001 -0.00001 -0.00001 -0.00000 -0.00000 0.00002 0.00001 -0.00001 -0.00000 -0.00001 -0.00002 0.00000 0.00005 -0.00001 -0.00001 -0.00001 -0.00004 0.00005 0.00003 -0.00001 -0.00003 0.00001 -0.00000 -0.00001 0.00000 0.00001 -0.00000 -0.00000 0.00000 0.00001 -0.00000 -0.00000 -0.00001 0.00000 0.00002 -0.00003 -0.00002 -0.00001 0.00000 0.00003 0.00001 -0.00000 -0.00000 0.00001 -0.00004 0.00003 -0.00000 0.00000 -0.00000 -0.00001 0.00001 0.00000 -0.00000 0.00000 -0.00004 0.00002 0.00004 -0.00002 -0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00001 0.00000 0.00002 0.00001 -0.00001 -0.00004 0.00001 0.00003 0.00003 -0.00003 -0.00002 -0.00003 0.00002 -0.00003 -0.00001 0.00002 -0.00003 -0.00001 0.00001 -0.00004 -0.00002 -0.00001 -0.00001 -0.00002 -0.00002 -0.00001 -0.00003 -0.00003 -0.00002 -0.00004 -0.00020 -0.00023 -0.00022 -0.00018 -0.00021 -0.00020 -0.00019 -0.00022 -0.00020 0.00003 0.00000 -0.00002 0.00004 0.00002 -0.00000 0.00007 0.00005 0.00003 0.00000 0.00001 0.00000 -0.00001 0.00000 -0.00001 0.00000 0.00001 0.00000 0.00079 0.00078 0.00084 0.00075 0.00075 0.00080 0.00077 0.00076 0.00082 -0.00002 0.00001 0.00002 -0.00001 0.00002 0.00002 -0.00000 0.00003 0.00004 0.00000 0.00002 -0.00001 0.00001 0.00003 0.00000 -0.00001 0.00001 -0.00002 -0.00041 -0.00040 -0.00040 -0.00039 -0.00038 -0.00038 -0.00036 -0.00035 -0.00036 -0.00025 -0.00026 -0.00027 -0.00028 -0.00029 -0.00029 -0.00030 -0.00031 -0.00032 -0.00022 -0.00016 -0.00025 -0.00018 -0.00021 -0.00015 0.00012 0.00004 0.00005 -0.00002 -0.00010 -0.00008 -0.00003 -0.00001 -0.00003 -0.00001 0.00004 0.00007 -0.00120 -0.00118 -0.00123 -0.00128 -0.00125 -0.00130 -0.00001 -0.00001 -0.00003 -0.00003 -0.00001 0.00000 -0.00004 -0.00002 0.00003 0.00002 0.00004 0.00002 2.75074 2.74169 2.69735 2.70668 2.92756 2.92432 2.88770 2.92390 2.92724 2.85152 2.93444 2.07188 2.05841 2.06070 2.93142 2.06144 2.06453 2.06292 2.06384 2.89922 2.90074 2.07368 2.06114 2.06586 2.06706 2.06734 2.06832 2.06360 2.06627 2.06931 2.06730 2.84618 2.07450 2.07445 2.66614 2.63992 2.64291 2.85070 2.63628 2.05145 2.63755 2.05150 2.06370 2.06333 2.06930 2.63113 2.04959 2.05024 1.71332 1.98543 1.77707 1.76950 1.92719 1.88502 2.04977 2.01942 1.77492 1.78007 1.93973 1.88079 2.03451 2.02140 1.90276 1.96699 1.90216 1.77237 1.94267 1.97347 1.78742 1.93465 1.96135 1.90907 1.97592 1.89393 1.77445 1.95939 1.91791 1.97695 1.94414 1.88965 1.78617 1.91055 1.95504 1.94572 1.98041 1.88492 1.97337 1.93558 1.84732 1.93517 1.88038 1.88707 1.93923 1.92010 1.91790 1.90349 1.89103 1.89118 1.95016 1.91843 1.94616 1.87502 1.88594 1.88551 1.95519 1.93826 1.92484 1.88505 1.87965 1.87805 1.89812 1.92216 1.91178 1.92662 1.92873 1.87648 2.10676 2.08721 2.08914 2.06751 2.11590 2.09978 2.11547 2.07801 2.08970 2.12049 2.07748 2.08522 1.93833 1.93818 1.94093 1.89377 1.86676 1.88325 2.08232 2.09739 2.10347 2.09143 2.09199 2.09976 -0.95635 0.98727 3.13691 0.98551 -0.95616 -3.12068 3.03410 -1.29524 0.91052 3.04609 0.93277 -1.12754 0.55270 -1.48196 2.67861 -1.30195 2.94656 0.82395 2.65905 0.62438 -1.49823 -0.62255 -2.74075 1.43839 1.23739 -0.88081 -2.98486 -2.70762 1.45736 -0.64668 0.96161 -3.13544 -1.09288 -1.06433 1.12181 -3.11882 2.95812 -1.13893 0.90362 1.46123 -0.61830 -2.72314 -2.95789 1.24576 -0.85908 -0.65089 -2.73042 1.44792 0.54926 -1.51640 2.67653 -1.31120 2.90633 0.81607 2.65792 0.59226 -1.49800 -1.04296 1.06675 -3.13562 0.97937 3.08908 -1.11329 -3.06323 -0.95352 1.12730 -1.99631 0.05667 2.17096 0.03683 2.08981 -2.07908 2.11989 -2.11032 0.00398 0.04450 2.08508 -2.06533 2.15044 -2.09216 0.04061 -1.99750 0.04309 2.17586 1.16548 -3.03774 -0.94719 -1.02087 1.05909 -3.13354 -3.08265 -1.00269 1.08786 0.99142 -1.11807 3.08477 -3.08432 1.08938 -0.99097 -1.02660 -3.13609 1.06675 -1.22112 1.90756 0.88947 -2.26504 2.96297 -0.19154 3.13125 -0.00955 0.00259 -3.13821 -3.13440 0.00605 -0.00560 3.13486 0.00060 3.14104 3.14140 -0.00135 1.06326 -3.11092 -1.01349 -2.07753 0.03148 2.12891 0.00530 -3.14080 -3.13514 0.00194 -0.00088 3.14109 -3.14131 0.00065 -0.00204 3.13918 -3.13910 0.00212 |Maximum Force|RMS Force|Maximum Displacement|RMS Displacement| 0.000014 0.000002 0.002346 0.000364 0.000450 0.000300 0.001800 0.001200 YES YES NO YES -1.929831e-08 6-311+G(d,p) (5D, 7F) 0.10000e-02 0.10000e-05 F 616 A 596 A 596 928 616 75 75 1650.6203918807 46 46 46 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 -0.0510705988 PCM SMD-Coulomb. Total charges None Matrix inversion n-Octanol 9.862900 2.043470 0.000000 2.956378 0.000000 1.455634 3.406611 0.000000 1.450837 2.422996 2.196318 0.000000 2.325744 1.427341 2.417757 1.547282 0.000000 2.332958 2.481796 1.549204 2.401565 1.552861 0.000000 2.324411 4.279087 1.547489 2.415158 2.975875 2.505328 0.000000 2.331999 3.753225 2.402527 1.549043 2.501174 2.913685 1.551250 0.000000 2.450745 4.544532 1.528120 3.611669 3.804824 2.630087 2.604060 3.790799 0.000000 2.441510 2.822601 3.599974 1.508955 2.599951 3.783811 3.771752 2.590802 4.870083 0.000000 2.933364 4.505105 2.554612 4.226101 4.238632 3.175407 3.955928 4.867415 1.534198 5.250668 0.000000 3.808485 5.479576 2.522896 4.712983 4.612191 3.165190 3.141882 4.583875 1.535000 6.116126 2.527552 0.000000 4.246057 1.432278 4.383644 3.736930 2.395007 3.086723 5.273203 4.878241 5.393941 4.181934 5.236229 6.060850 0.000000 5.145664 2.388915 5.504948 4.802239 3.695636 4.355016 6.553808 6.126904 6.336088 4.922262 5.849908 7.111986 1.506137 0.000000 5.267214 3.066485 5.653594 5.302606 4.359580 4.690686 6.928497 6.711932 6.174063 5.460787 5.365827 6.995795 2.535605 1.410868 0.000000 6.253661 3.385391 6.711873 5.701240 4.663974 5.551709 7.621460 6.990853 7.652068 5.558090 7.215460 8.441310 2.509552 1.396989 2.427991 0.000000 6.458782 4.330659 6.960748 6.521840 5.686048 6.073882 8.257116 7.985176 7.399018 6.476647 6.445499 8.260364 3.804654 2.413952 1.398579 2.769515 0.000000 4.563569 3.144734 4.777119 4.971314 4.130048 3.998400 6.209308 6.302126 4.996317 5.420197 4.016012 5.779116 2.962263 2.544295 1.508523 3.819853 2.522097 0.000000 7.289330 4.574329 7.846492 6.856951 5.931050 6.764834 8.849062 8.226576 8.669564 6.568862 8.048929 9.513297 3.803177 2.432560 2.819025 1.395058 2.412473 4.327432 0.000000 7.375012 4.955228 7.951166 7.211736 6.360101 6.983261 9.127818 8.666257 8.554859 6.975631 7.709871 9.429724 4.306400 2.800524 2.437971 2.405497 1.395734 3.815591 1.392338 0.000000 3.275704 2.063426 3.203303 2.197490 1.096390 2.224365 3.342212 2.664370 4.643898 3.065030 5.227163 5.237594 2.588635 4.009413 4.936665 4.752970 6.241020 4.919465 6.106838 6.743484 0.000000 2.793558 2.482886 2.188055 3.137794 2.172649 1.089264 3.460424 3.919847 2.758791 4.339182 2.765631 3.277355 2.816901 3.852316 3.936950 5.168989 5.301369 3.063666 6.273897 6.325634 2.938095 0.000000 3.276674 3.263037 2.208057 3.168071 2.221571 1.090475 2.670777 3.246397 3.127186 4.592642 3.876692 3.149560 3.549143 4.931862 5.386568 6.057127 6.783943 4.745373 7.331081 7.641120 2.412324 1.769185 0.000000 3.280607 4.742995 2.205424 3.210398 3.362244 2.692224 1.090868 2.221150 3.079535 4.616846 4.486747 3.088409 5.506405 6.893002 7.349394 7.946182 8.722911 6.640397 9.233452 9.576112 3.472626 3.666852 2.395866 0.000000 2.751948 5.184211 2.176808 3.130628 3.962766 3.459265 1.092505 2.199142 2.712848 4.289090 4.139023 3.255772 6.263071 7.473402 7.742088 8.562462 9.030325 6.926543 9.744059 9.950650 4.390553 4.303239 3.664380 1.769398 0.000000 2.795965 4.547470 3.157358 2.172156 3.444958 3.926186 2.199633 1.091652 4.361687 2.681247 5.441205 5.250183 5.774378 6.925037 7.474702 7.724479 8.681347 7.080945 8.902781 9.332134 3.623892 4.880743 4.312878 2.953675 2.349913 0.000000 3.273330 3.952712 3.166662 2.204675 2.656901 3.240686 2.224541 1.092137 4.604854 3.084035 5.697280 5.176689 4.867054 6.212566 6.991913 6.946385 8.282083 6.740297 8.250618 8.845439 2.351967 4.296290 3.296183 2.417533 2.980673 1.766710 0.000000 2.665479 5.254344 2.110636 3.908786 4.474000 3.516641 2.735265 3.904881 1.097346 5.016736 2.140976 2.146679 6.259169 7.171764 6.993868 8.452019 8.166017 5.834315 9.443396 9.312454 5.305045 3.772135 4.025177 3.367882 2.405281 4.210191 4.838723 0.000000 2.713347 2.514909 3.982820 2.156897 2.847265 4.014953 4.509091 3.527988 5.098940 1.090706 5.155745 6.424750 3.840362 4.273809 4.677238 4.888331 5.570957 4.740155 5.760688 6.060685 3.469432 4.306761 4.943656 5.363049 5.045447 3.711097 4.038038 5.324392 0.000000 2.707756 3.851562 3.957541 2.145000 3.527132 4.501061 3.945663 2.807954 5.075137 1.093213 5.525603 6.389303 5.242757 5.933431 6.354507 6.570674 7.309567 6.207184 7.506561 7.839092 4.010186 5.093317 5.307651 4.897160 4.191012 2.472042 3.461824 4.982191 1.778658 0.000000 3.384308 3.111767 4.340049 2.143906 2.887679 4.285349 4.287454 2.881065 5.731021 1.093844 6.195635 6.853210 4.273081 5.051691 5.829124 5.458983 6.816948 6.013715 6.515798 7.126764 2.962562 4.915649 4.931417 4.975289 4.891286 2.961758 2.992141 5.931364 1.771254 1.773356 0.000000 3.384509 4.178346 2.885386 4.454635 4.077902 2.937859 4.369707 5.212839 2.189452 5.516560 1.093992 2.783402 4.632346 5.190196 4.661670 6.583772 5.765472 3.256809 7.404885 7.049989 5.013983 2.204788 3.560861 4.741121 4.773914 5.943119 5.898131 3.068406 5.331525 5.980992 6.369073 0.000000 3.902132 5.581427 3.491772 5.253421 5.326181 4.199722 4.750012 5.790508 2.166992 6.242573 1.094513 2.773841 6.261566 6.791790 6.172864 8.165795 7.147521 4.740707 8.921801 8.467633 6.299671 3.764608 4.791538 5.228352 4.750293 6.285665 6.650292 2.452999 6.136787 6.418784 7.219973 1.764116 0.000000 2.580171 4.201964 2.785162 3.929006 4.146522 3.455269 4.193632 4.806513 2.185102 4.683145 1.092011 3.487348 5.096694 5.545942 5.003909 6.853311 5.988624 3.753990 7.601385 7.221183 5.216713 3.075153 4.358081 4.922047 4.357483 5.262468 5.710821 2.507353 4.448375 4.893043 5.695698 1.769149 1.769294 0.000000 4.124864 5.912829 2.771738 4.827163 4.836302 3.494769 2.804065 4.340168 2.193306 6.267019 3.491771 1.093426 6.534976 7.722735 7.766168 8.993859 9.079060 6.650980 10.147211 10.181935 5.294192 3.892551 3.261826 2.504341 2.799036 4.945700 4.831710 2.499465 6.745358 6.477678 6.910207 3.809584 3.766292 4.345832 0.000000 4.151555 5.200531 2.814913 4.882666 4.424053 2.876752 3.573393 4.884793 2.182433 6.322488 2.805284 1.095034 5.533863 6.588312 6.502399 7.911929 7.782305 5.323485 8.991365 8.931038 4.966714 2.804530 2.665295 3.343573 3.966702 5.711001 5.319088 3.068403 6.559898 6.766037 6.976363 2.616259 3.168027 3.804589 1.770564 0.000000 4.613276 6.385829 3.473428 5.665136 5.622640 4.175532 4.111400 5.571447 2.171948 7.004989 2.748072 1.093971 6.945314 7.884700 7.611223 9.248184 8.799089 6.280838 10.244121 10.039944 6.300219 4.128862 4.198593 4.094600 4.032538 6.148414 6.220635 2.489004 7.251363 7.203732 7.807628 3.080829 2.543091 3.762239 1.766234 1.766486 0.000000 4.366020 2.083023 4.164958 4.081062 2.618071 2.722146 5.141582 5.060846 4.992118 4.838743 4.821708 5.430605 1.097790 2.150719 2.786691 3.283574 4.119740 2.797126 4.481119 4.812539 2.851053 2.245101 3.000352 5.229877 6.139346 6.050910 5.066713 5.966577 4.591432 5.852621 5.038596 4.072257 5.789391 4.897485 5.948409 4.762828 6.275654 0.000000 4.854838 2.075609 4.940108 4.053133 2.693642 3.593529 5.560548 4.992098 6.105019 4.423292 6.143634 6.675772 1.097755 2.152204 3.435382 2.596047 4.562510 4.036251 3.987749 4.790670 2.418948 3.571763 3.828470 5.675928 6.603607 5.885541 4.742987 6.948002 4.239576 5.514447 4.243168 5.573767 7.190112 6.045684 7.008007 6.126015 7.629425 1.770732 0.000000 6.494477 3.568958 6.914320 5.715891 4.661098 5.705860 7.629426 6.864260 8.008284 5.537055 7.764289 8.747915 2.692280 2.145545 3.407331 1.085580 3.855075 4.687542 2.151000 3.389674 4.505777 5.504593 6.094813 7.883364 8.611104 7.588387 6.660968 8.795973 5.020715 6.575561 5.231743 7.170881 8.768361 7.444391 9.184872 8.215683 9.632539 3.537181 2.319847 0.000000 6.853368 5.081850 7.350275 7.119814 6.379723 6.595877 8.739793 8.592847 7.582909 7.105983 6.454569 8.444386 4.678522 3.397415 2.146660 3.855113 1.085605 2.709745 3.393028 2.148880 7.041735 5.733960 7.343035 9.242159 9.435401 9.260501 8.989016 8.310993 6.167805 7.852870 7.564154 5.789293 7.015720 5.978570 9.343321 8.001388 8.860648 4.859389 5.526364 4.940676 0.000000 3.540507 2.609756 3.911909 4.066074 3.468003 3.374844 5.352800 5.424271 4.182760 4.517317 3.267759 5.169554 2.939599 2.869077 2.156889 4.180315 3.237757 1.092075 4.832708 4.450175 4.400660 2.571830 4.283084 5.903874 6.005840 6.133264 5.972254 4.932762 3.872085 5.227843 5.224992 2.729994 4.098756 2.847599 6.005731 4.887312 5.716827 2.910761 4.029488 4.935123 3.457503 0.000000 5.245100 4.173421 5.486252 5.837119 5.133189 4.887371 6.983916 7.172442 5.451206 6.230257 4.233234 6.225775 4.041552 3.446739 2.156624 4.584452 2.613507 1.091874 4.819236 4.007957 5.974470 3.906446 5.642622 7.453454 7.602914 7.895311 7.693861 6.220335 5.483829 6.920164 6.901285 3.506445 4.745122 3.928878 7.186126 5.816777 6.561209 3.848596 5.104752 5.544022 2.340023 1.772481 0.000000 4.723924 3.333467 4.600745 5.112828 4.064939 3.636673 6.005236 6.271532 4.760712 5.819212 3.899381 5.271646 2.909612 2.853432 2.160997 4.173008 3.259248 1.095019 4.837743 4.467429 4.757186 2.602270 4.183100 6.268663 6.776325 7.156080 6.627033 5.722017 5.304144 6.650211 6.367883 2.947914 4.606453 3.939765 6.133976 4.649933 5.780144 2.345461 3.917012 4.922750 3.489309 1.757604 1.768149 0.000000 8.190286 5.435730 8.782400 7.645556 6.750715 7.686528 9.701265 8.973655 9.674581 7.241864 9.101662 10.520130 4.663996 3.412400 3.903607 2.154869 3.399645 5.412030 1.084600 2.156099 6.813748 7.261986 8.211517 10.070780 10.609500 9.612233 8.921287 10.433015 6.458934 8.164141 7.062135 8.472381 9.988855 8.636473 11.114856 9.993321 11.279031 5.386873 4.654668 2.478547 4.293423 5.896987 5.883878 5.902630 0.000000 8.328686 6.005140 8.951386 8.210913 7.418453 8.030221 10.154958 9.687891 9.492355 7.895279 8.562632 10.386670 5.391333 3.885421 3.415011 3.393343 2.152476 4.674178 2.154141 1.084941 7.815882 7.343588 8.704150 10.629849 10.949458 10.317350 9.890401 10.222640 6.934890 8.707624 8.050908 7.914210 9.256814 8.033913 11.173557 9.897878 10.947699 5.877223 5.855440 4.292077 2.470103 5.333117 4.671429 5.356317 2.490645 0.000000 C18H26O2 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 0 248.19139999999987 AuxInfo=1/0/N:3;4;5;6;7;8;9;10;11;12;13;14;15;16;17;18;19;20;1;2;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/rA:46nO0O0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:-2.0136,-.3859,1.1426;.5826,-.8877,-.1795;-2.6411,.2035,-.0312;-1.602,-1.6431,.5468;-.7398,-1.1589,-.6432;-1.4987,.1253,-1.0747;-3.6912,-.875,-.3902;-2.9374,-2.1807,-.0251;-3.1987,1.587,.3004;-.9179,-2.5274,1.5603;-2.1458,2.5337,.8912;-3.8713,2.2152,-.9281;1.5061,-.5649,-1.2257;2.821,-.1702,-.6061;2.9482,1.0431,.1025;3.9216,-1.0228,-.7219;4.1875,1.357,.6695;1.7813,1.9874,.2526;5.1528,-.6949,-.1539;5.2835,.5015,.5462;-.692,-1.9161,-1.4347;-.8345,.9842,-.9873;-1.8732,.08,-2.0978;-3.9899,-.8284,-1.4383;-4.5837,-.7445,.2263;-3.464,-2.7435,.748;-2.7798,-2.8448,-.8777;-3.9686,1.4243,1.0652;-.0301,-2.0429,1.9687;-1.6053,-2.7607,2.3777;-.6119,-3.4659,1.089;-1.3739,2.7887,.159;-2.6199,3.4683,1.2068;-1.6545,2.0931,1.7613;-4.6658,1.5805,-1.33;-3.1437,2.3934,-1.7268;-4.3167,3.1792,-.6652;1.1108,.2554,-1.8389;1.6361,-1.4351,-1.8821;3.8104,-1.9567,-1.264;4.2959,2.2885,1.2164;.9554,1.5092,.7834;2.0718,2.8857,.8011;1.3957,2.299,-.7237;5.9965,-1.369,-.2547;6.2329,.7716,.9964; 0.6464763 0.1936814 0.1667626 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= 596 RedAO= T EigKep= 1.04D-06 NBF= 596 NBsUse= 595 1.00D-06 EigRej= 5.10D-07 NBFU= 595 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= 616 616 616 616 616 MxSgAt= 46 MxSgA2= 46. 1 Closed 1 1 1 -852.317003357280 -852.317003357 1 8.483924832467e+02 -5.283957880233e+03 1.932682434685e+03 Using DIIS extrapolation, IDIIS= 1040. NGot= 4246732800 LenX= 4245951938 LenY= 4245571866 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= 46. Will process 47 centers per pass. Symmetrizing basis deriv contribution to polar: IMax=3 JMax=2 DiffMx= 0.00D+00 Minotr: Closed shell wavefunction. IDoAtm=1111111111111111111111111111111111111111111111 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. 14248 words used for storage of precomputed grid. Two-electron integrals replicated using symmetry. MDV= 4246732800 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= 820000000 NMat= 138 IRICut= 345 DoRegI=T DoRafI=T ISym2E= 2 IDoP0=3 IntGTp=3. There are 141 degrees of freedom in the 1st order CPHF. IDoFFX=6 NUNeed= 3. 138 vectors produced by pass 0 Test12= 3.90D-14 1.00D-09 XBig12= 2.00D+02 6.15D+00. AX will form 138 AO Fock derivatives at one time. 138 vectors produced by pass 1 Test12= 3.90D-14 1.00D-09 XBig12= 2.21D+01 1.26D+00. 138 vectors produced by pass 2 Test12= 3.90D-14 1.00D-09 XBig12= 1.44D-01 4.26D-02. 138 vectors produced by pass 3 Test12= 3.90D-14 1.00D-09 XBig12= 4.12D-04 3.35D-03. 138 vectors produced by pass 4 Test12= 3.90D-14 1.00D-09 XBig12= 9.68D-07 1.38D-04. 109 vectors produced by pass 5 Test12= 3.90D-14 1.00D-09 XBig12= 1.41D-09 3.49D-06. 24 vectors produced by pass 6 Test12= 3.90D-14 1.00D-09 XBig12= 1.37D-12 8.57D-08. 3 vectors produced by pass 7 Test12= 3.90D-14 1.00D-09 XBig12= 1.44D-15 3.31D-09. InvSVY: IOpt=1 It= 1 EMax= 2.66D-14 Solved reduced A of dimension 826 with 141 vectors. FullF1: Do perturbations 1 to 3. Isotropic polarizability for W= 0.000000 290.29 Bohr**3. End of Minotr F.D. properties file 721 does not exist. 329.506 -11.116 294.259 16.456 20.373 247.091 333.355 -11.315 311.374 16.974 26.327 275.143 (Enter /usr/local/gaussian/gaussian16/g16/l716.exe) PT118934.100S 2022-11-18T18:14:10.000 -19.12427 -19.11771 -10.22106 -10.21831 -10.21666 -10.21500 -10.18262 -10.17803 -10.17213 -10.17193 -10.16999 -10.16937 -10.16892 -10.16054 -10.15870 -10.15849 -10.15575 -10.15201 -10.15200 -10.14708 -1.04995 -1.02725 -0.86139 -0.80916 -0.79732 -0.77455 -0.76364 -0.74994 -0.73738 -0.69093 -0.67803 -0.67319 -0.66337 -0.60520 -0.59777 -0.59606 -0.57240 -0.55471 -0.53974 -0.50617 -0.49794 -0.48859 -0.48066 -0.47502 -0.45441 -0.44364 -0.44127 -0.43202 -0.42539 -0.41509 -0.41166 -0.40973 -0.40580 -0.40074 -0.39533 -0.38693 -0.37907 -0.37386 -0.36964 -0.36240 -0.35674 -0.35407 -0.34909 -0.33863 -0.33833 -0.33176 -0.32859 -0.32407 -0.31403 -0.30868 -0.29843 -0.26954 -0.25719 -0.25359 -0.24485 -0.01789 -0.01146 0.00533 0.01338 0.01566 0.02226 0.02500 0.03045 0.03713 0.03871 0.04365 0.04656 0.04701 0.05689 0.05895 0.06132 0.06560 0.06897 0.07172 0.07382 0.07855 0.08494 0.08775 0.09224 0.09497 0.09719 0.09878 0.10188 0.10364 0.10855 0.11007 0.11591 0.11988 0.12443 0.12666 0.12879 0.13370 0.13519 0.13947 0.14123 0.14668 0.14979 0.15089 0.15525 0.15735 0.16349 0.16399 0.16578 0.17033 0.17184 0.17436 0.17790 0.18054 0.18152 0.18689 0.19119 0.19209 0.19264 0.19697 0.19952 0.20514 0.20636 0.21168 0.21334 0.21489 0.21680 0.21854 0.21887 0.22268 0.22354 0.22797 0.22898 0.23068 0.23428 0.23831 0.23889 0.23989 0.24165 0.24877 0.25250 0.25497 0.25831 0.26002 0.26247 0.26569 0.26860 0.27164 0.27259 0.27937 0.28159 0.28227 0.28487 0.28773 0.29234 0.29440 0.29877 0.30103 0.30494 0.30994 0.31425 0.31750 0.32433 0.32476 0.32654 0.33158 0.33561 0.33656 0.34484 0.34770 0.35399 0.36064 0.36644 0.37074 0.37497 0.37791 0.38190 0.38457 0.38861 0.40228 0.40364 0.40776 0.41132 0.41606 0.42416 0.42801 0.43094 0.43753 0.44718 0.46104 0.47103 0.47207 0.48707 0.49437 0.50811 0.52366 0.52666 0.52907 0.53943 0.54306 0.55086 0.55367 0.55481 0.56072 0.56476 0.56979 0.57665 0.58232 0.58557 0.59117 0.59841 0.60114 0.60863 0.61564 0.62053 0.62163 0.63074 0.63409 0.64344 0.64648 0.64966 0.65627 0.66198 0.66900 0.67364 0.67804 0.68053 0.68297 0.68930 0.69210 0.69454 0.69855 0.70564 0.70892 0.71458 0.71525 0.72212 0.72402 0.72720 0.73116 0.73230 0.73406 0.73855 0.74136 0.75161 0.75295 0.75725 0.76496 0.77503 0.77817 0.78547 0.78813 0.78953 0.80252 0.81144 0.81581 0.82118 0.82551 0.83228 0.83661 0.84273 0.85703 0.86216 0.86497 0.87466 0.88013 0.89247 0.92021 0.92578 0.93590 0.94308 0.95483 0.96243 0.96954 0.97518 0.99352 0.99748 1.00916 1.01926 1.02740 1.03401 1.04479 1.05669 1.06860 1.08149 1.08907 1.10993 1.11346 1.12335 1.12884 1.15277 1.15929 1.16527 1.18011 1.19972 1.21558 1.22424 1.24389 1.25205 1.25336 1.28517 1.29241 1.32400 1.32768 1.33293 1.34531 1.37544 1.38822 1.40136 1.42484 1.43844 1.44821 1.46153 1.46711 1.47144 1.47506 1.48122 1.48510 1.49318 1.50088 1.50578 1.50660 1.51379 1.52251 1.52560 1.53183 1.53724 1.54474 1.55400 1.55757 1.56307 1.57454 1.57653 1.57977 1.58577 1.58825 1.59538 1.60694 1.61034 1.61250 1.62122 1.63162 1.64140 1.64766 1.65128 1.65590 1.66701 1.67284 1.67486 1.68380 1.68660 1.70896 1.71158 1.71863 1.72155 1.72568 1.73391 1.73954 1.75147 1.75430 1.75604 1.76378 1.76924 1.78125 1.79268 1.79355 1.79635 1.81044 1.81514 1.82493 1.83465 1.84073 1.84472 1.85322 1.86236 1.87053 1.88244 1.88972 1.90358 1.90539 1.91059 1.91929 1.93098 1.93589 1.94156 1.94518 1.95215 1.95880 1.97128 1.97879 1.98706 1.99380 2.00899 2.02927 2.04223 2.05575 2.05859 2.06505 2.07758 2.08363 2.09733 2.10504 2.12595 2.13021 2.13911 2.15054 2.15867 2.16312 2.16739 2.17817 2.18495 2.20507 2.21991 2.22944 2.25180 2.26443 2.27434 2.28768 2.29943 2.31096 2.32154 2.32950 2.33901 2.36208 2.38452 2.38898 2.39094 2.40226 2.40600 2.41457 2.42521 2.43728 2.46782 2.47798 2.48714 2.49206 2.50822 2.51256 2.52229 2.52554 2.52810 2.54016 2.54282 2.54665 2.56102 2.56794 2.57078 2.58288 2.59284 2.59960 2.61034 2.63378 2.64044 2.65428 2.66182 2.66831 2.67513 2.68597 2.68649 2.69541 2.70458 2.71468 2.72010 2.73263 2.73637 2.74043 2.74775 2.74910 2.76271 2.76960 2.77612 2.78660 2.79167 2.80141 2.82572 2.83234 2.83841 2.84229 2.85846 2.86409 2.88765 2.90088 2.90423 2.91982 2.93474 2.94177 2.94626 2.95774 2.96787 2.98403 2.98838 2.99241 3.01830 3.03579 3.04562 3.05411 3.07441 3.10039 3.10327 3.12241 3.12925 3.14441 3.16462 3.17854 3.18641 3.20303 3.23084 3.24331 3.26626 3.27504 3.28875 3.31107 3.32096 3.34816 3.37187 3.38258 3.39969 3.42707 3.46750 3.54222 3.57359 3.59290 3.64051 3.67534 3.70878 3.73643 3.78770 3.81277 3.81508 3.82047 3.83750 3.84556 3.84990 3.85892 3.86395 3.89810 3.98098 4.04281 4.05465 4.05767 4.08965 4.10758 4.12909 4.17360 4.18063 4.19105 4.23468 4.30364 4.31291 4.32447 4.33316 4.39713 4.44323 4.48419 4.85834 5.20835 5.25390 5.44905 5.51778 5.65830 5.75873 23.59333 23.78092 23.83258 23.85306 23.88966 23.92423 23.93648 23.95663 23.97502 23.97945 23.98716 23.99941 24.01015 24.02412 24.04104 24.08661 24.09924 24.19206 49.99785 50.02821 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 O O C C C C C C C C C C C C C C C C C C H H H H H H H H H H H H H H H H H H H H H H H H H H -0.100366 -0.029902 -0.052463 0.051041 -0.275111 -0.629737 -0.329356 -0.631683 0.538652 -0.105998 -0.636100 -0.600013 -0.812249 0.383967 0.750911 -0.155152 -0.380242 -0.690592 -0.375577 -0.108066 0.157806 0.166753 0.182446 0.166031 0.165012 0.160603 0.161577 0.147583 0.170803 0.160754 0.167299 0.148228 0.150919 0.163172 0.150747 0.154925 0.153582 0.169183 0.164849 0.148186 0.148547 0.185515 0.159480 0.172493 0.155742 0.155801 -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 O O C C C C C C C C C C C C C C C C C C -0.100366 -0.029902 -0.052463 0.051041 -0.117305 -0.280538 0.001687 -0.309503 0.686235 0.392858 -0.173781 -0.140759 -0.478217 0.383967 0.750911 -0.006967 -0.231695 -0.173104 -0.219834 0.047734 0.00000 -5.84355945e-01 -1.06343474e-01 -1.40479178e+00 3.29505741e+02 -1.11157937e+01 2.94258686e+02 1.64555633e+01 2.03726696e+01 2.47091379e+02 -7.0420 -0.0006 0.0007 0.0010 3.8698 7.6984 32.5074 36.2287 45.5088 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 A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A 31.9858 35.7378 45.4831 64.5330 80.0867 123.5770 154.0150 156.7564 163.5212 195.9812 214.7903 223.3398 225.5016 240.1258 257.1818 269.2262 299.1776 322.6705 335.7811 343.8063 392.9872 421.6521 426.2294 451.7600 460.9767 467.2949 501.8847 528.6897 560.7758 574.5395 616.2367 627.0265 632.8406 661.8558 739.5305 753.5115 772.1068 794.4325 826.5356 849.3634 856.0885 878.8279 888.8254 892.9677 904.6982 920.9437 939.6761 947.1262 956.8438 962.9997 975.6026 978.6170 1001.0576 1001.3572 1013.2022 1016.2014 1037.1107 1045.2408 1064.5993 1068.6196 1073.6417 1108.2286 1123.8168 1132.1057 1140.3788 1154.9284 1182.7069 1189.1842 1207.4934 1215.1094 1222.5764 1231.6982 1238.5073 1251.6521 1259.1434 1262.9483 1273.8300 1305.0684 1316.1091 1337.6191 1338.9692 1343.0272 1352.0739 1378.9170 1383.9919 1400.0458 1412.9940 1414.7615 1417.4925 1432.1635 1467.0932 1470.4473 1473.5759 1474.9443 1477.5510 1478.9890 1485.0079 1485.2835 1492.9788 1493.8863 1496.9500 1500.0152 1517.2623 1518.7928 1613.3519 1642.7054 2990.6934 3004.4998 3016.9298 3018.4063 3023.4690 3024.0554 3025.8271 3034.3616 3047.0903 3057.7767 3075.4484 3077.0444 3082.2916 3083.8081 3086.5508 3089.7818 3096.8348 3101.5320 3106.7590 3109.3890 3120.6668 3126.5168 3154.2375 3159.6183 3170.6064 3184.4480 3.9293 3.7242 3.3967 2.6955 3.4656 2.7566 2.3764 1.4765 2.7824 2.0495 1.8847 1.0842 1.8605 1.7045 1.4502 2.3467 2.6824 2.4586 2.8137 2.7658 2.7701 2.7596 2.7233 3.2938 2.7956 3.3018 2.7843 3.6479 3.9043 3.7286 3.3501 3.3292 4.0321 3.6018 2.6136 2.0237 2.1306 2.5109 3.1551 3.1673 2.9225 1.5038 2.5160 2.1275 2.1669 2.0641 1.3318 1.8455 1.7858 1.5433 1.6454 2.4917 1.3433 1.9929 1.6754 2.3169 1.7366 2.8876 2.7477 1.6030 2.3782 1.9068 1.9044 2.2534 1.7039 2.2045 1.1084 1.9905 2.6217 1.6088 1.7159 1.8250 2.0617 1.4419 1.3115 1.3795 1.6871 1.5790 1.7143 1.9604 1.8323 1.6950 1.7882 1.4396 1.3324 1.2541 1.4293 1.2386 1.2417 1.3458 1.2506 1.2913 1.0482 1.0836 1.0713 1.0532 1.0531 1.0617 1.3027 1.0944 1.1049 1.0748 2.4621 1.0946 5.8229 5.8696 1.0555 1.0832 1.0867 1.0358 1.1042 1.0373 1.0399 1.0370 1.0604 1.0620 1.0649 1.1016 1.0985 1.0957 1.1025 1.1044 1.1022 1.1010 1.1052 1.1030 1.1012 1.1051 1.0868 1.0891 1.0927 1.0979 0.0024 0.0028 0.0041 0.0066 0.0131 0.0248 0.0332 0.0214 0.0438 0.0464 0.0512 0.0319 0.0557 0.0579 0.0565 0.1002 0.1415 0.1508 0.1869 0.1926 0.2521 0.2891 0.2915 0.3961 0.3500 0.4248 0.4132 0.6008 0.7234 0.7252 0.7496 0.7712 0.9514 0.9296 0.8422 0.6770 0.7484 0.9337 1.2700 1.3462 1.2620 0.6843 1.1711 0.9995 1.0449 1.0314 0.6929 0.9754 0.9633 0.8432 0.9227 1.4060 0.7931 1.1774 1.0134 1.4097 1.1005 1.8588 1.8348 1.0785 1.6152 1.3798 1.4171 1.7016 1.3056 1.7325 0.9135 1.6584 2.2522 1.3996 1.5111 1.6313 1.8633 1.3310 1.2251 1.2964 1.6129 1.5845 1.7496 2.0666 1.9354 1.8013 1.9260 1.6127 1.5037 1.4484 1.6813 1.4607 1.4699 1.6264 1.5860 1.6450 1.3410 1.3889 1.3779 1.3574 1.3683 1.3800 1.7108 1.4390 1.4588 1.4248 3.3394 1.4876 8.9299 9.3320 5.5622 5.7611 5.8278 5.5601 5.9474 5.5888 5.6097 5.6255 5.8010 5.8503 5.9344 6.1451 6.1488 6.1390 6.1884 6.2118 6.2280 6.2402 6.2852 6.2831 6.3187 6.3649 6.3705 6.4059 6.4720 6.5595 0.0908 0.1133 0.7794 0.3225 0.1940 4.0816 1.6777 1.0368 1.3732 0.6823 2.9005 0.1450 3.9482 0.5559 0.1036 11.2064 0.3275 1.6727 0.6703 1.9706 1.2916 0.3552 1.6369 3.6672 2.2413 9.7171 6.3849 3.8730 6.9983 7.5352 5.0727 1.8821 8.1158 8.8150 18.8189 45.5563 54.0212 11.3579 26.0043 24.3833 14.2722 7.0913 3.7126 24.2297 36.3603 4.2635 1.0104 29.9355 12.0438 6.1839 1.3425 3.3817 0.5697 10.0630 1.5121 7.0866 20.8855 111.9652 216.2828 33.2371 45.9623 71.2228 28.7865 99.6354 11.1559 32.8929 0.3737 1.8227 8.4888 17.4325 3.3666 22.7598 6.3944 1.0499 5.0859 10.0658 7.5331 0.4190 1.7158 2.2273 5.0485 6.8130 12.1172 28.6122 29.9839 14.9525 17.9687 2.6911 5.1901 13.2904 3.0612 19.7608 9.2041 0.4577 3.4871 0.5435 9.2622 6.0551 14.3004 25.2522 5.1874 22.3308 21.5563 2.8321 0.7984 7.9628 65.1244 36.8965 98.1705 36.3394 34.2263 30.5463 41.9871 24.1882 63.4903 62.4212 23.6380 3.1848 137.1760 15.9582 40.3149 16.7381 29.1976 37.6332 88.7171 24.9031 26.8769 28.2976 11.1584 3.3207 37.8517 25.1228 0.04 -0.03 -0.00 -0.01 -0.09 -0.01 0.05 0.01 0.01 -0.03 -0.04 -0.02 -0.01 -0.06 -0.02 0.02 -0.04 -0.02 -0.01 0.06 0.03 -0.06 0.02 -0.02 0.13 0.04 0.04 -0.06 -0.09 -0.04 0.19 -0.03 0.04 0.15 0.09 0.05 0.00 -0.11 -0.00 -0.02 -0.03 0.01 -0.09 0.01 -0.04 0.02 0.02 0.07 -0.11 0.10 -0.04 -0.14 -0.04 -0.10 -0.01 0.10 0.07 -0.07 0.14 0.02 -0.03 -0.06 -0.02 0.05 -0.06 -0.05 -0.02 -0.05 -0.00 -0.05 0.10 0.04 0.02 0.09 0.07 -0.07 0.02 -0.03 -0.09 0.05 -0.04 0.13 0.07 0.04 -0.03 -0.14 -0.04 -0.06 -0.07 -0.04 -0.11 -0.10 -0.06 0.20 -0.08 0.03 0.25 -0.00 0.04 0.17 -0.06 0.03 0.11 0.14 0.05 0.16 0.06 0.05 0.21 0.11 0.07 -0.01 -0.15 -0.05 0.05 -0.13 0.04 0.07 -0.01 0.11 -0.17 0.13 -0.08 -0.11 -0.05 -0.08 -0.18 0.01 -0.15 -0.15 -0.11 -0.12 0.02 0.14 0.11 -0.09 0.21 0.02 0.00 0.03 -0.00 0.00 -0.06 0.01 0.01 0.01 -0.02 -0.01 0.01 0.03 -0.00 -0.03 0.02 0.02 -0.03 -0.01 0.00 0.01 -0.00 -0.02 0.01 0.05 0.03 0.03 -0.06 -0.03 0.03 0.06 0.03 0.03 -0.07 0.06 0.00 -0.09 -0.01 -0.02 0.01 -0.01 -0.01 0.00 -0.05 -0.06 0.11 0.04 0.08 -0.14 -0.04 -0.04 0.08 -0.09 -0.14 0.25 0.05 0.11 -0.18 0.01 0.04 -0.07 -0.02 -0.05 0.04 0.03 -0.04 -0.01 0.03 -0.04 -0.01 0.02 -0.01 -0.01 -0.00 0.05 -0.02 -0.03 0.05 0.07 -0.03 -0.02 0.07 0.01 0.06 -0.07 -0.03 0.03 0.05 -0.04 0.06 0.07 -0.04 0.02 0.09 0.05 -0.01 -0.07 0.04 0.05 -0.11 0.01 0.05 -0.05 0.06 0.00 -0.09 0.07 -0.02 -0.08 0.06 0.01 -0.12 -0.03 -0.01 0.03 -0.00 -0.00 -0.01 0.08 0.13 -0.23 -0.07 -0.09 0.16 -0.03 -0.22 0.27 -0.11 -0.16 0.28 -0.18 -0.11 0.29 0.09 0.17 -0.30 0.02 0.06 -0.09 -0.10 -0.02 0.01 0.00 -0.02 0.09 -0.03 -0.00 -0.01 -0.05 -0.01 0.01 0.00 0.01 0.06 0.04 0.03 0.06 0.00 0.00 -0.11 -0.02 -0.00 -0.07 -0.06 -0.01 -0.01 -0.11 -0.02 0.03 -0.12 -0.05 0.16 0.10 0.05 -0.07 0.01 -0.06 0.09 0.02 -0.03 0.04 0.04 0.01 -0.02 0.03 -0.02 0.03 0.07 0.06 -0.11 0.04 0.00 -0.01 0.06 0.03 -0.06 0.08 0.07 -0.14 0.02 0.03 0.04 0.04 0.02 0.15 0.11 0.08 0.04 0.09 0.02 -0.13 -0.05 -0.01 -0.18 -0.07 -0.00 -0.10 0.02 -0.00 -0.06 -0.15 -0.04 -0.12 -0.13 -0.03 0.09 -0.15 -0.04 -0.01 -0.07 -0.01 0.03 -0.01 -0.05 0.28 -0.15 -0.05 0.12 -0.26 -0.08 0.22 0.17 0.06 -0.22 0.21 0.11 0.04 0.05 0.03 -0.07 0.01 -0.08 0.06 0.00 -0.08 0.12 0.01 -0.05 0.08 0.09 0.09 -0.17 0.06 0.01 0.03 0.05 0.02 -0.06 0.00 -0.04 -0.01 0.06 0.04 -0.08 0.10 0.11 -0.21 0.03 0.02 0.00 -0.00 0.02 -0.05 -0.01 -0.02 0.00 0.03 0.01 0.02 -0.01 -0.00 -0.02 -0.03 -0.03 -0.02 -0.00 -0.04 0.06 0.03 -0.02 0.07 -0.01 -0.01 -0.03 0.08 0.05 0.02 -0.06 -0.07 0.14 0.20 0.05 -0.12 -0.03 0.05 -0.06 -0.03 0.03 -0.05 -0.03 0.01 -0.02 -0.04 0.02 -0.04 -0.04 -0.03 0.04 -0.02 0.02 -0.02 -0.05 -0.03 0.02 -0.06 -0.05 0.06 -0.02 -0.02 -0.00 -0.05 -0.01 -0.06 -0.06 -0.06 -0.01 -0.02 -0.07 0.06 0.01 -0.04 0.07 0.05 -0.00 0.11 0.01 -0.05 0.09 -0.13 0.01 -0.15 0.08 0.08 -0.02 0.11 0.06 0.05 0.08 0.04 0.04 0.13 -0.18 0.30 -0.04 -0.01 -0.01 -0.28 -0.06 0.27 0.29 0.05 -0.30 0.34 0.11 0.02 0.12 0.02 -0.14 -0.04 0.07 -0.04 -0.03 0.07 -0.09 -0.04 0.03 -0.07 -0.05 -0.05 0.08 -0.04 0.02 -0.05 -0.02 0.01 0.00 0.01 0.05 -0.03 -0.06 -0.04 0.03 -0.07 -0.09 0.11 -0.01 -0.04 -0.01 -0.06 0.08 0.06 -0.03 -0.05 -0.01 -0.03 -0.05 -0.01 -0.02 -0.04 0.01 -0.09 -0.11 -0.07 -0.08 -0.02 0.08 -0.04 -0.03 -0.03 0.06 -0.01 -0.03 -0.05 -0.07 -0.02 0.14 -0.07 -0.08 0.08 0.01 -0.04 -0.05 0.12 0.08 -0.03 0.07 0.06 0.05 0.07 0.05 -0.07 0.02 0.03 0.10 0.03 -0.03 0.09 0.12 0.08 -0.03 -0.02 -0.04 0.06 -0.01 -0.07 0.08 -0.07 0.04 -0.12 -0.07 -0.21 -0.15 -0.23 -0.04 -0.20 -0.00 0.11 -0.00 -0.03 0.19 -0.01 -0.11 -0.07 -0.03 0.04 -0.09 0.06 0.07 -0.01 -0.04 -0.09 -0.02 -0.06 -0.05 -0.01 -0.08 -0.08 -0.02 0.16 -0.18 -0.09 0.22 -0.01 -0.13 0.10 -0.06 -0.05 0.04 0.05 -0.01 0.09 -0.06 -0.05 0.15 0.04 -0.06 -0.04 0.15 0.11 -0.07 0.15 0.04 -0.13 0.02 0.05 0.16 0.04 -0.05 0.06 0.13 0.05 0.13 0.07 0.14 0.12 0.19 0.10 -0.06 -0.06 -0.07 0.09 -0.04 -0.13 0.02 0.03 -0.03 -0.05 0.15 -0.01 -0.05 0.00 -0.01 0.02 0.03 -0.04 -0.02 0.05 -0.05 -0.11 -0.01 -0.09 -0.06 -0.02 0.09 0.01 0.00 -0.00 -0.04 0.00 0.01 0.07 0.05 -0.07 -0.03 -0.02 0.03 -0.03 0.03 0.01 0.05 -0.09 0.02 0.04 -0.08 0.05 0.01 -0.06 0.02 0.07 -0.05 0.06 0.01 0.01 -0.02 -0.02 -0.10 0.04 0.07 0.02 0.03 0.05 0.05 -0.02 0.05 0.03 -0.03 -0.14 0.02 -0.22 -0.19 -0.12 -0.06 -0.19 -0.01 0.13 0.01 -0.04 0.20 0.07 -0.07 -0.02 0.01 0.06 -0.05 -0.05 0.00 0.00 0.07 0.07 -0.09 0.11 0.01 -0.05 0.09 0.06 -0.08 0.04 -0.11 0.07 -0.00 0.02 -0.05 -0.12 -0.01 0.09 -0.01 0.03 -0.02 -0.02 0.07 0.04 -0.05 0.01 0.04 0.15 -0.16 -0.15 0.05 -0.21 0.17 0.09 -0.07 0.09 -0.01 0.03 -0.06 0.11 -0.05 0.29 0.02 0.03 -0.20 -0.23 -0.33 0.05 0.09 0.04 0.03 0.05 0.10 -0.06 0.05 0.00 -0.00 -0.00 -0.08 -0.05 0.04 0.01 0.01 0.02 -0.01 -0.01 -0.01 -0.01 -0.04 0.04 0.03 0.02 0.04 0.01 -0.01 -0.01 0.01 0.05 0.01 0.00 -0.01 0.06 -0.02 -0.06 -0.03 0.04 -0.01 0.02 -0.03 -0.03 -0.02 0.05 -0.02 -0.04 0.02 0.02 -0.01 0.04 -0.01 -0.09 -0.04 0.10 0.03 0.06 -0.10 -0.03 -0.01 0.15 -0.07 -0.06 0.07 0.00 0.02 -0.08 -0.07 0.00 -0.06 0.06 0.01 0.09 0.05 0.11 0.01 0.10 -0.01 -0.03 0.00 0.04 -0.07 -0.01 0.09 0.11 -0.06 -0.06 0.10 0.00 -0.00 -0.02 0.09 -0.04 -0.09 0.10 -0.04 -0.03 0.04 -0.02 -0.09 -0.03 0.07 -0.00 -0.06 0.03 -0.01 -0.01 0.06 -0.00 0.05 -0.06 -0.04 0.03 -0.02 -0.02 -0.02 -0.05 -0.05 -0.04 0.09 0.06 0.00 0.12 -0.11 -0.13 -0.08 0.17 0.08 0.10 -0.18 0.17 0.03 0.49 0.07 0.11 -0.10 -0.36 -0.22 0.21 -0.11 -0.11 0.13 0.03 0.03 -0.15 -0.04 -0.01 0.01 0.02 0.05 0.04 -0.00 -0.01 -0.01 0.00 -0.00 0.02 0.03 0.01 0.04 0.02 -0.01 0.02 0.01 -0.02 -0.04 0.03 -0.01 -0.05 0.02 -0.01 0.00 -0.03 0.01 0.05 0.05 -0.03 -0.01 0.01 0.01 0.02 -0.01 0.00 -0.01 -0.00 0.03 -0.05 -0.01 0.02 -0.04 -0.01 0.02 -0.06 -0.02 -0.02 0.02 -0.00 0.02 -0.01 -0.02 -0.01 -0.01 -0.04 -0.04 0.04 0.05 0.00 0.05 0.01 -0.00 0.03 0.04 -0.02 0.01 0.03 -0.00 -0.04 0.00 -0.04 -0.05 0.01 -0.05 -0.09 0.08 0.02 -0.06 0.03 0.00 0.01 -0.06 0.03 0.09 -0.06 0.01 0.02 0.01 0.01 0.07 0.02 -0.02 -0.04 0.07 -0.04 0.03 0.08 -0.06 -0.05 -0.03 0.04 0.04 -0.01 -0.02 -0.00 0.05 0.03 0.02 -0.03 -0.04 -0.04 -0.03 -0.04 0.04 -0.01 0.04 -0.09 -0.02 -0.03 0.04 0.20 0.18 0.46 0.14 0.24 -0.45 -0.36 -0.38 0.01 -0.03 -0.02 -0.01 -0.05 -0.07 0.10 -0.03 0.03 -0.08 -0.01 -0.03 -0.03 -0.02 -0.02 -0.10 -0.00 0.02 0.00 -0.01 -0.03 -0.03 0.00 -0.03 -0.08 0.02 -0.06 -0.11 0.01 -0.03 0.04 0.01 -0.03 -0.00 0.02 0.16 0.11 0.08 -0.14 0.04 -0.05 0.12 0.12 -0.00 0.02 -0.01 -0.01 -0.00 0.02 -0.00 0.00 0.01 -0.02 -0.02 0.04 0.01 0.02 -0.03 -0.01 -0.01 0.05 -0.01 -0.01 0.02 0.01 0.02 -0.03 -0.02 -0.06 -0.00 0.00 -0.03 -0.08 0.03 -0.05 -0.09 0.12 -0.13 -0.15 -0.04 -0.03 -0.21 -0.01 0.08 0.11 0.00 -0.14 0.13 0.05 -0.09 0.03 -0.03 0.28 0.09 0.00 0.21 0.11 0.11 0.13 0.24 0.04 -0.08 0.02 0.14 -0.15 0.18 0.12 -0.25 -0.04 -0.09 0.17 0.10 -0.10 0.20 0.09 -0.02 0.09 0.26 0.00 0.04 0.02 0.01 0.05 -0.05 -0.04 -0.03 0.07 0.03 0.03 -0.06 -0.04 -0.07 -0.05 -0.04 -0.07 0.16 0.05 0.10 0.06 -0.02 -0.03 0.04 0.02 0.03 -0.07 -0.04 -0.02 0.03 -0.00 0.09 0.06 -0.01 -0.00 0.02 0.03 0.01 0.01 0.02 0.06 0.04 0.01 0.04 0.05 0.03 -0.02 -0.03 0.08 -0.02 -0.07 0.01 0.01 0.00 0.09 0.03 -0.02 0.05 -0.00 -0.04 0.05 -0.01 -0.03 -0.03 -0.00 0.02 -0.03 -0.02 -0.01 -0.05 -0.02 -0.01 -0.05 -0.04 0.02 -0.04 0.00 -0.05 -0.07 -0.06 0.02 -0.05 -0.04 0.01 -0.04 -0.00 -0.05 0.06 0.07 0.03 -0.00 0.05 0.07 0.03 0.06 0.04 0.03 0.01 -0.02 0.03 -0.08 -0.02 0.06 -0.10 -0.14 0.14 0.05 -0.11 0.01 0.05 0.01 -0.11 0.22 0.20 0.03 -0.30 -0.16 0.44 0.20 -0.12 -0.01 0.03 -0.09 0.07 -0.02 0.03 0.12 -0.03 -0.09 -0.02 0.04 0.03 0.05 -0.13 -0.05 0.14 0.05 -0.08 -0.02 -0.02 -0.01 -0.08 -0.04 0.06 -0.07 -0.06 0.05 -0.03 0.01 -0.06 -0.14 -0.17 -0.18 -0.15 -0.16 0.23 0.05 0.13 0.03 -0.06 -0.05 0.04 -0.03 0.01 -0.07 -0.03 -0.01 0.01 -0.05 -0.03 0.00 -0.03 -0.00 0.00 -0.03 -0.01 -0.00 -0.05 0.00 -0.02 -0.01 0.02 0.02 -0.01 -0.01 -0.04 -0.07 -0.01 0.11 -0.01 0.00 -0.01 0.10 -0.01 -0.09 0.02 -0.02 -0.02 0.03 0.02 -0.02 -0.01 -0.03 0.04 -0.01 -0.02 0.06 0.01 -0.01 0.04 0.01 0.02 -0.00 0.00 -0.02 0.06 0.05 0.06 -0.06 0.03 0.04 -0.05 0.02 0.00 0.01 -0.07 0.01 -0.03 0.00 0.01 0.08 0.00 0.08 0.01 0.11 -0.06 -0.08 -0.09 0.03 -0.16 -0.07 0.16 0.23 -0.16 -0.16 0.21 -0.01 0.03 -0.01 -0.05 0.14 0.05 0.11 -0.33 -0.17 0.37 0.15 -0.23 -0.06 0.08 -0.07 0.03 -0.07 0.12 0.13 -0.09 -0.11 -0.04 0.07 0.02 0.03 -0.08 -0.04 0.12 0.07 -0.05 0.01 -0.04 0.02 0.02 -0.03 0.05 0.03 0.03 -0.03 -0.00 -0.03 0.08 0.04 0.19 0.04 0.11 0.14 -0.21 0.04 -0.07 -0.10 0.05 0.08 -0.13 0.02 0.01 0.00 -0.00 -0.00 0.00 -0.00 0.03 -0.01 -0.01 -0.01 0.00 0.00 0.00 -0.00 -0.00 0.01 -0.00 -0.01 0.00 0.00 -0.01 -0.01 0.02 0.01 -0.01 0.01 -0.01 -0.00 -0.01 -0.00 -0.00 0.00 -0.02 -0.01 0.02 0.04 0.01 -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 -0.01 0.01 0.00 -0.00 0.01 0.00 0.00 -0.00 0.00 0.01 -0.00 -0.02 0.01 0.02 -0.01 0.01 0.00 -0.03 -0.01 0.02 0.00 -0.02 0.04 0.02 -0.02 0.01 0.01 -0.00 0.00 -0.03 0.00 -0.03 0.13 -0.11 -0.16 0.06 0.20 0.11 -0.22 -0.10 0.06 -0.26 0.36 -0.10 -0.11 -0.19 0.44 0.28 -0.19 -0.24 -0.11 0.13 0.08 0.03 -0.23 -0.09 0.26 0.13 -0.11 0.02 -0.00 -0.02 -0.00 -0.01 0.00 0.01 -0.01 0.01 -0.00 0.00 -0.01 -0.01 -0.03 -0.01 -0.01 -0.02 0.03 0.00 0.01 0.01 0.00 -0.00 0.01 0.00 0.01 -0.00 0.02 0.01 -0.00 -0.03 0.11 0.08 0.03 0.00 -0.02 0.02 0.00 0.00 0.02 0.03 0.02 0.03 0.02 -0.01 0.07 -0.01 -0.09 0.02 0.00 0.05 0.02 -0.01 -0.00 0.04 -0.05 -0.05 0.02 -0.01 -0.01 -0.01 -0.01 0.02 -0.03 -0.02 0.06 -0.04 -0.02 0.03 -0.04 -0.01 0.02 -0.04 -0.02 -0.00 -0.03 -0.02 0.01 -0.03 0.01 -0.02 -0.03 -0.00 -0.05 -0.03 -0.01 -0.03 0.08 0.02 0.03 0.04 0.01 -0.02 0.03 0.01 -0.01 0.21 -0.05 -0.13 -0.02 0.01 -0.23 -0.00 0.12 0.13 -0.01 -0.11 0.14 0.03 -0.03 0.01 0.30 -0.27 -0.34 0.18 0.25 0.15 -0.37 -0.20 -0.02 0.07 -0.09 0.01 0.04 0.03 -0.10 -0.04 0.03 0.05 0.08 -0.08 -0.06 0.00 0.13 0.06 -0.13 -0.08 0.07 0.00 -0.06 -0.02 -0.06 -0.08 0.14 -0.06 -0.02 0.00 -0.02 -0.03 0.02 -0.07 0.03 -0.07 -0.03 0.00 -0.01 0.04 0.02 -0.05 -0.02 0.01 -0.08 -0.02 -0.01 -0.06 0.08 0.02 -0.04 -0.01 -0.00 0.05 0.06 0.01 -0.04 0.02 -0.01 -0.01 0.03 -0.05 -0.00 0.03 -0.06 -0.07 0.02 0.03 0.04 0.02 0.01 -0.02 0.03 -0.01 -0.02 -0.01 -0.01 0.01 -0.06 0.06 0.04 -0.01 0.02 0.02 -0.02 -0.02 0.05 -0.03 -0.00 0.04 -0.03 -0.00 0.03 -0.04 -0.01 0.00 -0.02 -0.02 0.02 -0.01 0.04 -0.02 -0.03 -0.00 -0.04 -0.02 -0.01 -0.02 0.08 -0.07 0.03 0.03 -0.06 -0.15 -0.01 -0.13 -0.06 -0.07 0.03 0.06 0.08 0.04 0.11 0.01 -0.04 -0.06 0.03 0.06 -0.06 0.03 -0.08 -0.03 -0.13 0.07 0.17 -0.09 -0.16 -0.10 0.18 0.07 -0.02 -0.22 0.36 -0.03 -0.20 -0.10 0.30 0.14 -0.03 -0.12 0.19 -0.10 -0.17 0.04 0.33 0.12 -0.27 -0.13 0.13 -0.03 -0.03 0.03 -0.02 -0.03 0.06 -0.06 -0.00 -0.00 -0.00 -0.02 0.03 -0.02 0.09 0.01 0.02 0.06 -0.07 0.01 -0.01 -0.04 -0.02 0.01 -0.09 -0.01 -0.01 -0.05 -0.06 -0.02 0.03 0.01 0.01 -0.02 -0.05 -0.02 0.02 -0.02 -0.00 0.02 -0.02 0.02 0.01 -0.03 0.02 0.05 -0.03 -0.03 0.01 -0.01 -0.02 0.02 -0.01 0.01 -0.01 0.01 -0.02 -0.01 0.04 -0.01 -0.07 0.02 0.05 -0.01 0.01 0.01 -0.03 0.03 0.01 -0.04 0.02 0.01 -0.03 0.03 0.01 -0.01 0.02 0.02 -0.02 0.00 -0.03 0.02 0.02 -0.00 0.04 0.01 0.00 0.03 -0.04 0.03 0.00 -0.03 0.02 0.10 -0.00 0.07 0.04 -0.02 -0.05 0.01 -0.04 -0.04 -0.00 0.00 -0.02 0.03 -0.01 -0.03 0.03 -0.01 0.05 0.00 0.04 -0.05 -0.06 0.04 -0.01 0.02 -0.05 -0.03 -0.04 -0.10 0.10 -0.18 0.05 -0.06 0.10 0.21 -0.07 -0.20 0.33 -0.13 -0.34 0.14 0.49 0.20 -0.37 -0.17 0.12 0.01 0.01 -0.02 0.00 0.01 -0.03 0.05 0.01 -0.01 0.00 0.02 -0.02 0.02 -0.08 -0.00 -0.02 -0.05 0.07 -0.01 0.01 0.04 0.01 -0.02 0.08 0.00 -0.00 0.06 0.03 0.03 -0.01 0.01 0.10 0.05 0.02 0.00 -0.03 -0.01 -0.00 0.03 0.02 -0.02 0.03 -0.00 -0.06 -0.06 0.01 0.03 -0.04 -0.06 0.03 0.11 0.00 -0.01 -0.02 -0.06 -0.10 -0.03 -0.03 -0.00 0.04 -0.02 0.00 0.01 0.01 -0.00 -0.01 0.04 0.04 -0.10 0.04 0.04 -0.09 0.04 0.03 -0.06 0.03 0.04 -0.07 -0.02 -0.05 0.06 0.00 -0.03 0.07 -0.00 -0.02 0.06 0.08 -0.06 0.08 -0.01 -0.05 -0.16 -0.04 -0.17 -0.04 0.12 -0.03 -0.08 -0.06 0.09 -0.15 -0.07 0.20 0.23 -0.15 -0.12 0.21 0.00 -0.05 -0.02 -0.16 -0.10 0.18 -0.13 -0.34 -0.16 0.10 0.02 -0.18 -0.03 0.05 0.06 -0.07 -0.04 0.08 -0.03 -0.03 0.02 -0.10 0.05 0.08 -0.07 -0.08 -0.05 0.07 0.05 0.01 -0.01 -0.06 -0.07 -0.02 -0.07 0.07 0.06 0.03 -0.07 0.02 0.04 -0.07 0.03 -0.21 -0.01 -0.07 -0.13 0.21 -0.05 0.08 0.12 -0.03 -0.08 0.18 -0.04 -0.07 0.16 -0.02 0.02 0.01 0.04 -0.10 0.06 -0.03 -0.01 -0.04 0.02 -0.00 0.03 0.03 -0.03 0.06 0.03 -0.04 0.01 -0.01 -0.06 0.05 0.06 -0.04 -0.01 -0.06 0.04 -0.08 0.09 -0.07 -0.07 -0.07 0.03 -0.05 -0.06 0.25 0.01 -0.01 -0.02 0.04 -0.00 0.01 -0.01 0.00 0.02 -0.02 -0.01 0.01 -0.02 0.00 0.01 -0.01 -0.00 0.01 0.01 -0.01 -0.01 -0.00 -0.01 -0.02 0.01 0.02 -0.05 0.07 0.01 -0.03 0.02 0.08 -0.07 -0.01 -0.12 -0.07 0.08 0.06 -0.08 0.14 0.07 -0.12 -0.06 0.12 0.03 -0.05 -0.06 0.03 -0.08 0.19 -0.16 -0.16 0.19 -0.09 0.01 -0.03 -0.05 -0.18 0.00 -0.05 -0.01 -0.06 0.07 -0.16 -0.15 0.08 0.02 -0.24 0.45 0.04 -0.11 0.18 -0.05 0.17 0.31 0.17 -0.07 -0.02 0.09 -0.00 0.01 0.01 -0.01 0.02 -0.03 0.01 0.00 -0.01 0.01 -0.01 0.02 -0.00 0.00 0.01 -0.02 0.02 0.02 -0.02 -0.02 0.01 -0.02 -0.04 0.04 0.02 0.02 0.02 0.04 0.04 -0.03 -0.01 -0.00 -0.00 0.02 0.02 0.03 0.02 0.02 0.02 -0.01 -0.00 0.00 0.02 -0.02 0.00 0.03 0.00 0.05 -0.02 -0.00 -0.02 -0.08 -0.09 0.02 -0.01 -0.02 -0.02 -0.01 0.05 -0.00 -0.00 0.20 -0.03 0.03 -0.02 0.04 0.01 -0.05 0.06 -0.00 -0.06 0.06 -0.00 -0.02 0.06 -0.06 -0.12 -0.12 0.02 0.00 -0.02 0.03 0.03 -0.05 0.02 0.01 0.02 -0.03 0.02 -0.01 -0.01 -0.03 0.00 0.05 -0.05 -0.01 -0.01 -0.03 -0.03 0.04 0.04 0.09 0.02 -0.05 0.09 -0.02 0.00 -0.02 -0.11 -0.15 0.18 -0.17 -0.18 -0.09 -0.05 -0.04 -0.06 -0.01 -0.03 -0.02 0.01 -0.02 -0.01 -0.01 -0.04 -0.03 -0.04 0.09 -0.01 -0.02 0.05 -0.01 0.02 0.05 0.03 0.04 0.38 0.18 -0.11 0.35 -0.24 -0.01 -0.07 0.08 -0.01 -0.02 0.06 -0.05 -0.10 -0.08 -0.17 0.00 -0.26 -0.05 -0.31 -0.18 0.05 0.04 -0.06 0.06 0.08 -0.16 -0.03 -0.10 0.02 -0.03 0.07 -0.07 0.00 -0.03 0.04 0.00 -0.08 -0.00 -0.02 -0.05 -0.03 -0.05 -0.07 -0.01 0.03 -0.06 -0.09 0.00 -0.08 -0.01 0.04 0.02 0.07 0.00 -0.01 0.08 -0.07 0.23 -0.03 0.09 0.08 0.08 0.01 0.00 -0.06 -0.00 -0.01 -0.00 -0.00 -0.01 0.01 0.01 -0.01 0.02 -0.00 -0.01 0.01 0.02 0.01 0.01 0.01 0.01 0.01 0.01 0.02 -0.01 0.01 -0.05 -0.02 -0.03 -0.07 -0.10 -0.13 -0.10 0.02 0.18 -0.05 -0.13 -0.07 -0.10 -0.22 -0.03 -0.01 0.02 -0.01 -0.13 0.03 0.04 0.03 0.07 -0.04 0.07 0.07 -0.02 0.05 0.07 0.06 -0.04 0.18 -0.10 0.23 -0.07 -0.23 0.20 -0.22 -0.01 0.47 0.07 0.02 0.18 0.05 0.12 0.01 0.09 0.21 0.13 0.09 0.06 -0.01 -0.11 0.02 -0.03 -0.01 0.02 -0.02 0.04 -0.02 -0.01 0.01 0.00 0.04 0.01 0.05 0.00 0.02 0.03 0.03 0.01 0.02 0.02 -0.00 0.02 0.04 -0.03 0.04 0.04 0.03 0.02 0.05 -0.10 -0.01 0.00 0.01 0.05 0.03 0.04 0.01 0.04 -0.01 0.00 0.04 0.03 0.04 -0.05 0.02 0.08 -0.00 0.04 -0.04 -0.00 -0.03 -0.12 -0.10 0.03 0.01 -0.07 -0.03 -0.02 0.05 -0.02 0.05 -0.11 -0.11 -0.03 -0.01 -0.01 -0.06 -0.02 0.03 -0.03 -0.03 0.06 -0.06 -0.04 0.03 0.06 0.13 0.08 -0.01 0.01 -0.01 -0.02 0.03 -0.06 -0.04 0.03 -0.01 0.01 0.03 0.08 0.02 0.10 0.02 0.05 -0.06 0.02 0.03 -0.07 0.01 0.09 -0.00 0.05 0.11 -0.02 0.06 -0.05 0.01 -0.03 -0.15 -0.22 0.26 -0.27 -0.19 -0.12 -0.10 -0.05 -0.05 0.01 -0.10 -0.04 0.08 -0.04 -0.01 0.00 -0.11 -0.05 -0.05 0.09 -0.04 -0.02 0.05 -0.02 0.02 0.06 0.02 0.08 -0.21 -0.27 0.12 -0.22 0.04 -0.04 -0.06 0.11 -0.07 -0.06 0.05 -0.01 0.24 0.07 0.22 0.05 0.12 0.10 0.25 0.10 -0.00 0.03 -0.04 -0.00 0.09 -0.13 0.12 -0.02 -0.07 -0.06 0.01 0.03 0.00 -0.02 -0.00 0.03 -0.04 -0.10 -0.02 0.05 -0.10 0.02 0.13 0.03 0.01 -0.08 0.07 0.01 -0.07 0.06 -0.03 -0.04 0.02 -0.10 0.01 0.03 -0.02 -0.00 -0.06 0.04 0.04 0.02 -0.00 -0.03 0.09 -0.01 0.03 0.06 0.03 0.05 0.01 -0.01 0.05 -0.06 0.05 0.04 -0.04 -0.05 -0.04 -0.03 -0.02 -0.02 -0.01 -0.00 -0.06 0.04 0.01 0.15 -0.19 0.04 0.09 0.28 0.11 0.36 -0.01 -0.05 -0.11 0.08 0.05 -0.07 0.11 0.08 -0.02 0.14 -0.07 -0.13 0.08 -0.03 -0.02 0.02 -0.18 0.04 0.17 -0.26 0.10 -0.09 -0.03 -0.04 0.17 -0.04 -0.07 -0.10 -0.02 0.03 -0.15 0.00 0.09 -0.03 -0.01 0.14 -0.04 0.08 0.01 0.05 0.13 0.08 0.05 0.00 -0.08 0.02 0.04 -0.06 0.15 -0.03 0.09 -0.13 0.11 0.06 -0.08 -0.02 -0.12 -0.07 -0.17 -0.00 -0.02 -0.04 -0.09 -0.05 -0.04 -0.05 -0.01 -0.01 -0.13 0.10 0.02 0.10 0.04 -0.05 -0.11 -0.03 -0.04 0.03 0.04 0.03 0.10 0.06 -0.06 0.03 -0.00 -0.13 -0.01 -0.07 0.07 -0.06 -0.08 0.15 0.01 -0.03 -0.03 0.03 0.07 -0.03 -0.03 -0.02 0.02 0.02 0.01 0.03 -0.04 0.01 -0.02 -0.03 0.04 -0.02 -0.01 0.07 0.02 0.01 0.03 0.00 0.05 -0.05 0.05 0.04 -0.05 -0.01 -0.01 -0.02 -0.01 -0.01 0.01 0.01 -0.03 0.05 -0.14 -0.01 0.03 -0.15 0.04 -0.33 -0.27 -0.21 -0.01 0.23 -0.05 -0.13 -0.05 -0.18 -0.23 0.11 -0.07 -0.12 0.33 0.06 -0.03 -0.04 0.06 0.07 0.01 -0.18 0.07 -0.07 -0.10 -0.07 -0.12 0.01 -0.15 -0.04 0.00 -0.06 0.07 0.02 0.05 0.10 0.01 -0.04 0.08 -0.08 -0.01 0.10 -0.09 0.06 0.00 -0.02 -0.09 -0.03 -0.03 0.06 0.04 -0.00 0.01 0.02 0.11 -0.15 0.10 0.09 -0.13 -0.01 -0.03 -0.03 -0.07 0.02 -0.04 0.00 -0.07 -0.04 -0.03 -0.03 -0.00 0.00 -0.08 0.09 -0.06 -0.02 0.03 0.06 -0.00 -0.06 -0.01 -0.00 0.01 -0.00 0.00 0.02 0.03 -0.01 0.01 -0.00 -0.03 0.01 -0.03 0.02 -0.01 -0.02 0.02 0.00 0.00 0.01 -0.00 0.01 -0.00 0.00 0.00 0.00 0.01 -0.01 -0.00 -0.01 0.12 -0.08 -0.04 0.01 0.15 0.03 0.04 0.14 0.06 -0.09 0.05 0.05 0.09 -0.00 0.09 -0.13 -0.03 -0.05 -0.04 -0.06 -0.06 0.05 -0.07 -0.06 -0.00 -0.03 0.03 -0.01 -0.02 -0.05 -0.02 -0.08 0.02 -0.01 0.03 -0.01 -0.03 0.03 -0.01 -0.02 0.04 0.02 -0.05 0.01 0.01 -0.00 0.02 -0.00 0.02 0.00 -0.02 0.04 -0.02 0.02 0.01 0.01 -0.02 0.01 0.01 0.02 0.01 -0.00 0.03 -0.00 -0.02 0.00 -0.00 -0.02 0.00 -0.02 0.01 -0.01 -0.03 -0.01 -0.01 0.06 -0.28 -0.27 0.33 -0.21 0.18 -0.24 0.03 0.11 0.19 -0.07 0.18 -0.08 -0.20 -0.13 -0.39 0.06 -0.05 -0.09 -0.17 -0.11 -0.09 -0.12 -0.11 0.10 -0.14 -0.11 -0.03 0.05 -0.07 0.11 -0.09 0.10 -0.06 -0.02 -0.03 0.01 0.08 -0.05 0.07 0.08 0.03 -0.02 0.02 -0.05 -0.08 -0.06 -0.00 0.00 0.01 0.04 -0.03 -0.06 0.11 -0.05 0.05 -0.08 -0.02 0.02 -0.04 0.11 -0.06 0.09 0.02 -0.00 0.03 0.04 0.03 -0.09 0.00 0.05 -0.11 -0.01 -0.07 0.08 -0.06 -0.06 0.07 -0.00 0.03 0.02 0.02 0.01 -0.05 -0.02 0.01 -0.04 0.09 0.09 0.01 -0.14 0.12 -0.14 -0.01 -0.14 -0.05 -0.09 -0.11 0.00 -0.07 -0.07 0.01 0.10 0.07 0.15 -0.04 -0.08 0.10 -0.01 -0.07 0.13 -0.04 -0.02 -0.04 -0.09 0.05 -0.12 -0.10 0.06 -0.12 -0.12 -0.02 -0.16 -0.06 0.04 -0.15 0.09 0.19 -0.03 0.13 -0.01 -0.02 0.24 -0.13 0.19 0.15 -0.01 -0.00 -0.08 0.01 0.12 -0.02 0.03 -0.02 -0.08 -0.17 0.26 -0.12 -0.16 0.25 0.06 -0.03 0.07 0.04 -0.02 0.07 -0.11 0.11 0.09 0.04 0.04 -0.06 -0.03 0.03 -0.04 -0.11 0.01 -0.05 0.01 -0.01 0.00 -0.03 -0.00 -0.08 -0.00 0.03 -0.01 0.01 0.04 -0.01 0.02 0.03 -0.02 -0.04 -0.14 0.03 0.05 -0.10 0.06 0.14 0.11 -0.05 -0.04 -0.01 -0.03 0.10 0.14 0.14 -0.05 -0.04 -0.03 0.01 -0.00 0.00 0.00 -0.00 0.01 -0.01 -0.00 0.01 0.00 0.00 -0.01 -0.00 0.00 -0.01 -0.00 0.01 0.00 -0.00 -0.01 0.00 -0.01 -0.00 -0.00 -0.00 0.04 -0.01 -0.01 0.05 0.10 0.11 0.09 -0.05 -0.17 -0.26 0.06 0.03 -0.14 0.13 0.12 -0.09 0.12 0.07 -0.14 0.09 0.16 0.13 -0.03 -0.02 -0.10 0.03 -0.08 -0.05 -0.07 -0.08 0.00 -0.09 0.22 0.29 0.31 -0.03 0.06 0.18 -0.03 0.06 0.18 -0.00 -0.23 0.17 -0.21 -0.02 -0.17 -0.19 -0.09 -0.08 0.01 0.00 0.01 0.01 0.00 -0.00 0.00 0.01 -0.03 0.01 0.01 -0.03 -0.01 0.02 0.00 0.01 0.01 -0.00 0.01 0.01 -0.00 0.00 -0.01 0.01 -0.01 0.00 -0.00 -0.07 -0.01 -0.01 0.13 0.01 -0.01 -0.02 -0.02 -0.02 0.01 0.03 -0.02 0.09 0.03 0.03 0.03 -0.02 -0.01 -0.07 0.02 0.01 -0.04 0.04 0.03 -0.01 -0.05 0.04 -0.01 0.02 -0.03 -0.03 -0.01 -0.03 0.05 -0.02 0.05 0.10 0.01 -0.02 0.01 -0.04 0.09 -0.11 -0.08 0.19 0.05 0.04 -0.13 -0.02 0.04 -0.11 -0.05 0.07 0.01 -0.03 -0.10 0.08 -0.05 -0.03 -0.04 0.09 0.02 0.04 -0.04 0.03 -0.06 0.05 -0.12 -0.01 -0.11 -0.01 0.02 -0.03 0.05 0.05 0.01 0.11 0.11 -0.12 -0.03 0.06 0.00 -0.07 0.05 -0.00 0.01 -0.03 -0.01 0.01 -0.03 -0.02 0.03 -0.05 -0.07 -0.03 -0.08 -0.06 0.00 -0.10 0.02 0.09 -0.01 0.05 0.03 -0.01 0.11 -0.04 0.10 0.09 -0.00 0.04 0.12 0.05 0.01 0.11 0.04 -0.05 0.08 0.18 -0.39 0.11 0.18 -0.37 -0.19 0.28 -0.03 0.04 0.10 -0.09 0.14 0.00 -0.09 -0.03 -0.11 0.14 -0.04 0.04 -0.12 -0.06 0.11 -0.03 -0.07 0.04 -0.05 0.03 -0.02 -0.11 -0.06 0.07 0.10 -0.06 -0.04 0.04 0.10 -0.00 -0.01 -0.01 -0.02 0.02 0.01 0.00 0.00 0.05 -0.12 0.02 -0.00 -0.00 -0.03 -0.04 -0.01 -0.04 0.09 -0.06 0.10 -0.07 -0.01 -0.06 -0.05 0.02 -0.03 0.04 -0.03 0.04 -0.03 0.05 -0.00 0.05 0.01 0.03 0.05 -0.06 -0.02 -0.04 0.03 0.04 0.06 0.04 0.01 -0.11 -0.13 0.12 0.18 -0.09 0.26 0.27 0.20 -0.07 -0.19 -0.07 0.06 0.11 0.05 0.17 -0.03 -0.14 -0.12 0.17 0.11 -0.05 0.09 -0.21 0.04 0.06 -0.08 -0.06 0.09 -0.14 0.01 -0.06 0.08 -0.22 -0.07 0.01 -0.06 -0.17 -0.04 -0.16 0.00 0.16 0.03 0.05 0.02 0.05 0.12 -0.06 0.12 0.16 -0.03 0.13 -0.05 -0.07 -0.14 -0.03 -0.07 0.02 0.01 0.04 -0.01 0.02 0.03 0.01 0.03 -0.06 -0.05 -0.01 -0.03 -0.04 0.09 -0.12 -0.05 -0.07 -0.01 0.04 0.09 0.02 -0.04 -0.07 0.02 0.03 -0.03 0.04 -0.09 0.03 -0.01 -0.04 -0.02 0.03 0.06 -0.03 -0.02 -0.01 0.04 -0.01 -0.01 0.01 0.02 0.01 0.00 0.02 0.01 0.03 -0.05 -0.02 0.01 -0.02 0.01 -0.02 -0.02 -0.02 0.03 -0.02 0.03 0.08 0.05 0.03 0.03 -0.08 0.18 -0.03 0.11 -0.13 0.05 -0.08 0.07 -0.03 0.01 -0.11 -0.11 0.09 0.03 0.13 0.00 -0.16 -0.09 -0.13 0.10 -0.07 -0.07 0.03 0.09 -0.05 0.07 0.07 0.07 -0.02 -0.07 0.00 0.03 0.07 0.06 0.09 -0.03 -0.03 -0.05 0.06 0.06 -0.02 0.05 -0.10 -0.01 0.03 -0.06 0.01 0.04 -0.08 0.03 -0.02 0.02 -0.07 -0.02 0.01 -0.01 -0.09 -0.03 -0.06 -0.02 0.04 0.01 0.00 0.02 0.02 0.02 -0.00 0.03 0.06 -0.02 0.08 0.25 0.17 0.08 0.06 0.12 -0.07 -0.01 -0.05 0.04 0.05 -0.00 -0.10 -0.00 -0.04 0.07 -0.09 0.02 0.13 -0.26 0.21 0.13 0.22 0.14 -0.32 -0.18 -0.17 0.32 0.14 0.11 -0.07 -0.05 0.02 0.03 -0.07 -0.01 -0.00 -0.04 -0.01 0.04 -0.06 -0.09 0.02 -0.03 -0.04 0.06 -0.07 -0.05 -0.04 -0.04 -0.03 -0.04 -0.02 0.04 0.03 0.02 -0.02 0.01 0.03 0.03 0.02 -0.00 -0.01 -0.00 -0.01 0.03 0.01 0.06 0.06 -0.07 -0.10 0.04 0.02 0.13 0.04 0.01 -0.03 -0.12 -0.01 -0.16 0.12 0.01 0.16 -0.13 0.07 0.08 -0.03 -0.09 -0.02 -0.10 0.03 0.04 -0.12 0.37 0.16 0.21 -0.02 0.06 -0.04 -0.08 -0.16 -0.10 -0.16 -0.09 -0.17 -0.18 0.11 0.09 -0.10 -0.02 0.07 0.04 0.04 0.00 -0.05 0.11 -0.09 0.07 0.03 0.02 -0.06 0.02 0.01 0.01 0.06 0.04 0.03 0.03 0.02 0.01 0.03 -0.05 0.00 0.03 -0.04 0.02 -0.04 -0.00 -0.08 -0.03 0.04 0.04 -0.06 0.04 -0.00 0.07 0.03 0.04 0.04 -0.17 0.06 -0.19 0.16 0.00 -0.14 0.13 -0.02 -0.12 0.10 -0.01 0.12 -0.20 0.17 0.05 0.14 -0.12 -0.13 -0.09 0.09 -0.07 -0.05 0.02 0.13 0.03 -0.01 -0.02 0.00 -0.01 -0.06 0.10 -0.04 0.01 0.10 -0.10 0.16 0.04 0.06 0.04 -0.03 0.04 0.05 -0.07 -0.06 -0.03 0.02 -0.01 -0.04 -0.04 -0.03 0.01 0.00 0.01 -0.06 -0.00 0.03 0.02 0.05 -0.08 -0.06 0.02 0.00 0.08 0.06 0.01 -0.01 -0.10 0.01 -0.10 0.07 -0.00 0.10 -0.08 0.08 0.10 0.00 -0.07 -0.11 0.11 -0.06 -0.00 0.14 -0.43 -0.24 -0.12 0.00 -0.03 0.03 0.11 0.28 0.12 0.21 0.01 0.04 0.07 0.01 -0.06 0.06 0.05 -0.12 -0.07 -0.04 0.01 0.02 -0.07 0.06 -0.04 -0.04 -0.00 0.03 -0.02 0.01 0.00 -0.11 -0.07 -0.05 -0.05 -0.01 -0.01 -0.05 0.07 0.02 -0.05 0.07 -0.03 0.07 -0.01 0.15 -0.11 0.01 0.07 -0.10 0.02 -0.01 0.06 0.04 0.05 0.01 -0.15 0.08 -0.11 0.10 0.00 -0.08 0.08 -0.03 -0.07 0.04 -0.02 0.04 -0.17 0.16 0.08 0.12 -0.09 -0.07 -0.01 -0.11 -0.01 -0.01 -0.00 -0.01 0.09 -0.12 0.02 -0.09 0.07 -0.01 0.04 -0.01 0.03 0.12 -0.12 0.00 0.05 -0.01 -0.02 -0.03 0.01 -0.12 0.08 0.11 0.13 -0.18 0.19 0.01 0.02 0.01 0.00 -0.01 0.00 0.01 0.00 0.01 0.02 0.00 -0.01 0.01 0.00 -0.00 0.00 -0.01 -0.02 -0.01 0.01 0.01 0.01 -0.00 0.00 -0.01 -0.01 0.01 -0.01 0.01 -0.02 -0.01 0.08 -0.05 0.06 0.11 -0.17 0.07 0.04 -0.14 -0.22 -0.04 0.05 0.13 0.11 0.16 -0.11 -0.02 -0.05 -0.05 -0.00 -0.02 -0.10 0.01 0.12 0.14 -0.19 0.18 0.16 -0.21 0.21 0.13 -0.18 0.18 -0.06 -0.16 -0.12 0.22 0.12 0.03 0.09 -0.03 -0.05 0.09 -0.08 -0.06 0.17 -0.17 0.12 -0.04 0.04 -0.27 0.01 0.00 0.02 0.01 0.01 0.01 -0.01 -0.01 -0.01 -0.01 -0.00 0.03 0.01 0.00 0.00 0.01 -0.00 -0.00 0.00 -0.00 0.00 -0.01 -0.01 0.04 -0.01 0.00 -0.02 0.07 0.04 0.02 -0.01 -0.04 -0.00 -0.00 -0.06 -0.01 -0.02 -0.01 0.08 -0.06 0.10 -0.01 -0.11 0.09 0.00 -0.05 0.00 -0.03 -0.07 0.01 -0.02 0.14 -0.10 -0.12 0.05 -0.06 0.09 -0.01 -0.02 -0.02 0.03 -0.02 0.02 0.10 0.00 0.07 0.11 0.01 -0.01 0.04 0.03 0.00 0.02 -0.09 -0.09 -0.04 0.08 0.08 0.03 -0.00 0.01 -0.06 -0.04 0.01 -0.11 0.03 -0.08 -0.11 0.16 -0.07 -0.21 0.17 -0.01 -0.15 0.06 0.02 0.04 0.03 -0.06 -0.10 0.04 -0.11 -0.14 -0.12 -0.16 0.05 0.12 -0.09 0.14 -0.07 -0.11 0.07 -0.06 0.05 0.10 -0.10 0.12 0.05 -0.05 0.05 0.07 0.19 0.13 -0.27 -0.14 -0.07 -0.09 0.07 0.07 -0.06 0.05 0.09 -0.14 0.13 -0.10 0.07 -0.07 0.27 0.09 -0.00 0.07 0.12 0.01 0.06 -0.04 -0.10 -0.06 -0.03 0.03 0.16 0.04 0.00 0.02 0.04 -0.00 0.00 0.02 0.01 0.01 -0.01 -0.00 0.18 -0.08 -0.02 -0.12 -0.05 0.01 0.04 -0.06 0.03 -0.02 0.06 0.06 0.04 -0.08 0.01 -0.00 -0.06 -0.12 -0.06 0.09 -0.07 -0.02 0.12 -0.04 0.04 0.02 -0.08 0.02 -0.10 0.07 0.08 -0.07 0.08 -0.10 0.00 0.01 0.01 -0.02 0.02 -0.01 0.11 0.04 0.08 0.14 0.01 -0.01 0.05 0.05 -0.00 0.04 -0.12 -0.12 -0.06 0.10 0.11 0.03 0.00 0.01 -0.06 -0.07 0.02 -0.14 0.04 -0.12 -0.04 -0.21 0.03 0.27 -0.21 0.00 0.05 0.06 -0.01 0.07 -0.04 0.06 0.14 -0.03 0.07 -0.00 -0.12 -0.02 0.10 -0.05 0.01 -0.10 0.03 0.06 -0.06 0.10 -0.14 -0.02 0.03 -0.07 -0.07 0.11 -0.15 -0.06 -0.15 -0.10 0.20 0.09 0.05 0.06 -0.06 -0.05 0.04 -0.02 -0.06 0.09 -0.08 0.07 -0.04 0.05 -0.18 0.17 0.03 0.04 0.13 0.03 0.11 -0.03 -0.13 -0.08 -0.03 0.02 0.23 0.04 0.00 0.02 0.04 -0.00 0.01 0.01 0.02 0.02 0.01 -0.01 0.26 -0.11 -0.01 -0.16 -0.11 -0.06 -0.01 -0.09 -0.01 -0.01 -0.09 -0.03 -0.03 0.19 0.05 -0.06 0.01 -0.09 -0.09 -0.05 -0.09 0.03 -0.07 0.10 -0.01 0.18 0.22 0.01 0.03 -0.02 -0.01 0.05 -0.04 0.04 -0.01 -0.00 -0.00 0.01 -0.01 0.01 -0.03 -0.00 0.09 0.02 0.00 -0.01 0.01 0.02 -0.03 0.03 -0.00 -0.05 -0.02 -0.01 0.04 0.00 0.01 -0.00 -0.00 -0.03 0.04 -0.01 0.03 -0.06 0.01 -0.14 -0.05 0.02 -0.18 0.38 0.09 0.24 -0.03 -0.09 0.07 -0.01 -0.06 -0.02 0.03 0.28 0.37 0.19 -0.01 0.06 0.10 0.03 -0.00 -0.01 0.04 -0.16 0.22 -0.14 0.06 -0.09 -0.00 -0.10 0.12 0.01 0.04 0.02 -0.07 -0.03 -0.03 -0.02 0.02 0.02 0.01 -0.01 0.02 -0.01 0.00 0.00 0.01 -0.02 0.04 -0.01 -0.00 0.08 -0.03 -0.00 0.09 0.01 -0.02 -0.01 -0.04 -0.06 0.14 0.02 -0.01 0.01 0.01 -0.00 0.01 -0.02 0.02 0.01 -0.01 -0.06 0.16 -0.01 0.03 -0.05 -0.01 -0.01 -0.01 -0.02 -0.01 0.03 -0.00 0.00 -0.01 0.01 -0.00 -0.01 -0.02 -0.01 -0.00 -0.02 0.00 0.00 0.02 0.01 0.00 0.03 0.01 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.04 -0.00 -0.03 0.08 0.06 -0.16 -0.03 -0.06 0.18 0.01 -0.11 0.02 0.06 0.12 -0.06 -0.04 0.02 0.04 0.06 0.05 -0.13 -0.03 -0.03 0.06 -0.02 -0.02 0.00 -0.01 -0.02 0.04 -0.01 0.04 -0.00 -0.01 0.01 0.01 0.03 -0.00 0.03 0.02 0.05 0.02 0.01 -0.01 0.02 0.00 -0.00 -0.00 -0.00 -0.00 0.01 -0.01 0.01 -0.01 0.00 -0.01 0.01 0.00 0.00 0.00 -0.01 -0.01 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.01 -0.12 -0.05 -0.03 -0.08 -0.03 -0.01 -0.11 -0.35 0.45 0.08 0.09 -0.01 -0.21 0.22 -0.04 -0.03 0.10 -0.10 0.19 -0.11 -0.10 0.01 -0.07 0.24 -0.12 -0.27 0.39 -0.01 0.01 0.02 0.01 0.00 -0.02 0.00 -0.00 0.01 -0.01 0.01 0.02 0.01 -0.01 -0.04 0.01 -0.00 -0.02 -0.01 -0.01 0.01 -0.02 -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 0.08 0.04 0.07 -0.02 0.05 0.05 -0.05 -0.05 -0.01 -0.02 0.14 0.02 -0.06 -0.08 -0.11 0.08 -0.08 -0.01 0.02 0.03 -0.04 -0.01 0.02 -0.06 0.01 -0.02 -0.03 0.03 -0.01 0.00 -0.00 0.04 -0.02 0.05 -0.02 -0.01 -0.05 0.01 -0.05 -0.02 -0.08 -0.05 0.03 0.06 -0.03 -0.00 0.00 -0.00 0.01 -0.01 0.00 0.01 -0.02 0.01 -0.01 0.01 -0.02 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.11 0.03 0.04 0.17 0.05 0.07 -0.18 -0.01 0.32 -0.19 -0.24 0.18 0.03 0.01 -0.01 0.16 -0.08 -0.05 0.14 -0.08 -0.03 -0.19 -0.29 0.38 -0.20 -0.12 0.42 -0.02 0.01 0.00 -0.01 -0.01 0.04 -0.00 0.00 0.01 -0.01 -0.00 0.00 -0.03 -0.03 -0.06 -0.03 0.00 -0.02 0.02 0.01 0.01 0.01 0.01 0.01 0.01 -0.00 -0.01 0.00 -0.00 0.01 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.06 0.04 0.04 0.05 0.13 -0.10 -0.03 -0.03 0.03 -0.01 0.04 0.10 -0.06 -0.04 -0.04 0.08 -0.07 -0.00 0.03 -0.03 0.00 -0.10 -0.07 0.06 0.00 -0.04 -0.04 0.02 -0.04 0.08 -0.04 0.14 -0.02 0.06 0.00 0.00 0.00 0.01 -0.02 -0.00 -0.04 -0.03 0.04 0.05 -0.02 0.00 0.00 -0.01 0.01 -0.01 0.00 0.01 -0.02 0.01 -0.00 0.00 -0.01 0.00 0.01 0.00 -0.02 -0.01 -0.00 -0.01 -0.00 0.00 -0.00 -0.00 0.01 -0.01 0.00 -0.00 0.01 -0.01 0.02 -0.05 -0.07 -0.04 0.15 -0.01 0.13 -0.05 0.14 -0.06 0.07 0.17 -0.43 0.05 -0.03 -0.01 0.11 -0.08 -0.01 0.11 -0.08 -0.02 0.17 0.22 -0.46 0.01 0.29 -0.38 -0.01 0.07 -0.12 0.01 -0.00 -0.00 0.00 0.02 -0.03 -0.02 -0.06 -0.03 -0.05 -0.02 0.11 -0.14 -0.03 0.16 0.14 0.05 -0.03 0.04 -0.04 -0.06 0.01 0.00 -0.01 -0.01 -0.00 -0.01 -0.00 -0.01 -0.01 0.01 -0.01 0.02 0.03 0.01 -0.02 -0.00 0.01 0.04 -0.00 0.01 -0.01 0.01 0.03 0.01 -0.02 -0.01 -0.01 0.03 -0.02 -0.00 0.02 -0.01 -0.00 -0.03 -0.00 -0.03 -0.07 0.05 0.04 -0.14 -0.02 0.08 -0.15 -0.11 0.17 -0.26 0.20 0.09 0.38 -0.05 0.33 -0.07 0.36 0.16 -0.11 -0.38 0.18 0.02 -0.02 -0.00 -0.01 0.06 -0.09 0.05 -0.02 0.03 0.03 0.01 -0.01 0.01 0.02 0.01 -0.04 -0.02 -0.01 -0.02 -0.00 0.00 0.02 -0.02 0.03 0.01 -0.01 0.01 0.01 -0.02 0.02 0.03 0.00 -0.04 0.07 0.01 -0.01 -0.03 0.05 0.00 -0.03 -0.04 0.04 0.04 -0.04 -0.01 0.03 -0.02 -0.00 0.02 -0.03 -0.00 -0.00 -0.04 0.05 -0.07 -0.00 0.05 0.14 -0.13 0.10 -0.07 -0.02 -0.04 0.00 -0.02 -0.08 0.01 0.07 0.05 -0.05 0.06 0.11 0.09 0.02 -0.02 -0.12 -0.06 -0.11 0.02 0.05 -0.06 -0.02 -0.02 0.03 -0.01 0.03 -0.02 0.03 0.03 0.03 -0.03 0.02 -0.04 -0.04 0.01 -0.01 0.01 0.05 0.01 0.00 0.03 0.02 0.04 0.03 0.03 -0.04 0.03 0.00 0.06 -0.04 0.00 0.08 -0.06 -0.01 -0.10 -0.02 -0.04 -0.19 0.01 0.15 0.04 0.07 -0.16 0.15 -0.23 -0.03 -0.50 -0.00 -0.00 0.10 -0.13 0.23 0.00 0.31 0.12 0.04 -0.24 0.18 -0.01 -0.06 0.03 -0.02 0.04 -0.01 -0.02 0.06 -0.01 -0.01 0.02 0.00 -0.01 -0.02 -0.02 0.07 0.06 0.01 0.08 0.06 0.02 -0.02 0.03 -0.10 0.03 -0.02 0.01 -0.02 0.04 -0.09 -0.05 -0.04 -0.07 0.01 -0.02 0.03 -0.05 0.04 0.03 0.04 0.02 -0.01 0.07 -0.07 -0.02 0.01 -0.02 -0.01 0.08 -0.09 -0.02 0.12 -0.01 0.02 -0.12 0.06 -0.03 -0.04 0.20 0.15 -0.03 0.00 -0.02 0.03 0.01 0.09 0.06 0.00 -0.06 0.04 -0.00 -0.10 0.09 -0.03 0.00 -0.08 -0.07 -0.08 -0.07 -0.09 -0.13 0.01 0.02 -0.02 0.05 -0.05 0.03 -0.02 -0.01 -0.01 0.02 -0.01 0.03 0.01 0.00 0.07 0.01 0.00 -0.04 -0.01 -0.02 -0.01 -0.01 -0.02 -0.02 0.01 -0.03 0.00 -0.03 0.01 -0.00 -0.04 0.03 0.00 0.04 0.00 0.04 0.03 -0.00 -0.11 0.15 -0.05 -0.14 -0.05 -0.06 0.05 -0.35 0.19 0.01 0.07 -0.22 0.18 -0.06 0.27 0.14 -0.22 -0.45 0.12 -0.01 0.04 -0.03 0.03 -0.08 0.14 -0.07 0.06 -0.04 0.05 -0.12 0.16 -0.00 -0.02 0.00 0.00 -0.01 0.02 -0.04 -0.05 -0.02 0.01 -0.03 0.07 -0.02 0.01 -0.00 0.00 -0.03 0.06 0.04 0.01 0.05 0.00 0.01 0.05 -0.01 -0.08 0.08 0.00 0.04 -0.11 -0.05 0.06 0.02 0.02 -0.00 0.00 -0.03 0.04 0.01 -0.05 0.02 -0.03 0.09 0.03 -0.08 -0.06 0.09 -0.05 -0.04 -0.01 -0.03 0.02 0.03 0.05 0.06 -0.04 -0.09 0.03 0.04 0.03 0.09 -0.04 0.06 -0.03 -0.00 0.06 -0.02 -0.03 0.02 0.01 0.03 -0.02 0.04 -0.03 -0.00 -0.04 -0.02 -0.03 0.03 -0.01 0.04 -0.13 -0.02 -0.06 -0.03 0.02 0.05 0.02 0.06 0.03 0.05 0.03 0.04 -0.03 0.08 0.02 0.08 -0.03 0.01 0.13 -0.10 -0.00 -0.13 -0.02 -0.08 -0.00 0.13 -0.06 0.05 0.02 -0.19 0.06 -0.31 0.09 0.26 -0.10 -0.03 -0.21 0.06 -0.21 0.13 -0.21 -0.01 -0.14 0.14 -0.14 0.00 0.06 -0.03 -0.01 -0.04 0.11 -0.10 0.09 -0.09 0.04 -0.11 0.15 -0.00 -0.02 0.01 -0.02 -0.03 0.02 -0.08 -0.09 -0.04 0.03 -0.05 0.10 -0.02 0.00 -0.00 -0.00 -0.03 0.05 -0.17 -0.07 -0.11 -0.12 -0.06 -0.01 -0.01 0.11 -0.09 0.06 -0.01 0.16 0.10 -0.13 -0.05 -0.06 0.02 -0.01 0.09 -0.14 -0.03 0.21 -0.01 0.06 -0.20 0.01 0.06 0.00 0.02 0.06 0.04 -0.00 0.04 -0.01 -0.01 0.01 -0.01 0.00 0.00 0.00 -0.04 -0.03 -0.04 0.03 -0.08 0.01 -0.00 -0.01 -0.00 -0.01 -0.02 -0.00 -0.01 -0.00 -0.00 -0.00 0.00 0.01 0.00 0.00 0.00 -0.00 -0.00 -0.01 0.00 -0.04 -0.01 0.00 -0.00 -0.00 0.00 0.02 -0.01 -0.04 0.08 0.02 0.06 -0.07 0.01 -0.01 0.01 0.01 -0.04 0.04 -0.01 0.02 -0.05 0.07 -0.11 0.04 0.00 -0.02 0.12 -0.02 0.25 -0.10 -0.04 0.08 0.01 0.05 -0.06 0.05 -0.04 0.09 0.02 -0.02 -0.09 0.04 -0.00 0.01 0.00 -0.01 0.02 -0.01 0.01 0.00 0.01 0.02 -0.01 0.02 0.01 0.02 0.01 -0.01 -0.01 -0.00 0.00 0.01 0.01 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.01 -0.08 -0.03 -0.03 -0.02 -0.02 -0.01 0.15 0.25 -0.45 -0.13 -0.25 0.49 -0.04 0.03 -0.03 -0.01 0.03 -0.04 0.09 -0.06 -0.03 0.11 0.13 -0.23 -0.11 -0.14 0.26 0.04 -0.04 0.04 -0.01 0.00 0.01 -0.04 0.10 -0.04 -0.05 -0.06 -0.02 -0.05 -0.02 0.05 0.02 0.02 -0.00 -0.05 -0.02 -0.02 0.08 0.04 0.03 0.04 0.15 -0.06 -0.03 -0.03 -0.03 -0.12 -0.06 -0.10 0.10 -0.02 0.13 0.05 0.02 -0.00 0.02 0.00 -0.01 -0.01 -0.02 -0.01 -0.01 -0.01 0.00 0.01 -0.02 -0.02 -0.02 0.00 -0.00 -0.03 0.02 0.01 0.03 0.01 0.01 -0.05 0.01 0.02 0.09 -0.02 -0.09 0.06 -0.07 -0.02 -0.08 -0.20 -0.02 -0.05 -0.10 -0.01 0.10 0.00 0.02 0.14 0.04 0.05 0.00 0.23 -0.07 -0.11 0.23 -0.17 0.06 0.07 0.07 0.15 -0.07 0.17 0.02 -0.04 0.05 -0.06 -0.09 0.05 -0.31 -0.32 -0.12 0.16 -0.26 0.39 -0.05 -0.06 -0.02 -0.07 -0.08 0.04 0.08 0.02 -0.01 0.07 0.02 0.01 0.02 0.02 -0.05 -0.04 -0.04 0.04 -0.03 0.04 0.01 0.03 -0.01 -0.01 -0.00 0.03 0.00 -0.04 0.02 -0.05 0.03 -0.02 0.02 -0.00 -0.02 -0.08 -0.07 -0.01 -0.04 0.04 -0.00 0.00 0.02 0.02 0.01 -0.01 0.05 -0.01 0.07 -0.05 0.14 -0.04 -0.00 -0.02 0.00 0.02 0.03 -0.00 -0.02 0.01 0.01 0.01 0.01 0.01 0.01 0.02 -0.02 0.01 -0.02 0.05 0.03 0.08 0.04 0.04 -0.07 -0.01 -0.04 0.00 -0.03 -0.05 0.03 0.03 -0.01 -0.09 -0.04 -0.00 0.01 -0.07 0.02 0.04 0.05 0.02 0.02 -0.11 0.18 -0.14 0.02 0.03 -0.23 -0.04 -0.40 0.20 -0.04 -0.10 -0.02 -0.03 0.08 -0.02 0.04 -0.10 -0.03 0.06 0.11 -0.03 -0.00 -0.07 0.00 0.04 -0.08 0.05 -0.02 -0.03 -0.02 -0.05 0.03 -0.07 -0.03 -0.04 -0.03 0.05 0.03 -0.00 0.05 0.03 0.00 -0.02 0.04 -0.06 0.01 0.01 -0.00 0.00 0.02 -0.02 0.09 -0.01 0.01 0.11 0.01 0.13 0.11 0.11 -0.27 -0.17 -0.22 0.32 -0.13 0.15 0.01 0.08 0.00 -0.05 0.06 0.02 -0.02 0.01 0.17 -0.30 0.03 -0.06 0.10 0.02 -0.10 -0.09 0.01 0.00 -0.01 0.02 0.01 0.07 0.05 0.13 0.08 0.02 -0.03 -0.02 -0.00 0.02 -0.01 -0.02 0.03 -0.01 -0.05 -0.11 -0.04 0.02 0.08 -0.01 0.02 0.08 0.06 -0.07 -0.03 -0.05 0.05 -0.01 0.04 -0.03 -0.01 0.01 -0.01 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.01 0.00 0.00 -0.00 0.00 0.01 -0.01 0.00 -0.01 -0.00 -0.00 0.00 -0.13 0.08 0.04 -0.01 -0.02 -0.11 0.10 0.03 -0.02 0.22 -0.00 -0.02 0.03 0.00 -0.07 0.00 0.03 -0.06 -0.20 0.03 -0.05 0.19 -0.06 0.20 -0.38 0.23 -0.04 -0.19 -0.07 -0.29 0.20 -0.40 -0.01 -0.06 0.00 0.01 -0.02 0.04 -0.15 -0.17 -0.08 0.04 -0.09 0.20 -0.09 0.04 -0.08 -0.03 -0.06 0.10 -0.04 -0.01 0.01 -0.03 -0.01 0.01 -0.00 0.00 -0.00 0.01 0.00 0.01 0.00 -0.01 -0.00 -0.01 0.00 -0.00 0.01 -0.01 -0.00 0.02 0.00 0.00 -0.01 0.00 -0.00 0.01 -0.01 0.03 -0.02 -0.01 -0.01 -0.04 -0.00 -0.06 0.09 0.02 -0.04 -0.11 0.07 0.14 -0.02 -0.04 -0.06 0.05 0.04 0.06 -0.05 -0.09 -0.05 -0.01 0.01 -0.01 0.06 0.01 -0.04 0.01 0.00 -0.01 -0.01 0.00 0.02 0.06 0.01 0.01 0.03 0.01 -0.01 -0.01 -0.01 -0.01 -0.01 -0.01 -0.00 0.00 -0.02 -0.02 -0.01 -0.00 -0.00 -0.04 0.02 0.01 0.02 0.00 0.01 -0.22 -0.05 0.26 0.00 -0.09 0.19 0.30 -0.01 -0.18 0.24 0.07 0.01 -0.06 0.12 -0.12 0.03 -0.06 0.03 -0.30 -0.04 -0.13 0.07 -0.01 0.06 -0.00 -0.13 0.26 -0.27 0.23 -0.26 -0.06 -0.12 0.15 0.05 0.06 0.05 -0.05 -0.03 0.01 -0.06 -0.02 0.01 0.04 -0.02 -0.04 0.08 -0.07 0.08 -0.00 0.03 -0.09 0.09 0.03 0.01 0.09 0.03 0.00 -0.00 -0.01 -0.00 -0.04 -0.04 0.02 -0.03 0.05 0.01 0.04 -0.01 -0.01 0.00 0.03 0.00 -0.04 0.03 -0.06 0.03 -0.00 -0.01 0.01 -0.01 0.04 0.01 0.00 -0.01 -0.00 -0.00 -0.05 0.01 0.01 0.01 0.04 -0.01 -0.05 -0.02 -0.02 0.04 0.01 0.01 -0.02 -0.02 -0.01 0.02 -0.02 0.02 -0.03 -0.00 0.02 0.00 0.01 0.04 -0.07 -0.05 -0.03 0.06 -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 0.01 0.00 0.00 0.00 0.00 0.01 -0.01 0.00 -0.00 -0.00 -0.00 0.07 0.06 -0.11 -0.08 0.03 0.02 -0.06 -0.02 0.05 -0.07 -0.04 -0.00 0.07 0.09 0.04 -0.07 -0.06 -0.05 0.04 0.04 -0.01 0.25 -0.02 0.24 0.02 -0.04 0.02 -0.01 -0.02 -0.01 -0.04 0.03 -0.05 0.28 0.18 0.27 -0.02 -0.06 0.16 -0.32 -0.28 -0.03 0.02 0.11 -0.29 0.30 -0.16 0.34 0.12 0.10 -0.14 -0.03 -0.01 0.01 -0.03 -0.01 0.01 -0.00 -0.00 0.01 0.00 0.00 0.01 0.00 -0.01 -0.00 -0.01 0.01 -0.00 0.01 -0.01 -0.00 0.02 0.00 -0.00 -0.01 0.01 -0.00 -0.01 0.00 -0.08 -0.03 -0.01 -0.02 -0.05 -0.03 0.13 -0.06 -0.02 0.01 -0.01 0.05 0.04 0.09 0.00 -0.09 -0.00 0.01 0.07 0.06 0.02 -0.05 -0.02 -0.02 -0.01 -0.04 -0.03 0.03 0.03 0.03 -0.03 -0.02 -0.05 -0.01 0.01 0.00 0.01 0.01 0.01 -0.01 -0.00 -0.00 -0.00 0.00 0.00 -0.01 0.00 -0.00 -0.01 -0.00 -0.00 0.00 -0.01 0.00 0.01 0.00 -0.00 0.01 -0.06 0.01 0.07 0.05 0.03 -0.02 0.23 -0.07 -0.14 0.21 0.27 0.03 -0.14 -0.26 -0.07 0.09 0.22 0.12 -0.02 -0.17 0.09 0.03 0.19 0.09 -0.01 0.11 -0.19 0.19 -0.15 0.19 0.07 0.05 -0.06 0.18 0.14 0.17 -0.03 -0.04 0.10 -0.16 -0.12 0.00 -0.11 0.19 -0.20 0.06 0.08 0.09 0.15 -0.02 0.20 0.04 0.01 -0.00 0.02 0.01 0.01 -0.02 -0.03 0.05 -0.02 -0.03 0.05 -0.02 0.03 0.00 0.02 -0.00 -0.01 0.02 0.00 -0.00 0.01 0.03 -0.05 0.02 0.02 -0.04 0.02 -0.00 0.04 0.01 0.00 -0.05 -0.07 -0.05 -0.05 -0.03 -0.00 0.03 0.06 0.08 -0.05 0.00 -0.08 -0.01 0.07 0.02 0.02 -0.01 -0.01 -0.01 0.01 0.03 0.01 -0.03 0.01 0.02 -0.01 -0.04 0.00 0.02 0.05 0.02 -0.05 -0.04 0.05 -0.01 -0.01 -0.00 0.00 0.01 0.00 0.02 0.04 -0.05 0.02 0.04 -0.04 0.00 -0.01 0.02 0.00 -0.03 0.04 -0.02 -0.02 0.03 0.08 0.19 -0.16 -0.16 0.02 0.17 0.24 -0.09 -0.09 0.07 0.10 0.03 0.07 -0.01 0.03 -0.13 0.06 -0.03 -0.01 -0.03 0.01 -0.02 0.04 -0.01 0.00 0.04 -0.09 0.10 -0.09 0.09 0.00 0.06 -0.08 -0.09 0.01 -0.06 -0.11 -0.06 -0.10 0.06 0.11 0.04 0.12 -0.19 0.19 -0.04 -0.09 -0.07 -0.16 0.03 -0.21 -0.01 0.02 0.10 -0.09 0.01 -0.04 -0.11 -0.16 0.31 -0.08 -0.14 0.29 -0.05 0.05 -0.03 -0.01 0.03 -0.04 0.09 -0.06 -0.03 0.09 0.12 -0.23 0.05 0.12 -0.21 -0.01 0.00 -0.01 0.02 0.01 0.01 0.05 0.03 0.01 0.02 -0.00 -0.02 -0.02 -0.07 0.05 -0.02 0.07 0.01 -0.03 -0.03 -0.02 -0.01 0.01 0.00 -0.01 -0.02 -0.01 0.01 -0.00 -0.02 0.00 0.03 0.00 -0.00 -0.03 -0.01 0.01 -0.02 -0.02 -0.01 -0.02 0.03 0.00 0.01 0.00 0.02 0.06 -0.07 0.02 0.04 -0.06 0.00 -0.01 0.02 -0.02 -0.03 0.05 -0.02 -0.03 0.04 -0.02 -0.17 0.14 0.08 0.00 -0.10 -0.20 0.11 0.07 -0.05 -0.13 -0.02 -0.03 0.02 -0.01 0.08 -0.05 0.01 -0.04 0.05 -0.03 -0.02 -0.05 -0.03 -0.01 0.00 0.04 -0.06 0.07 -0.06 0.01 -0.04 0.06 0.03 -0.04 0.01 0.11 0.06 0.06 -0.02 -0.07 -0.03 -0.07 0.11 -0.09 0.01 0.06 0.02 0.10 -0.03 0.15 0.06 0.06 0.06 -0.04 0.03 -0.10 -0.15 -0.22 0.44 -0.11 -0.19 0.36 -0.05 0.05 -0.03 -0.01 0.03 -0.04 0.08 -0.05 -0.03 0.08 0.14 -0.27 0.08 0.14 -0.28 0.01 -0.01 0.02 0.00 -0.00 -0.01 -0.01 -0.03 -0.04 0.00 0.01 0.01 0.01 0.06 -0.02 -0.02 -0.06 -0.00 0.06 -0.04 0.00 -0.04 0.04 -0.00 -0.07 0.01 -0.07 0.00 0.00 0.00 -0.01 0.11 0.03 0.06 -0.08 0.04 -0.01 -0.01 0.02 -0.00 0.00 -0.01 0.00 0.00 0.00 -0.00 -0.00 0.01 -0.00 -0.00 0.01 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.01 0.01 0.11 -0.07 -0.09 -0.03 0.15 0.12 -0.02 -0.05 -0.00 -0.08 0.02 0.10 -0.00 0.05 -0.12 0.04 -0.06 -0.06 0.09 -0.04 -0.23 -0.03 -0.25 0.00 -0.01 0.01 -0.01 0.00 -0.00 -0.01 0.00 -0.00 0.02 -0.21 -0.05 0.46 0.30 0.20 0.01 -0.21 -0.14 -0.09 0.08 0.07 -0.07 0.13 -0.02 0.15 -0.14 0.40 -0.01 -0.00 0.03 -0.02 0.00 -0.00 0.01 0.03 -0.04 0.01 0.02 -0.03 0.00 -0.00 -0.00 -0.01 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.01 0.02 -0.01 -0.02 0.03 0.01 0.01 0.02 0.02 0.00 0.03 -0.00 0.01 -0.00 -0.03 -0.03 0.00 -0.04 0.05 -0.03 0.00 -0.06 -0.01 -0.12 0.20 -0.07 0.11 -0.18 0.10 -0.00 -0.02 -0.01 -0.00 -0.01 -0.03 -0.01 0.02 0.02 0.00 -0.04 -0.01 0.02 -0.02 -0.03 -0.00 -0.01 0.00 0.00 0.01 0.00 0.00 0.02 -0.00 0.00 0.01 -0.00 0.01 0.00 0.00 -0.00 -0.00 0.00 -0.01 -0.01 -0.00 0.02 0.15 -0.12 0.01 -0.08 0.09 0.12 -0.01 -0.05 -0.13 0.41 -0.06 -0.08 0.23 -0.01 0.08 -0.27 0.01 0.49 -0.19 0.17 -0.04 -0.06 -0.06 -0.05 0.04 0.01 -0.06 0.08 -0.05 0.01 -0.05 0.07 -0.03 -0.09 -0.05 0.13 0.08 0.04 0.04 -0.03 -0.03 -0.07 0.09 -0.07 -0.02 0.07 -0.00 0.07 -0.05 0.15 0.03 0.05 0.05 -0.06 0.02 -0.10 -0.02 -0.01 0.06 0.00 -0.02 0.04 0.01 -0.03 -0.02 -0.04 0.02 -0.00 0.01 -0.03 -0.01 -0.00 0.00 -0.03 0.00 0.00 -0.04 0.00 0.00 0.01 0.00 -0.00 -0.02 -0.00 0.00 -0.01 0.00 -0.00 0.00 0.02 -0.01 0.01 -0.01 0.01 -0.00 -0.01 0.01 0.00 0.01 -0.01 0.00 -0.00 -0.00 -0.00 -0.01 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.02 0.02 0.02 -0.00 0.01 -0.00 -0.00 -0.01 0.00 0.01 0.01 -0.05 -0.01 -0.02 0.05 -0.01 -0.01 -0.01 -0.02 -0.05 0.08 0.04 0.06 -0.08 0.01 -0.03 0.03 -0.02 0.03 -0.00 -0.01 0.01 -0.00 0.01 0.01 -0.00 -0.01 0.03 -0.01 0.02 -0.01 0.01 -0.01 -0.02 -0.00 -0.01 -0.01 -0.01 -0.01 0.02 -0.02 0.01 0.00 0.01 0.01 0.00 0.00 -0.00 -0.01 -0.00 0.01 0.01 0.00 0.01 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.01 -0.01 0.01 -0.03 -0.04 -0.05 0.04 -0.01 0.07 -0.10 -0.15 0.26 0.08 0.17 -0.29 -0.00 0.02 0.02 0.05 -0.04 0.01 -0.02 0.04 0.01 0.17 0.27 -0.49 -0.16 -0.28 0.53 0.01 0.01 0.03 -0.00 -0.03 -0.07 -0.02 0.01 -0.05 0.01 -0.02 0.00 0.10 -0.05 0.05 -0.03 0.06 -0.01 -0.02 0.05 0.01 0.02 -0.06 0.00 -0.01 -0.01 -0.02 -0.03 0.00 -0.02 0.01 0.01 0.01 0.01 -0.02 0.01 -0.08 0.12 0.06 -0.02 0.03 0.04 -0.01 -0.03 -0.02 0.00 -0.07 -0.03 0.01 0.02 -0.01 -0.03 -0.03 -0.03 0.04 -0.02 -0.03 0.03 0.02 0.06 0.05 -0.11 0.09 -0.13 0.14 -0.00 -0.01 0.02 -0.01 0.06 0.07 -0.01 -0.06 0.11 -0.06 0.08 -0.06 0.04 -0.04 -0.07 -0.01 -0.04 -0.04 -0.05 -0.04 0.08 -0.10 0.05 -0.01 0.04 0.03 0.02 -0.01 -0.01 -0.02 -0.02 0.06 0.04 0.00 0.04 0.01 -0.01 -0.01 0.01 0.01 -0.01 0.02 -0.01 0.02 -0.03 0.07 -0.20 -0.25 -0.35 0.29 -0.12 0.44 -0.03 -0.05 -0.07 -0.10 -0.03 0.11 -0.05 0.14 0.09 0.24 -0.14 0.01 -0.05 0.17 0.05 0.03 -0.07 0.15 0.07 0.17 -0.13 -0.00 -0.00 -0.01 0.01 0.01 0.03 0.01 -0.01 0.02 -0.01 0.00 -0.00 -0.03 0.02 -0.02 0.01 -0.02 -0.00 0.00 -0.01 -0.01 -0.01 0.02 0.01 0.01 0.00 0.01 0.01 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.01 -0.00 0.01 -0.03 -0.03 -0.00 0.01 0.00 -0.02 -0.04 -0.02 0.00 0.07 0.04 0.03 0.12 0.07 -0.07 -0.08 -0.07 0.03 -0.07 -0.03 0.01 -0.02 -0.00 -0.01 0.04 -0.03 0.04 -0.05 0.01 0.00 0.01 -0.00 -0.03 -0.01 0.00 0.03 -0.03 0.03 -0.03 0.01 -0.02 0.04 0.02 0.01 0.02 0.01 0.02 0.01 -0.02 0.04 -0.02 0.01 -0.02 -0.01 -0.01 0.01 0.00 0.00 0.01 -0.01 -0.01 0.00 -0.02 -0.01 -0.00 0.00 -0.00 -0.01 0.00 -0.00 0.00 -0.01 0.01 -0.02 0.03 0.05 0.07 -0.06 0.02 -0.11 -0.10 0.09 0.02 0.03 0.11 0.10 -0.11 0.31 0.21 0.57 -0.34 0.01 -0.13 0.40 0.11 -0.06 -0.16 -0.11 0.08 -0.14 -0.06 -0.00 -0.01 -0.02 0.01 -0.04 0.12 -0.01 -0.03 0.06 -0.02 0.01 0.00 -0.09 0.05 -0.07 0.03 -0.07 -0.01 0.03 -0.03 -0.03 -0.02 0.06 0.03 0.00 0.01 0.01 0.05 0.01 0.00 -0.00 -0.01 -0.01 -0.00 0.01 -0.00 0.02 0.14 -0.13 -0.04 -0.01 0.08 -0.01 -0.01 0.00 0.01 -0.04 -0.08 -0.00 -0.01 -0.03 0.01 0.01 -0.01 0.02 -0.02 0.02 0.02 0.02 0.03 -0.03 0.16 -0.16 0.08 -0.11 0.03 0.07 -0.04 -0.03 -0.11 0.02 0.01 0.12 -0.11 0.10 -0.19 0.03 -0.11 0.16 0.09 0.04 -0.00 0.11 0.03 0.04 -0.12 0.16 -0.11 0.05 -0.11 -0.06 -0.04 0.03 0.02 0.04 0.03 -0.06 -0.04 0.00 -0.04 -0.01 0.01 0.00 -0.01 0.01 -0.01 0.01 -0.01 -0.02 0.00 -0.01 -0.15 -0.20 -0.46 0.28 -0.11 0.27 -0.08 -0.19 0.18 -0.09 -0.06 0.08 0.07 -0.07 0.01 -0.02 -0.01 0.04 -0.08 0.03 0.02 0.09 0.08 -0.03 0.00 0.11 0.01 -0.01 0.01 0.00 0.00 -0.02 0.03 0.15 -0.01 -0.01 -0.00 0.01 -0.01 -0.03 0.07 0.00 -0.05 -0.05 -0.01 -0.07 -0.02 0.04 0.03 -0.00 -0.06 0.07 0.01 -0.01 -0.04 -0.01 0.04 -0.07 0.02 0.01 -0.03 0.05 0.01 0.01 0.02 -0.02 -0.01 -0.00 0.01 -0.00 -0.00 0.00 0.00 -0.01 -0.01 -0.00 -0.00 -0.01 0.00 0.00 -0.01 0.00 -0.00 0.00 0.00 0.00 0.01 -0.04 0.09 -0.01 -0.01 -0.10 0.18 -0.07 0.19 -0.01 0.12 -0.06 -0.02 -0.16 0.02 -0.11 0.27 0.07 0.15 -0.15 -0.11 -0.01 0.19 -0.36 0.02 0.02 0.04 -0.14 0.17 -0.16 0.17 0.03 0.08 -0.10 -0.08 -0.25 -0.10 0.26 0.16 0.08 -0.01 -0.17 -0.12 0.08 -0.07 -0.04 0.08 -0.13 0.07 -0.06 0.11 -0.26 -0.04 -0.03 -0.06 0.05 -0.02 0.03 -0.02 -0.03 0.02 -0.02 -0.01 0.02 0.03 -0.02 0.01 -0.01 -0.01 0.02 -0.03 0.01 0.01 0.01 0.01 -0.00 0.00 0.02 0.00 -0.03 0.01 -0.08 0.11 0.02 -0.12 0.10 -0.09 0.13 0.00 -0.01 0.03 -0.03 0.07 0.06 -0.02 -0.04 -0.06 0.00 -0.03 -0.08 -0.05 0.05 0.07 0.04 0.02 0.05 0.02 -0.04 -0.07 -0.05 -0.00 -0.03 -0.02 0.04 -0.02 -0.10 -0.03 0.15 -0.01 0.02 -0.02 0.00 0.01 -0.01 -0.02 -0.04 -0.01 -0.01 -0.01 0.00 0.00 -0.01 0.02 0.03 -0.01 -0.00 0.02 0.02 0.01 -0.08 -0.11 0.24 0.01 -0.09 0.16 -0.04 0.22 -0.06 -0.20 0.09 -0.01 0.16 -0.02 0.14 -0.16 -0.10 -0.12 0.32 0.12 0.08 0.08 0.08 0.10 -0.12 0.14 0.04 -0.14 0.25 -0.12 0.10 -0.17 0.27 0.01 -0.07 0.01 0.06 0.02 0.07 -0.11 -0.15 -0.07 0.02 -0.03 0.01 -0.02 -0.01 -0.04 -0.06 0.05 -0.12 -0.06 -0.05 0.07 0.01 0.01 0.10 -0.04 0.02 -0.10 -0.05 0.03 -0.05 -0.05 0.04 -0.03 -0.03 0.04 -0.03 0.09 -0.06 -0.03 0.03 -0.01 0.04 -0.01 0.08 0.04 0.02 -0.03 0.02 0.15 0.04 -0.02 -0.03 0.15 -0.05 -0.03 0.02 -0.01 -0.14 0.01 -0.05 -0.00 -0.04 0.03 -0.00 -0.01 0.03 0.02 -0.02 -0.04 -0.00 -0.00 0.00 0.00 -0.00 0.04 0.03 -0.03 0.01 -0.00 -0.04 -0.02 -0.04 -0.03 0.08 -0.04 0.01 -0.01 -0.01 0.02 -0.02 -0.07 -0.06 -0.05 -0.06 0.06 0.02 0.03 -0.00 0.03 0.09 -0.09 -0.03 0.09 0.06 0.06 -0.07 0.12 -0.14 0.26 -0.24 -0.07 0.02 -0.05 0.03 0.05 -0.20 0.00 -0.07 -0.05 -0.06 0.12 0.04 0.07 -0.15 -0.05 -0.04 -0.00 -0.03 -0.00 0.04 -0.05 0.01 0.05 -0.08 0.06 -0.02 0.03 -0.05 -0.03 0.06 -0.01 -0.14 -0.08 -0.08 0.06 0.12 0.07 -0.09 0.11 -0.10 0.01 0.07 0.02 0.11 -0.04 0.17 0.01 -0.00 0.06 -0.01 0.02 0.00 -0.33 0.02 -0.14 -0.32 0.14 -0.06 -0.02 -0.02 -0.06 -0.08 0.07 -0.04 0.11 -0.12 -0.04 0.02 -0.19 -0.07 0.02 0.24 0.13 -0.00 0.00 0.00 -0.03 -0.01 0.03 0.00 -0.02 0.00 0.00 -0.01 -0.00 0.02 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.01 0.00 -0.00 0.01 0.00 0.00 0.01 0.00 0.02 0.02 -0.05 -0.01 -0.01 0.03 0.03 0.07 -0.12 -0.01 -0.01 -0.00 -0.02 -0.01 0.04 -0.04 -0.07 0.13 0.01 -0.01 -0.01 0.01 0.01 0.01 0.02 0.01 -0.01 -0.04 0.03 0.01 0.00 0.01 -0.01 0.00 0.03 -0.00 0.00 -0.00 0.00 -0.01 0.01 -0.01 0.01 0.00 0.00 0.00 -0.01 -0.00 0.01 -0.02 0.01 -0.00 -0.01 -0.01 -0.01 0.01 -0.02 -0.00 -0.01 -0.00 0.03 0.02 0.01 -0.01 -0.02 -0.01 0.02 -0.02 0.01 0.00 -0.02 0.00 -0.02 0.01 -0.03 0.02 0.01 -0.05 0.02 -0.01 -0.00 -0.02 0.02 -0.04 0.02 0.10 -0.15 -0.46 0.40 -0.11 0.12 0.13 -0.29 0.56 -0.22 -0.17 -0.01 -0.04 0.02 0.01 0.02 -0.00 0.01 -0.02 0.01 0.12 0.02 -0.03 -0.01 0.09 -0.02 -0.02 0.02 -0.01 -0.09 0.02 -0.03 -0.01 -0.04 0.01 -0.00 -0.01 0.01 0.01 -0.01 -0.02 0.01 0.00 0.01 0.00 -0.01 0.02 0.01 -0.02 0.00 -0.01 -0.03 -0.02 -0.10 0.03 0.05 -0.00 -0.01 0.02 0.04 -0.00 -0.03 0.08 0.04 0.04 0.07 -0.07 -0.01 -0.05 -0.02 0.01 -0.07 0.10 0.03 -0.11 -0.06 -0.07 -0.04 0.09 -0.09 0.17 -0.18 -0.01 0.01 0.00 0.00 0.01 -0.13 0.00 -0.03 -0.04 -0.03 0.06 0.01 0.03 -0.06 -0.02 -0.02 0.01 -0.02 0.01 0.02 -0.02 0.01 0.03 -0.04 0.03 -0.00 0.01 -0.01 -0.02 0.03 -0.01 -0.08 -0.05 -0.05 0.02 0.06 0.04 -0.06 0.08 -0.07 0.01 0.05 0.01 0.07 -0.02 0.11 -0.12 -0.10 -0.13 0.04 -0.05 0.17 0.41 -0.04 0.12 0.42 -0.14 0.03 -0.15 0.17 0.03 0.12 -0.03 -0.06 0.07 0.06 -0.01 0.06 0.26 0.17 -0.04 -0.23 -0.15 -0.00 -0.02 -0.03 0.07 0.03 0.01 -0.03 -0.06 -0.04 -0.06 0.06 0.05 -0.07 -0.07 -0.06 0.06 0.05 0.05 -0.01 -0.00 0.09 0.01 0.01 -0.04 -0.02 -0.03 -0.10 0.04 -0.03 -0.04 0.01 0.04 0.02 -0.00 0.04 0.07 -0.02 -0.00 0.02 -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 -0.09 -0.11 -0.02 -0.08 0.18 -0.18 -0.13 -0.12 0.12 0.25 0.35 0.03 -0.15 -0.18 -0.09 -0.12 0.16 -0.02 0.19 -0.15 0.12 -0.03 -0.23 -0.15 -0.06 0.03 0.12 -0.10 0.17 -0.09 0.05 -0.15 0.20 0.00 -0.05 -0.02 0.13 0.10 0.02 0.07 0.00 -0.03 0.14 -0.15 0.08 0.08 -0.19 0.09 -0.10 0.07 -0.23 -0.01 -0.01 -0.01 0.00 0.00 0.01 0.02 0.00 0.01 0.01 0.00 0.00 -0.00 0.00 -0.00 -0.01 0.01 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.01 -0.01 -0.01 -0.02 -0.00 -0.04 -0.01 -0.01 -0.02 0.12 -0.04 -0.06 0.02 0.03 0.09 -0.02 0.00 -0.03 -0.01 0.01 0.01 -0.02 0.06 -0.02 0.00 -0.01 0.13 0.03 0.08 0.05 -0.01 -0.04 -0.08 -0.03 0.01 -0.03 -0.03 -0.08 0.01 0.00 -0.01 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.14 0.05 -0.07 -0.11 0.06 0.07 0.13 -0.03 -0.04 0.12 0.03 0.03 -0.12 -0.40 -0.05 -0.31 0.14 -0.11 0.19 -0.11 0.11 0.27 -0.15 0.18 -0.03 -0.03 0.15 -0.12 0.14 -0.13 -0.01 -0.11 0.14 -0.13 -0.20 -0.11 0.07 0.05 -0.01 -0.00 -0.10 -0.07 -0.13 0.17 -0.18 -0.02 0.15 -0.03 0.14 -0.02 0.15 0.00 0.01 0.01 -0.01 -0.00 -0.00 0.00 0.00 0.00 -0.01 0.01 -0.00 0.00 -0.00 -0.00 -0.01 0.00 0.00 -0.00 -0.00 0.00 -0.01 -0.01 -0.01 0.00 -0.00 -0.00 0.01 -0.04 -0.03 -0.05 -0.03 0.03 0.01 0.03 -0.02 -0.01 0.23 0.03 0.06 0.06 -0.05 -0.00 -0.07 0.04 0.03 -0.03 0.01 -0.05 -0.05 -0.03 -0.04 0.03 0.02 -0.02 -0.13 -0.02 0.02 -0.02 -0.01 0.01 -0.02 -0.01 0.02 0.02 -0.03 -0.01 -0.02 -0.00 0.00 -0.01 -0.01 0.01 0.01 0.01 -0.00 0.02 0.01 0.00 0.01 0.01 -0.00 -0.01 -0.00 -0.00 -0.01 -0.00 0.01 -0.17 0.17 0.01 -0.09 0.06 -0.20 0.14 0.11 0.04 0.02 0.01 0.05 0.30 -0.02 0.19 -0.09 0.10 0.03 -0.09 0.01 -0.07 0.12 0.01 -0.17 0.27 -0.12 0.16 0.14 0.21 0.33 -0.20 0.37 0.02 0.09 0.03 -0.11 -0.08 -0.03 -0.02 0.06 0.05 -0.04 0.04 0.01 -0.02 0.06 -0.02 0.03 -0.04 0.11 -0.01 -0.01 -0.03 0.00 -0.02 0.02 0.05 -0.00 0.03 -0.04 0.02 -0.00 -0.00 -0.01 -0.01 -0.03 0.02 -0.00 0.01 -0.02 -0.01 -0.04 -0.05 -0.04 0.02 -0.05 -0.02 -0.00 0.01 0.00 0.02 -0.01 -0.01 -0.00 -0.01 0.00 0.01 -0.02 0.00 -0.01 -0.01 0.01 -0.00 0.01 -0.01 -0.00 0.00 -0.01 0.01 0.00 0.00 0.01 -0.00 0.01 -0.00 0.01 0.00 -0.01 0.00 -0.00 0.00 0.00 -0.01 0.00 0.07 0.04 -0.03 -0.08 -0.05 0.02 -0.08 -0.04 0.06 0.08 0.06 -0.04 0.10 0.04 0.01 0.06 0.04 -0.01 -0.04 -0.03 -0.00 -0.04 -0.02 -0.04 0.01 -0.01 -0.01 0.02 -0.01 0.04 -0.03 -0.02 -0.01 -0.01 -0.00 0.01 0.00 0.01 -0.00 -0.00 -0.00 -0.03 0.02 -0.02 0.02 0.00 0.02 0.01 -0.01 -0.01 -0.01 -0.01 -0.01 -0.03 0.02 -0.04 0.00 -0.02 0.00 0.02 0.01 0.02 -0.01 -0.03 -0.02 -0.00 0.00 0.00 -0.01 0.01 -0.02 -0.01 -0.00 -0.00 0.06 -0.04 -0.14 0.11 -0.04 0.21 0.37 0.01 0.14 -0.36 0.17 -0.02 0.01 -0.08 -0.09 -0.26 0.17 0.01 -0.01 -0.12 -0.02 -0.27 -0.32 -0.26 0.14 -0.34 -0.14 0.00 0.03 0.02 0.05 0.03 0.03 -0.08 -0.12 -0.05 0.03 0.04 0.02 -0.09 -0.07 -0.06 0.04 0.05 0.03 0.03 0.01 -0.01 0.02 -0.02 -0.02 0.07 -0.03 0.16 -0.03 -0.02 -0.00 -0.08 0.04 -0.04 0.03 0.03 -0.09 -0.00 -0.01 -0.01 -0.01 0.00 0.01 0.00 0.01 0.00 -0.01 -0.00 -0.01 0.01 -0.01 -0.00 -0.00 -0.01 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.16 -0.07 -0.06 -0.14 0.19 -0.11 0.10 -0.25 0.02 0.01 -0.01 -0.00 0.09 0.29 0.02 0.13 -0.02 0.06 -0.24 0.04 -0.11 0.18 0.10 0.29 -0.04 0.08 -0.09 0.06 -0.00 0.08 0.07 0.00 0.02 0.06 -0.14 0.05 0.15 0.07 0.18 -0.18 -0.27 -0.13 -0.07 0.04 0.06 -0.19 0.17 -0.26 -0.06 -0.05 0.06 -0.01 0.00 0.01 -0.00 0.01 -0.03 -0.05 0.00 -0.01 0.05 -0.02 0.01 -0.00 0.01 0.01 0.02 -0.01 -0.00 0.00 0.01 0.00 0.04 0.04 0.04 -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 -0.01 -0.00 -0.00 0.01 -0.00 0.00 0.01 0.00 0.01 0.03 -0.01 0.00 0.03 -0.01 0.00 -0.00 -0.00 -0.00 -0.04 -0.03 -0.03 -0.03 0.05 0.02 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.02 -0.00 0.00 -0.01 -0.00 -0.01 0.28 -0.07 0.06 0.31 -0.08 0.06 -0.00 0.01 0.00 0.01 -0.00 0.00 -0.01 0.01 0.00 -0.35 -0.38 -0.32 -0.27 0.55 0.22 0.00 -0.01 -0.00 0.01 0.01 0.01 -0.09 -0.02 0.05 0.08 0.04 -0.03 -0.03 -0.01 -0.02 0.02 0.03 0.01 0.04 -0.01 -0.06 -0.02 -0.01 0.06 0.12 0.09 -0.10 -0.04 -0.02 0.01 -0.06 -0.04 0.08 -0.08 -0.05 0.04 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.11 -0.17 0.12 -0.00 0.05 -0.07 0.12 -0.13 -0.02 -0.10 0.19 -0.00 0.13 -0.06 0.09 0.00 -0.15 -0.02 -0.15 0.17 -0.11 0.13 0.12 -0.08 -0.02 0.08 -0.15 0.11 -0.05 0.13 0.09 0.04 -0.03 -0.29 -0.21 -0.23 0.05 0.09 -0.16 0.23 0.10 -0.02 -0.02 0.09 -0.28 0.22 -0.07 0.29 0.18 0.08 -0.03 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.01 0.00 0.00 0.02 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.01 0.02 0.01 0.00 0.00 0.00 0.01 0.01 -0.01 -0.00 -0.00 0.00 -0.01 0.01 -0.01 -0.01 -0.01 -0.01 0.01 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.01 -0.00 0.01 -0.00 0.01 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.07 -0.04 -0.03 0.12 0.09 0.10 -0.15 0.17 0.04 0.09 -0.07 -0.01 -0.10 -0.01 -0.04 0.06 -0.07 -0.02 -0.08 0.03 -0.01 0.10 -0.02 0.02 0.01 0.00 -0.02 -0.05 0.04 0.01 0.00 -0.01 0.00 -0.00 -0.01 -0.00 0.01 0.03 0.00 0.04 -0.01 0.02 0.01 -0.00 0.00 0.00 0.02 0.00 0.01 -0.02 0.02 0.00 -0.01 0.00 -0.00 -0.01 0.01 -0.01 -0.00 -0.01 -0.00 0.00 -0.01 0.01 0.01 0.00 -0.01 0.01 -0.01 0.01 0.00 0.01 0.01 0.00 0.01 -0.26 -0.07 0.04 -0.14 -0.00 -0.11 0.42 -0.16 0.06 -0.27 0.03 -0.07 0.10 -0.08 0.02 0.21 -0.13 -0.00 0.12 -0.06 -0.03 -0.28 -0.20 -0.19 0.26 -0.35 -0.11 -0.01 -0.02 -0.00 -0.01 -0.01 0.00 -0.03 0.09 -0.01 0.12 0.03 -0.03 0.00 -0.00 0.01 -0.04 0.02 0.01 0.01 -0.03 -0.02 -0.05 -0.01 0.07 -0.02 -0.08 0.01 -0.05 -0.02 0.01 0.02 0.04 -0.03 0.03 0.04 -0.01 -0.00 0.00 -0.00 0.01 0.00 0.00 -0.01 0.01 0.00 0.00 -0.00 -0.00 -0.01 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.01 -0.00 0.00 -0.01 0.04 -0.02 0.28 -0.21 -0.08 0.10 -0.06 -0.04 -0.02 0.46 0.01 -0.01 -0.41 0.03 -0.14 -0.15 -0.08 -0.01 0.15 -0.05 0.04 -0.35 0.01 -0.02 0.09 -0.18 0.11 -0.03 0.13 0.12 0.06 -0.04 0.13 0.02 0.09 0.03 0.00 0.10 -0.09 -0.09 -0.03 0.05 -0.08 0.13 -0.08 -0.03 -0.13 -0.12 -0.02 -0.06 0.05 0.01 -0.03 -0.07 -0.02 0.02 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 -0.00 -0.02 -0.01 -0.01 0.01 -0.01 -0.00 0.01 -0.01 0.02 0.01 0.01 -0.01 0.02 0.05 0.04 -0.14 0.06 -0.14 0.00 -0.03 0.00 -0.03 0.01 0.01 0.04 -0.02 -0.04 -0.05 0.03 0.02 -0.00 -0.02 -0.00 0.05 -0.00 0.06 0.00 0.01 -0.01 0.01 0.01 -0.00 0.00 -0.01 0.01 -0.01 0.00 -0.00 0.01 -0.01 -0.00 -0.00 0.00 0.00 0.01 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.01 0.00 -0.00 0.03 -0.14 0.10 -0.27 0.18 0.12 0.34 -0.23 -0.12 -0.05 0.15 -0.01 0.11 -0.07 0.07 0.51 -0.23 0.21 0.18 0.07 0.03 0.02 -0.15 -0.01 0.11 -0.22 0.18 0.04 -0.14 0.02 -0.05 -0.04 0.05 0.04 0.01 0.03 0.02 0.01 0.02 -0.01 -0.02 -0.01 0.02 -0.03 0.04 -0.02 -0.02 -0.03 -0.04 -0.00 -0.02 -0.03 -0.00 0.04 0.08 0.03 -0.03 -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 0.00 0.01 0.01 0.01 -0.01 0.01 0.00 -0.03 -0.00 0.00 0.01 0.01 0.01 0.13 -0.01 -0.03 0.09 0.00 0.04 -0.03 -0.10 0.03 -0.07 0.04 -0.01 -0.03 -0.09 0.03 -0.06 0.04 -0.04 -0.03 0.07 0.01 -0.02 -0.00 -0.02 0.01 -0.04 0.00 -0.00 -0.03 0.00 -0.01 -0.00 -0.01 0.03 -0.00 0.01 0.02 -0.01 0.00 -0.00 0.01 0.00 -0.00 -0.01 -0.00 -0.01 0.00 0.00 -0.01 0.00 -0.00 -0.00 0.00 -0.00 -0.08 0.33 -0.39 -0.10 0.05 0.08 0.35 -0.22 -0.15 0.12 0.32 0.00 -0.02 0.27 -0.04 0.11 -0.02 0.03 0.29 -0.11 0.14 -0.07 0.19 -0.01 -0.04 0.08 -0.09 0.00 0.05 0.01 0.05 0.03 -0.03 -0.05 0.07 -0.02 -0.08 -0.05 -0.07 0.02 0.08 0.06 -0.05 0.06 -0.04 0.02 0.05 0.05 0.06 -0.02 0.08 0.02 0.00 -0.02 -0.07 -0.03 0.02 -0.08 0.03 -0.01 -0.03 0.00 -0.01 -0.01 0.01 0.00 -0.01 0.01 -0.00 -0.01 0.01 0.00 -0.02 -0.01 -0.01 -0.01 0.02 0.00 0.01 0.00 0.00 0.01 -0.03 -0.01 -0.04 -0.01 0.00 -0.03 0.01 -0.02 0.01 0.01 0.01 0.01 -0.00 -0.00 0.01 0.01 -0.00 0.00 -0.00 0.00 0.01 -0.01 -0.00 0.01 -0.00 0.01 -0.01 0.01 0.00 -0.00 0.00 0.00 -0.08 0.01 -0.04 0.21 -0.00 0.07 0.13 -0.05 0.01 0.01 0.05 0.03 -0.02 -0.05 -0.03 -0.05 0.03 0.00 -0.05 0.02 -0.00 -0.03 0.00 -0.01 0.03 0.01 -0.00 0.08 -0.05 -0.03 -0.09 0.07 0.03 -0.01 -0.03 0.00 0.02 0.03 0.01 0.04 -0.00 0.02 -0.01 0.01 -0.01 0.02 0.01 0.01 0.01 -0.04 0.04 0.00 -0.02 -0.00 -0.01 -0.01 0.02 -0.01 -0.03 -0.01 0.02 0.02 0.01 0.00 -0.02 -0.02 0.01 -0.01 -0.01 0.00 -0.01 -0.00 -0.01 0.01 -0.02 0.08 -0.02 -0.20 -0.52 -0.20 0.15 -0.49 0.18 -0.06 -0.35 0.02 -0.10 -0.05 0.08 0.04 -0.05 0.04 -0.00 -0.04 0.09 0.02 -0.16 -0.09 -0.10 -0.07 0.08 0.02 0.01 0.00 0.01 -0.01 -0.03 -0.02 -0.09 -0.04 -0.02 -0.05 -0.00 -0.04 0.03 0.00 0.06 -0.02 0.03 -0.00 0.02 -0.04 0.02 -0.03 0.03 -0.02 0.04 -0.02 -0.01 0.02 0.01 0.01 -0.02 0.02 0.02 -0.01 0.01 0.00 0.00 0.02 0.02 -0.03 -0.02 -0.04 -0.05 0.04 0.01 -0.02 -0.01 -0.01 -0.01 0.02 0.01 0.02 -0.01 -0.00 0.02 0.01 0.01 0.02 -0.01 0.00 0.18 0.16 -0.09 0.44 -0.31 -0.16 -0.13 0.10 0.03 0.08 0.15 0.01 0.07 0.34 0.00 0.16 -0.01 0.08 0.24 -0.05 0.09 0.07 0.12 0.06 0.04 -0.09 0.08 -0.01 -0.04 -0.02 -0.04 -0.01 0.01 -0.04 -0.10 -0.04 0.05 0.05 0.03 0.01 -0.05 -0.04 0.01 -0.00 -0.03 0.00 -0.02 0.00 -0.01 0.02 -0.04 0.33 0.08 -0.13 -0.17 -0.08 0.13 0.06 -0.02 -0.00 0.19 -0.02 0.05 0.03 -0.03 -0.01 0.04 -0.02 0.00 0.02 -0.03 -0.01 0.02 0.01 0.01 0.03 -0.02 -0.00 0.01 0.00 0.00 -0.00 0.00 -0.01 0.02 -0.03 -0.08 -0.05 -0.03 0.04 0.01 0.01 0.02 0.04 -0.04 -0.01 -0.00 -0.05 -0.03 0.02 0.02 0.04 -0.01 0.05 0.02 0.02 0.01 -0.01 0.00 -0.02 0.00 0.01 -0.03 -0.01 0.00 -0.01 0.00 -0.00 0.01 0.00 0.01 -0.01 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.02 0.16 -0.12 -0.04 0.02 -0.01 -0.32 0.23 0.11 0.03 0.57 -0.01 0.01 -0.23 0.02 0.29 -0.12 0.13 -0.35 0.20 -0.17 0.01 0.09 0.05 -0.01 -0.01 0.08 -0.06 0.03 -0.07 -0.07 -0.03 0.00 -0.03 0.02 -0.02 -0.04 -0.02 -0.03 -0.00 0.03 0.02 -0.05 0.05 -0.01 -0.01 0.07 -0.00 0.03 -0.03 0.05 -0.06 -0.01 0.03 0.07 0.03 -0.04 0.01 -0.00 0.00 -0.03 0.01 -0.01 -0.00 0.01 -0.00 -0.01 0.01 0.00 -0.01 0.00 0.00 0.01 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.01 0.02 -0.03 0.00 0.05 0.02 0.03 -0.02 0.02 0.05 0.00 -0.02 -0.02 -0.01 -0.00 -0.01 -0.01 0.03 -0.03 0.03 -0.02 0.01 -0.01 0.01 -0.00 0.01 -0.01 -0.02 0.01 -0.01 -0.01 -0.00 0.00 0.00 0.01 0.05 0.01 -0.00 -0.05 -0.04 -0.07 0.06 0.01 -0.03 0.01 -0.01 -0.03 0.02 0.00 0.03 -0.02 -0.00 0.02 0.02 0.02 0.03 -0.02 -0.00 -0.10 -0.00 -0.05 -0.22 0.15 0.10 0.13 -0.07 -0.05 -0.07 -0.08 -0.02 -0.01 -0.20 0.02 0.06 -0.02 0.03 -0.28 0.08 -0.12 -0.05 -0.05 -0.05 -0.05 0.05 0.03 -0.02 0.07 -0.02 -0.00 -0.04 0.04 0.02 0.04 0.02 -0.01 -0.02 -0.01 -0.00 0.02 0.02 0.00 -0.01 0.00 0.01 -0.01 0.01 0.00 0.00 0.00 0.44 0.10 -0.21 -0.43 -0.21 0.27 -0.06 0.02 -0.02 0.30 -0.05 0.07 0.04 -0.05 -0.01 0.06 -0.03 0.00 0.03 -0.04 -0.01 -0.02 -0.02 -0.02 0.03 -0.02 -0.00 0.01 -0.01 -0.02 -0.02 0.01 -0.01 -0.03 0.02 0.10 -0.06 0.06 0.11 0.04 -0.06 0.03 -0.05 0.04 -0.03 0.01 0.02 -0.04 0.04 -0.03 -0.01 0.03 -0.06 -0.03 0.02 -0.03 -0.05 -0.01 0.02 0.00 -0.02 0.03 0.02 0.00 -0.02 -0.01 -0.01 0.02 0.01 0.02 -0.02 -0.00 0.01 -0.00 0.00 0.01 -0.01 -0.00 -0.01 0.00 -0.00 -0.01 -0.01 -0.01 -0.01 0.01 0.00 0.18 0.36 -0.37 0.22 -0.17 -0.04 0.25 -0.10 -0.13 -0.11 -0.17 -0.01 0.07 0.05 0.04 0.16 -0.00 0.10 -0.37 0.07 -0.16 -0.05 -0.01 -0.10 -0.10 0.09 0.09 -0.05 0.17 -0.05 0.00 -0.09 0.09 0.03 -0.06 0.01 0.04 0.03 0.04 0.01 -0.04 -0.04 0.07 -0.06 -0.02 0.03 -0.10 0.03 -0.04 0.05 -0.09 -0.14 -0.03 0.08 0.16 0.08 -0.11 0.05 -0.01 0.01 -0.11 0.02 -0.03 -0.01 0.02 0.01 -0.02 0.01 -0.00 -0.01 0.02 0.00 0.01 0.01 0.01 -0.01 0.01 0.00 0.00 0.00 -0.00 -0.00 -0.01 0.00 0.04 0.01 -0.00 -0.06 -0.05 0.03 0.01 0.07 -0.09 -0.07 0.04 0.05 -0.05 -0.10 -0.00 0.09 0.01 0.02 -0.02 0.02 -0.00 0.02 0.01 -0.01 0.01 -0.01 -0.00 0.01 -0.01 -0.00 -0.01 0.00 -0.00 0.00 0.00 0.00 0.01 0.00 0.01 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.23 -0.37 0.34 0.18 -0.14 -0.05 0.32 -0.24 -0.08 0.06 0.31 -0.01 0.02 0.38 -0.01 -0.20 0.14 -0.09 -0.27 0.06 -0.09 0.02 -0.07 0.02 -0.01 0.01 0.04 -0.05 0.00 -0.06 -0.08 -0.03 0.00 -0.01 0.02 -0.01 -0.03 -0.02 -0.01 -0.02 0.02 0.02 -0.01 0.01 0.02 -0.00 0.02 -0.01 -0.00 -0.02 0.02 0.01 -0.00 -0.02 -0.01 -0.00 -0.01 0.02 -0.01 0.00 -0.04 0.01 -0.01 -0.00 0.01 0.01 0.01 -0.00 -0.00 0.00 0.01 0.00 -0.00 -0.00 -0.00 -0.01 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 0.00 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 -0.01 -0.00 -0.05 0.01 -0.02 0.14 0.09 0.09 -0.09 0.00 -0.03 -0.04 -0.02 -0.02 -0.04 -0.03 -0.03 0.04 0.01 0.02 0.01 -0.08 -0.04 -0.01 0.00 -0.01 -0.03 0.02 0.01 -0.01 0.00 0.00 -0.00 -0.03 -0.00 -0.01 -0.06 0.00 0.01 -0.01 0.01 0.01 -0.00 0.00 -0.01 0.02 -0.01 0.00 -0.00 -0.00 0.01 -0.00 0.01 0.01 0.00 0.00 -0.00 0.01 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.26 0.09 -0.03 -0.07 -0.04 0.03 0.57 -0.15 0.10 -0.52 0.09 -0.12 -0.00 0.12 0.15 0.08 -0.07 -0.01 0.02 0.19 0.02 0.10 0.07 0.07 -0.15 0.24 0.09 0.00 -0.01 -0.01 -0.01 0.01 -0.00 -0.05 0.04 0.06 0.02 -0.03 0.05 -0.00 0.00 0.00 0.03 -0.02 -0.02 0.01 -0.02 -0.01 -0.01 0.01 -0.02 -0.07 0.02 -0.08 0.00 -0.00 -0.01 0.00 -0.01 0.03 0.04 0.01 -0.02 0.01 0.02 0.00 0.06 -0.12 -0.04 0.04 0.05 0.04 -0.07 0.02 -0.01 -0.10 0.03 -0.02 -0.01 -0.00 -0.00 0.05 0.07 0.05 0.03 -0.06 -0.03 -0.00 0.03 -0.03 -0.06 0.06 -0.00 -0.03 0.06 -0.00 -0.04 -0.00 0.01 0.04 0.20 -0.00 0.12 -0.03 0.04 0.03 -0.04 0.03 0.46 -0.30 0.39 -0.03 0.07 -0.03 -0.06 0.06 -0.04 -0.04 0.01 -0.05 -0.06 0.02 -0.03 0.04 0.05 -0.06 0.07 0.05 0.02 -0.00 -0.04 0.15 -0.02 0.01 -0.07 -0.03 -0.07 0.12 -0.32 -0.12 0.05 0.23 0.06 -0.02 -0.12 0.03 -0.02 0.23 -0.05 0.05 0.01 0.01 0.04 0.05 -0.02 0.00 0.03 0.03 -0.01 -0.12 -0.12 -0.10 -0.00 0.01 0.00 0.00 -0.00 -0.01 0.00 -0.01 0.01 -0.02 0.00 0.04 0.02 -0.02 0.05 -0.01 0.00 -0.01 0.01 -0.00 -0.01 0.01 0.01 -0.01 -0.02 0.01 -0.02 -0.09 0.04 -0.08 0.00 -0.00 -0.01 -0.00 -0.02 0.03 0.05 -0.00 -0.02 -0.00 -0.01 -0.01 -0.06 0.11 0.03 -0.03 -0.04 -0.03 0.06 -0.02 0.01 0.09 -0.03 0.01 0.01 0.00 0.00 -0.05 -0.07 -0.05 -0.03 0.06 0.02 0.02 -0.01 0.00 -0.05 0.04 0.00 0.00 0.01 -0.01 -0.04 -0.07 0.00 0.02 0.03 0.00 0.14 -0.04 0.06 0.03 -0.03 0.02 0.49 -0.25 0.44 -0.03 0.06 -0.01 -0.04 0.06 -0.03 -0.02 0.01 -0.04 -0.08 0.04 -0.04 0.05 0.05 -0.07 0.07 0.07 0.03 -0.01 -0.03 0.16 -0.02 0.03 -0.07 -0.03 -0.08 0.13 0.30 0.11 -0.05 -0.24 -0.07 0.03 0.13 -0.04 0.02 -0.23 0.05 -0.05 -0.02 -0.00 -0.04 -0.04 0.02 -0.00 -0.03 -0.02 0.01 0.12 0.11 0.10 -0.00 -0.00 -0.00 -0.00 0.01 -0.01 -0.01 -0.01 0.01 0.01 -0.05 -0.04 0.04 -0.08 0.12 -0.01 0.06 -0.08 -0.03 0.04 0.04 0.03 0.08 0.00 -0.10 0.03 -0.05 0.01 0.01 0.02 0.00 0.01 -0.02 0.00 0.00 -0.00 -0.01 -0.01 0.00 -0.01 0.00 -0.01 0.01 -0.01 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.01 0.00 -0.00 -0.00 0.00 0.00 0.00 0.01 0.01 0.00 -0.00 -0.00 0.29 -0.23 0.22 0.20 -0.13 -0.09 0.11 -0.14 -0.00 -0.00 -0.14 0.01 -0.03 -0.40 0.01 0.51 -0.19 0.22 0.16 -0.10 0.09 -0.09 0.06 -0.08 -0.06 0.12 -0.03 -0.09 0.10 -0.07 -0.08 0.02 -0.09 -0.00 -0.01 -0.01 -0.02 -0.02 0.01 -0.03 -0.02 0.00 -0.01 0.02 -0.03 0.00 0.02 0.01 0.02 0.01 -0.02 -0.04 -0.03 -0.02 0.04 0.02 -0.03 -0.04 0.01 -0.01 0.03 -0.01 0.01 0.00 -0.00 0.00 0.01 -0.00 -0.00 0.01 0.00 -0.00 -0.02 -0.02 -0.02 0.00 -0.01 -0.00 0.00 -0.00 -0.02 0.00 -0.00 0.00 -0.10 0.12 0.05 0.04 -0.08 0.07 -0.01 0.01 -0.02 0.06 -0.05 -0.02 0.02 -0.08 -0.01 -0.03 0.03 -0.03 0.07 -0.02 0.05 0.01 0.00 -0.00 0.02 0.02 -0.03 -0.03 0.01 0.00 0.01 0.00 -0.00 -0.01 0.02 0.01 -0.00 -0.00 -0.00 0.01 -0.00 0.00 0.02 -0.00 0.00 0.00 -0.00 0.00 -0.01 -0.01 -0.01 -0.00 0.01 0.00 -0.07 -0.05 0.03 -0.28 0.21 0.02 -0.08 0.17 0.02 -0.04 0.14 0.02 0.08 0.42 -0.02 0.18 -0.06 0.05 0.07 -0.07 0.06 -0.27 -0.37 -0.38 -0.03 0.13 -0.07 -0.12 0.09 -0.09 -0.08 0.04 -0.13 0.08 -0.03 0.02 -0.09 -0.06 0.03 -0.09 -0.10 -0.04 0.02 -0.01 -0.07 0.02 -0.03 0.04 0.03 0.05 -0.06 0.04 0.02 0.00 -0.11 -0.05 0.04 0.05 -0.01 0.01 -0.06 0.01 -0.01 -0.00 -0.00 -0.01 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.03 0.03 0.03 -0.01 0.01 0.01 -0.00 -0.00 -0.00 0.01 0.01 0.00 0.02 0.08 -0.02 -0.01 -0.04 0.03 0.06 0.02 -0.03 -0.02 -0.02 0.01 -0.00 -0.02 0.00 -0.01 0.01 -0.01 0.00 -0.12 -0.04 0.01 0.00 -0.00 -0.03 0.02 0.02 -0.01 0.03 0.01 0.05 0.01 -0.00 -0.02 -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 -0.00 -0.00 -0.00 -0.52 -0.10 0.04 -0.00 -0.03 -0.01 0.05 0.03 -0.02 0.01 0.07 -0.00 -0.01 -0.01 -0.01 0.08 -0.06 0.00 0.00 -0.04 0.04 0.07 0.60 0.18 -0.02 0.05 -0.01 -0.05 0.01 -0.05 -0.07 -0.00 -0.04 0.03 -0.10 0.04 0.08 0.07 0.03 0.13 0.01 -0.07 0.08 -0.06 -0.03 -0.01 -0.14 -0.03 -0.06 0.00 -0.00 -0.25 -0.06 0.10 -0.24 -0.09 0.09 0.05 -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 0.03 0.03 0.03 -0.01 0.02 0.01 -0.01 -0.00 0.00 -0.01 -0.02 -0.00 0.02 0.07 -0.01 0.03 0.01 -0.00 -0.07 0.00 0.01 0.03 -0.02 -0.00 -0.01 -0.02 0.00 -0.00 -0.00 0.00 0.00 -0.09 -0.02 -0.00 -0.02 0.02 -0.04 -0.00 0.01 -0.01 0.03 0.00 -0.05 -0.01 -0.00 0.02 0.01 -0.01 0.00 0.00 0.00 0.01 -0.00 0.00 -0.01 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.01 0.00 -0.00 0.00 0.00 0.62 0.01 0.06 -0.24 0.17 0.10 -0.05 0.02 0.03 -0.01 0.06 0.00 -0.01 0.02 -0.02 -0.04 0.02 -0.01 -0.01 0.02 -0.01 0.03 0.42 0.11 -0.01 0.07 -0.08 -0.05 0.07 -0.01 0.02 0.05 -0.10 0.06 -0.02 0.09 0.13 0.08 0.03 0.14 0.07 -0.05 0.07 -0.07 -0.00 0.02 -0.11 -0.00 -0.02 0.00 0.03 0.29 0.08 -0.11 0.23 0.07 -0.07 -0.04 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 -0.03 -0.02 -0.02 0.01 -0.02 -0.01 0.00 0.00 0.00 0.00 0.00 -0.00 -0.01 -0.02 -0.00 -0.00 -0.01 0.00 0.01 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 0.02 -0.00 0.01 -0.01 -0.07 -0.07 -0.05 -0.04 0.02 -0.07 0.01 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.01 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.07 -0.00 -0.00 0.07 -0.04 -0.01 -0.02 -0.01 0.00 0.01 0.01 -0.00 0.01 0.01 0.01 0.02 -0.00 0.01 0.01 -0.00 0.00 -0.06 -0.11 -0.08 0.00 -0.02 0.02 0.02 -0.02 0.00 -0.00 -0.01 0.03 0.20 0.25 0.32 0.39 0.10 0.18 0.20 0.40 0.04 0.03 -0.22 0.23 0.27 -0.09 0.20 0.12 -0.01 0.30 -0.05 -0.02 0.02 -0.04 -0.01 0.01 0.01 -0.00 0.00 -0.00 0.00 -0.00 0.01 -0.02 0.00 0.02 -0.01 -0.00 0.02 -0.01 -0.01 0.01 0.00 0.00 -0.00 0.01 0.00 -0.00 -0.00 -0.01 0.00 -0.00 0.01 -0.01 0.03 0.00 0.04 -0.05 0.06 -0.01 0.01 -0.01 0.01 -0.01 -0.00 -0.00 -0.01 -0.00 -0.01 0.01 -0.01 0.00 -0.02 -0.00 -0.07 0.10 -0.11 0.01 0.02 0.01 -0.01 0.02 -0.02 -0.01 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.05 -0.02 0.02 -0.06 0.05 -0.00 0.00 0.03 -0.00 -0.01 0.02 0.00 -0.00 0.03 -0.01 0.06 -0.01 0.02 -0.00 -0.01 0.01 0.00 0.05 0.01 0.06 -0.43 0.25 0.38 -0.34 0.16 0.16 -0.16 0.54 -0.02 -0.07 -0.05 -0.08 -0.02 -0.03 -0.02 -0.08 -0.03 0.03 -0.08 0.05 0.07 -0.07 0.04 0.01 -0.01 0.09 0.07 0.02 -0.02 0.06 0.02 -0.02 -0.01 0.00 -0.00 0.00 -0.00 -0.00 0.02 -0.02 0.01 0.02 -0.00 0.00 0.02 -0.00 -0.01 -0.01 -0.01 -0.01 0.00 -0.01 -0.00 -0.00 0.00 0.00 0.00 0.00 0.01 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.01 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.01 0.00 0.00 -0.01 0.01 -0.02 -0.02 -0.01 -0.01 0.01 0.00 0.00 -0.01 0.02 0.00 -0.00 -0.01 -0.00 -0.01 0.00 -0.00 0.11 -0.08 -0.01 0.00 0.01 0.01 0.01 -0.01 -0.00 -0.05 -0.01 0.00 0.00 -0.00 -0.02 0.01 0.02 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.01 -0.00 -0.00 -0.00 0.00 -0.01 0.00 -0.01 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.01 -0.00 0.00 -0.02 -0.01 -0.02 -0.02 -0.01 -0.00 -0.03 -0.02 0.01 0.01 -0.06 0.05 0.06 -0.04 0.04 0.02 -0.01 0.08 0.04 0.03 -0.00 0.06 0.00 -0.00 0.01 -0.01 -0.00 0.04 -0.01 0.00 -0.35 0.48 -0.19 -0.44 0.14 -0.05 -0.46 0.20 0.29 -0.02 -0.01 -0.01 0.01 -0.01 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.01 -0.02 -0.01 -0.01 0.01 -0.02 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.01 0.00 0.00 -0.00 0.00 -0.00 -0.01 0.01 0.01 -0.02 0.02 0.05 0.05 0.03 -0.05 0.05 -0.09 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.02 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 0.02 0.00 -0.01 -0.00 -0.03 0.01 -0.02 0.00 -0.01 -0.00 0.01 -0.00 -0.02 0.04 0.00 -0.01 0.08 -0.05 -0.08 0.07 -0.03 -0.03 0.03 -0.11 -0.11 -0.20 -0.22 -0.30 -0.10 -0.08 -0.16 -0.28 -0.02 0.05 -0.31 0.31 0.35 -0.20 0.24 0.10 -0.04 0.43 0.01 0.00 -0.01 0.01 0.01 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.05 -0.06 0.03 0.06 -0.02 0.01 0.07 -0.03 -0.04 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.01 -0.05 0.00 -0.00 0.00 0.01 0.02 -0.01 -0.08 -0.01 0.02 0.02 0.01 -0.01 -0.00 -0.00 0.00 0.00 -0.01 0.00 -0.00 0.00 0.00 -0.01 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.12 0.04 0.01 -0.01 -0.02 0.01 -0.02 -0.01 -0.01 -0.02 0.02 0.00 0.01 0.01 0.01 0.02 -0.00 0.01 -0.01 -0.02 -0.01 0.02 -0.02 -0.01 0.51 0.04 0.02 -0.04 0.04 0.08 -0.06 -0.08 0.03 -0.01 0.00 0.00 -0.01 -0.00 -0.01 -0.03 0.06 0.03 0.02 0.05 -0.04 -0.00 -0.00 -0.00 0.04 -0.07 -0.02 0.01 -0.01 0.01 0.07 0.01 0.04 -0.02 0.00 -0.02 -0.01 0.00 -0.02 -0.02 -0.03 -0.00 0.00 -0.01 0.01 0.01 -0.01 0.01 0.00 -0.00 0.01 -0.50 -0.18 0.13 -0.49 -0.15 0.13 0.11 -0.02 0.04 -0.03 0.03 0.01 -0.06 0.03 -0.08 -0.01 0.01 -0.01 -0.09 -0.02 0.04 0.09 0.09 0.08 -0.04 0.10 0.04 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.01 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.02 0.03 -0.04 0.03 -0.01 0.01 -0.00 -0.01 -0.00 0.01 -0.00 0.00 0.01 0.01 -0.00 0.00 -0.00 0.01 -0.00 0.00 0.00 0.03 -0.00 0.00 -0.06 0.02 -0.00 0.03 0.01 0.01 0.02 -0.03 -0.01 -0.01 -0.03 -0.02 -0.01 -0.03 -0.02 0.04 0.02 0.02 -0.04 0.05 0.02 -0.00 -0.01 -0.00 0.08 -0.07 0.43 -0.26 -0.37 0.09 -0.21 0.04 0.07 -0.11 0.03 -0.19 0.00 0.07 0.05 0.05 0.06 -0.04 -0.01 -0.00 -0.01 -0.03 0.09 -0.01 0.01 -0.10 -0.03 -0.12 -0.06 0.04 -0.04 0.08 -0.01 0.04 0.04 -0.08 -0.03 -0.06 -0.01 0.01 0.00 -0.02 -0.00 -0.04 -0.01 -0.02 -0.01 0.02 -0.01 0.01 0.04 -0.08 -0.03 0.03 -0.08 -0.02 -0.03 0.05 -0.05 -0.01 0.11 0.13 0.30 -0.24 0.02 0.04 0.20 0.17 -0.03 -0.11 -0.16 -0.12 0.08 -0.22 -0.10 -0.00 -0.00 -0.00 -0.00 0.00 0.01 -0.00 0.01 -0.00 0.01 0.00 0.00 0.02 0.00 -0.01 0.01 0.02 -0.03 0.03 -0.01 0.01 -0.01 -0.01 -0.00 0.01 -0.01 0.00 0.02 0.01 -0.00 0.00 -0.01 0.01 -0.00 0.01 0.00 -0.04 -0.00 0.00 0.06 -0.03 0.00 -0.04 -0.00 -0.02 -0.02 0.04 0.01 0.01 0.03 0.02 0.01 0.03 0.01 -0.05 -0.02 -0.03 0.05 -0.06 -0.02 -0.09 -0.01 -0.01 0.06 -0.06 0.30 -0.18 -0.26 0.06 -0.22 0.04 0.07 -0.12 0.02 -0.20 -0.00 0.09 0.07 0.07 0.08 -0.06 -0.01 0.01 -0.01 -0.09 0.20 -0.00 0.03 -0.21 -0.04 -0.27 -0.12 0.07 -0.07 0.11 -0.03 0.07 0.05 -0.07 -0.07 -0.06 0.02 0.03 -0.01 -0.04 -0.01 -0.06 -0.02 -0.01 -0.01 0.04 0.06 -0.01 -0.08 0.13 0.07 -0.06 0.07 0.02 0.03 -0.06 0.05 0.01 -0.11 0.00 -0.19 0.16 -0.11 0.14 -0.16 -0.29 -0.02 0.12 0.18 0.13 -0.09 0.24 0.10 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.01 -0.01 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.01 0.00 -0.00 0.01 0.02 0.00 0.00 -0.00 0.00 -0.01 -0.01 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.01 0.00 -0.01 0.00 -0.00 0.01 -0.02 0.00 0.00 0.00 0.00 0.00 0.00 0.01 0.02 -0.04 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.01 -0.01 0.04 -0.02 -0.03 0.01 0.09 -0.01 -0.03 0.05 -0.00 0.08 0.01 -0.10 -0.08 -0.07 -0.09 0.07 -0.00 -0.00 -0.00 0.05 -0.15 0.03 -0.01 0.18 0.05 0.20 0.10 -0.07 -0.01 0.02 -0.00 0.02 0.01 -0.01 -0.01 -0.00 0.01 0.01 -0.00 -0.01 -0.01 -0.01 -0.01 0.00 0.00 0.00 0.00 -0.05 -0.06 -0.03 0.04 -0.06 -0.00 0.01 -0.00 -0.01 0.00 0.00 -0.02 0.38 0.25 -0.17 -0.28 0.55 0.03 -0.41 -0.17 0.01 0.01 0.01 -0.01 0.02 0.01 0.00 0.00 0.00 0.00 0.00 0.00 -0.01 0.01 -0.00 -0.02 -0.02 0.01 0.02 0.01 -0.01 0.01 0.02 -0.03 0.00 -0.00 -0.00 0.01 0.03 -0.00 0.01 -0.00 0.00 -0.03 -0.01 -0.01 0.00 -0.01 0.01 -0.00 0.01 0.00 -0.01 -0.00 -0.00 0.02 -0.00 0.00 -0.01 -0.00 0.00 -0.00 0.01 0.00 0.00 0.01 0.00 -0.00 -0.00 0.02 -0.01 -0.00 -0.01 0.01 -0.01 -0.00 -0.07 -0.02 0.01 0.07 -0.07 0.30 -0.18 -0.26 0.06 0.00 0.02 -0.00 0.00 0.02 -0.00 0.03 -0.15 -0.11 -0.10 -0.14 0.10 -0.01 -0.00 -0.01 0.08 -0.30 0.11 -0.00 0.39 0.12 0.38 0.20 -0.17 -0.08 0.13 -0.03 0.08 0.06 -0.08 -0.08 -0.06 0.02 0.04 -0.01 -0.06 -0.02 -0.08 -0.03 -0.01 -0.01 0.05 0.02 0.02 0.01 0.05 0.00 0.01 0.01 0.00 0.01 -0.01 0.01 0.00 -0.01 -0.17 -0.15 0.10 0.11 -0.22 -0.04 0.13 0.07 0.02 0.04 0.03 -0.02 0.05 0.02 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.01 0.00 0.00 0.01 0.02 -0.00 -0.01 -0.00 0.01 0.01 0.01 -0.01 -0.04 0.01 -0.01 0.01 0.04 0.00 0.00 -0.00 0.00 0.02 0.01 0.01 0.01 -0.01 -0.00 -0.00 0.01 0.01 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.06 0.03 -0.02 0.01 -0.01 0.11 -0.08 -0.08 0.03 0.34 -0.05 -0.11 0.19 -0.03 0.30 -0.01 -0.34 -0.27 -0.21 -0.31 0.22 -0.00 -0.01 -0.00 -0.03 0.18 -0.11 -0.02 -0.27 -0.10 -0.23 -0.14 0.14 -0.11 0.12 -0.08 0.10 0.04 -0.00 -0.14 -0.00 0.08 0.09 -0.04 -0.10 -0.06 -0.09 -0.07 0.04 0.01 0.07 -0.01 -0.00 0.00 -0.01 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.01 -0.02 -0.01 0.00 0.02 -0.04 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 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.01 -0.01 -0.01 0.00 -0.00 0.01 0.02 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.03 0.02 0.02 0.02 -0.02 -0.02 -0.00 0.00 0.00 0.01 -0.00 0.00 -0.01 -0.00 -0.00 -0.00 0.01 0.00 0.00 0.01 0.00 0.00 -0.00 0.00 -0.01 -0.00 -0.00 0.01 -0.01 -0.00 0.00 0.01 -0.00 0.03 -0.03 0.14 -0.08 -0.12 0.03 0.07 -0.02 -0.02 0.04 -0.00 0.06 -0.00 -0.14 -0.11 -0.09 -0.13 0.09 -0.02 -0.02 -0.02 -0.02 0.04 0.00 0.01 -0.04 -0.01 -0.05 -0.03 0.02 0.26 -0.14 0.25 -0.21 -0.01 -0.22 0.37 -0.14 -0.29 -0.28 0.15 0.29 0.19 0.23 0.20 -0.16 -0.04 -0.20 0.00 -0.00 -0.01 0.02 0.01 -0.00 0.01 0.00 0.00 -0.00 0.01 0.00 -0.00 -0.01 -0.01 -0.01 0.02 -0.02 -0.00 0.02 0.01 0.02 0.03 0.02 -0.01 0.04 0.02 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.02 -0.01 -0.03 -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 0.01 -0.02 -0.04 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 0.02 -0.02 0.02 -0.00 -0.01 0.01 0.00 0.09 -0.01 -0.03 0.05 0.00 0.08 -0.03 0.00 -0.02 0.03 -0.00 0.01 0.00 0.00 0.00 -0.36 0.18 0.55 0.41 0.19 0.37 -0.31 0.00 -0.26 -0.00 -0.02 -0.01 -0.00 -0.01 0.03 -0.01 0.02 0.01 0.02 -0.02 -0.01 -0.01 0.01 -0.01 0.03 0.01 0.00 -0.02 -0.01 0.00 -0.03 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.01 0.01 0.02 -0.02 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 0.01 0.01 -0.02 0.01 -0.00 0.00 0.00 0.01 0.00 -0.02 0.00 -0.02 -0.00 0.00 0.00 0.00 0.03 -0.03 -0.02 -0.02 0.01 -0.01 0.00 0.00 0.01 -0.01 -0.00 -0.01 -0.00 -0.00 0.00 0.01 0.00 0.00 0.01 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 0.01 -0.02 0.17 -0.09 -0.14 0.03 -0.06 0.02 0.02 -0.03 0.01 -0.06 0.00 -0.08 -0.06 -0.05 -0.07 0.05 0.06 0.01 0.06 0.02 -0.01 -0.02 -0.01 -0.00 -0.01 0.02 0.00 0.01 0.11 -0.46 -0.07 -0.17 -0.24 0.48 0.03 0.31 0.11 0.11 -0.18 0.04 -0.08 0.25 -0.00 0.29 0.15 -0.10 0.00 0.00 -0.01 0.02 0.00 -0.00 0.00 0.01 0.01 -0.01 0.01 0.00 0.02 0.00 0.03 -0.04 0.02 -0.02 0.03 0.04 0.00 0.02 0.04 0.03 -0.02 0.05 0.02 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.01 0.00 -0.00 -0.00 -0.01 -0.00 0.01 0.02 -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 0.03 -0.05 -0.01 -0.07 0.01 -0.01 0.03 0.03 0.03 0.01 0.03 0.02 0.01 -0.04 -0.02 -0.07 -0.03 -0.04 0.05 -0.04 -0.01 -0.00 0.00 -0.00 -0.01 0.01 -0.03 0.01 0.03 -0.01 0.05 -0.01 -0.02 0.03 -0.01 0.05 -0.00 0.04 0.03 0.02 0.03 -0.03 -0.00 -0.02 -0.02 0.00 0.00 -0.01 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.02 -0.07 -0.00 -0.02 -0.04 0.08 0.01 0.07 0.02 -0.06 0.17 -0.11 0.04 -0.29 -0.04 -0.25 -0.15 0.13 -0.02 0.01 0.02 0.10 -0.01 0.04 -0.04 0.05 0.02 -0.03 0.05 0.01 0.23 0.05 0.38 -0.37 0.13 -0.07 0.34 0.31 -0.03 0.10 0.17 0.13 -0.07 0.22 0.10 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.01 0.00 0.00 -0.01 0.01 0.01 0.00 -0.00 0.00 -0.00 -0.00 -0.02 0.00 -0.01 -0.01 -0.02 -0.00 -0.01 -0.02 0.01 -0.00 0.00 0.00 0.00 -0.00 0.02 -0.03 -0.02 0.00 -0.01 0.00 -0.00 0.01 -0.02 -0.01 -0.03 0.00 -0.00 0.01 0.01 0.01 0.01 0.01 0.01 0.00 -0.02 -0.01 -0.03 -0.01 -0.01 0.02 -0.02 -0.00 -0.03 -0.01 0.00 0.01 -0.01 0.01 -0.01 -0.01 0.00 0.18 -0.01 -0.06 0.10 -0.01 0.16 0.01 0.15 0.12 0.09 0.13 -0.10 -0.00 0.01 0.03 0.02 -0.01 -0.03 -0.03 0.00 -0.02 0.03 0.01 0.01 -0.03 0.22 0.05 0.06 0.13 -0.27 0.01 -0.19 -0.09 0.17 -0.30 0.08 -0.11 0.38 -0.00 0.43 0.24 -0.14 -0.00 0.01 0.01 0.05 -0.00 0.02 -0.02 0.02 0.01 -0.02 0.02 0.00 0.09 0.01 0.14 -0.13 0.05 -0.03 0.13 0.12 -0.01 0.04 0.06 0.05 -0.03 0.08 0.04 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.01 0.01 0.00 0.00 -0.01 0.01 0.01 0.00 -0.01 0.01 0.02 -0.02 -0.05 0.00 -0.02 -0.02 -0.04 -0.01 -0.00 0.01 -0.00 -0.00 0.00 0.00 -0.01 0.01 -0.01 0.01 0.01 0.01 -0.00 -0.00 -0.00 -0.00 0.01 0.00 0.01 -0.00 0.00 -0.01 -0.01 -0.01 -0.00 -0.01 -0.00 -0.00 0.01 0.01 0.01 0.01 0.01 -0.01 0.01 0.00 -0.06 -0.02 0.00 0.03 -0.03 0.22 -0.14 -0.18 0.05 0.42 -0.05 -0.15 0.23 -0.02 0.38 0.01 0.29 0.24 0.18 0.26 -0.19 0.01 -0.04 -0.01 0.03 -0.02 -0.04 -0.04 0.01 -0.03 0.04 0.01 0.00 0.09 -0.17 0.03 -0.10 -0.08 0.10 0.09 0.08 -0.02 0.00 0.07 -0.10 -0.01 -0.16 -0.05 -0.10 -0.07 0.09 0.03 0.01 -0.01 0.00 0.01 -0.01 0.01 -0.01 -0.00 0.01 -0.01 -0.00 -0.06 -0.01 -0.11 0.10 -0.03 0.01 -0.09 -0.08 0.01 -0.02 -0.03 -0.02 0.01 -0.04 -0.02 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.01 0.03 0.00 0.00 -0.01 0.01 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.01 -0.00 -0.00 -0.01 -0.01 -0.00 0.02 -0.05 -0.02 -0.00 0.00 -0.00 0.02 -0.01 -0.01 0.01 -0.02 -0.02 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.01 -0.01 0.00 -0.02 0.01 0.04 -0.02 -0.03 0.01 0.09 -0.01 -0.03 0.05 0.00 0.08 0.01 0.06 0.05 0.04 0.06 -0.04 0.00 0.12 -0.01 0.01 -0.01 -0.01 -0.01 0.00 -0.01 0.01 0.00 0.01 -0.24 0.10 -0.24 0.22 0.03 0.20 -0.34 0.11 0.25 -0.31 0.15 0.35 0.23 0.26 0.25 -0.18 -0.03 -0.28 0.00 0.01 0.01 0.01 -0.00 0.01 -0.01 0.00 -0.00 -0.01 0.00 -0.00 0.01 -0.01 0.02 -0.01 0.00 -0.00 0.02 0.01 -0.00 0.00 0.01 0.00 -0.00 0.01 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 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 0.04 -0.10 -0.10 -0.09 -0.06 0.14 0.06 0.15 -0.04 0.03 0.16 -0.04 0.03 0.02 -0.03 -0.01 -0.02 0.08 0.04 -0.05 -0.05 -0.05 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.01 -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 0.00 -0.00 0.00 -0.04 -0.14 -0.14 0.03 0.12 -0.09 -0.51 0.11 -0.10 -0.54 0.12 -0.10 -0.06 -0.02 -0.11 0.18 -0.07 -0.03 -0.10 -0.02 0.04 -0.22 -0.11 -0.13 -0.17 0.15 0.03 0.00 0.00 -0.00 0.01 0.00 -0.01 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 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 -0.07 -0.00 -0.01 -0.01 -0.00 0.02 0.01 0.02 -0.01 0.00 0.02 -0.01 0.00 0.00 0.01 -0.00 -0.01 0.01 0.00 -0.01 -0.01 -0.00 0.05 0.00 0.00 0.02 -0.01 -0.00 -0.01 -0.01 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.01 -0.01 -0.01 -0.01 0.01 0.00 -0.00 -0.00 -0.00 0.00 0.01 0.01 0.00 0.01 -0.00 -0.00 -0.00 0.01 -0.01 0.00 -0.01 -0.00 0.00 0.01 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.04 0.42 0.55 0.25 -0.37 0.51 -0.08 0.01 -0.01 -0.06 0.01 -0.01 -0.03 0.03 -0.02 0.05 -0.06 0.08 -0.03 -0.11 -0.03 -0.03 -0.01 -0.02 -0.02 0.02 0.01 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.03 0.02 0.03 -0.25 -0.12 0.10 0.22 0.15 0.01 0.13 0.07 -0.03 -0.12 -0.08 -0.01 -0.02 -0.01 -0.11 -0.26 -0.18 -0.04 0.30 0.15 -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 -0.09 -0.06 -0.05 0.16 0.04 0.02 0.09 0.12 0.10 0.07 -0.16 -0.07 -0.09 0.05 -0.08 0.19 -0.09 -0.00 -0.13 0.00 0.04 0.32 0.20 0.21 0.27 -0.33 -0.09 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.04 -0.01 0.01 -0.24 0.10 -0.02 0.23 -0.01 0.07 0.33 -0.07 0.06 -0.32 0.08 -0.06 -0.03 0.01 -0.00 -0.19 -0.02 -0.07 0.17 -0.12 -0.01 0.01 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.05 0.01 0.02 -0.13 -0.01 -0.01 -0.43 0.10 -0.08 0.40 -0.08 0.08 -0.08 0.03 -0.08 0.13 -0.05 0.02 -0.12 -0.02 0.02 -0.01 0.20 0.11 0.03 0.21 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 -0.02 -0.01 -0.06 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.01 -0.05 -0.05 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 0.26 -0.54 0.37 -0.09 0.57 0.40 -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 -0.06 -0.01 0.06 -0.00 0.00 -0.00 0.01 -0.00 -0.01 0.01 0.00 -0.01 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.01 0.01 0.00 -0.01 -0.00 -0.01 -0.00 -0.00 -0.01 -0.03 0.01 0.02 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.69 0.14 -0.68 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.06 -0.02 0.06 -0.04 0.07 0.02 0.02 -0.02 0.03 -0.02 -0.03 -0.01 -0.08 -0.02 0.09 -0.01 0.04 0.01 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.01 -0.05 -0.06 0.00 0.00 0.01 -0.00 -0.00 -0.00 0.00 0.01 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.01 -0.03 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.04 0.64 0.67 0.00 0.01 0.00 -0.03 -0.01 -0.08 0.00 -0.00 0.01 0.00 0.00 -0.00 -0.01 -0.01 0.02 0.01 -0.05 -0.07 0.00 -0.00 -0.00 0.02 0.01 0.01 -0.02 -0.01 0.03 0.01 -0.03 -0.02 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.01 -0.00 0.01 0.00 -0.00 -0.00 -0.07 0.14 -0.11 -0.04 0.22 0.17 -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 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.01 0.02 0.00 0.01 -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 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.01 0.01 0.00 0.00 0.00 0.01 0.00 0.01 0.01 -0.00 0.02 0.01 -0.00 -0.01 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.03 0.01 -0.03 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.16 -0.05 0.16 0.11 -0.20 -0.07 -0.07 0.07 -0.13 -0.35 -0.29 -0.17 0.41 0.09 -0.43 -0.21 0.45 0.14 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.01 -0.01 0.01 0.00 0.01 0.01 -0.01 0.01 -0.02 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.02 0.02 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.03 -0.09 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.02 -0.22 -0.24 -0.01 -0.02 -0.00 0.02 0.00 0.04 -0.00 0.00 -0.01 -0.00 0.00 0.00 0.01 0.01 -0.01 -0.01 0.02 0.03 0.00 0.00 -0.00 -0.01 -0.00 -0.00 0.01 0.00 -0.01 -0.00 0.01 0.01 0.03 0.01 -0.03 -0.02 0.04 0.01 0.01 -0.01 0.03 -0.01 -0.01 -0.00 0.01 0.00 -0.01 -0.00 0.01 0.00 -0.26 0.51 -0.37 -0.07 0.51 0.38 -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 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.03 -0.04 -0.01 0.00 -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 -0.01 0.01 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.01 0.01 -0.02 -0.02 -0.00 0.01 0.00 0.02 0.00 -0.00 0.01 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.38 0.12 -0.37 -0.26 0.48 0.16 0.17 -0.17 0.32 -0.14 -0.11 -0.07 0.17 0.04 -0.18 -0.08 0.17 0.05 0.02 -0.03 0.03 0.00 -0.03 -0.02 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.09 0.06 -0.06 -0.04 -0.10 -0.07 0.07 -0.06 0.19 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.01 0.01 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.04 0.03 -0.02 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.01 -0.01 0.02 0.02 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 -0.11 -0.03 0.11 0.08 -0.15 -0.05 -0.05 0.05 -0.10 0.03 0.02 0.01 -0.04 -0.01 0.04 0.02 -0.04 -0.01 -0.00 0.01 -0.01 -0.00 0.01 0.01 -0.00 -0.00 -0.00 0.00 0.01 0.00 0.31 0.19 -0.21 -0.13 -0.36 -0.23 0.25 -0.20 0.67 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.01 0.00 -0.00 -0.00 0.00 0.01 -0.04 0.03 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 0.03 0.03 0.00 0.00 0.00 -0.00 -0.00 -0.01 0.00 -0.00 0.01 0.01 -0.00 -0.01 -0.03 -0.04 0.05 0.01 -0.04 -0.06 0.00 0.00 -0.00 -0.36 -0.20 -0.16 0.40 0.13 -0.47 -0.17 0.53 0.28 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.05 0.01 -0.00 0.01 0.04 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.04 -0.05 0.01 0.01 0.00 -0.01 -0.00 -0.03 0.10 -0.01 0.41 0.53 -0.07 -0.38 -0.22 -0.23 0.33 0.06 -0.23 -0.32 0.01 0.00 -0.01 0.03 0.02 0.01 -0.03 -0.01 0.03 0.01 -0.04 -0.02 -0.01 -0.00 0.01 -0.00 0.01 0.00 0.00 -0.00 0.00 -0.02 -0.01 -0.01 -0.02 -0.00 0.02 0.01 -0.01 -0.00 -0.00 0.01 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.01 -0.04 0.01 0.00 -0.01 -0.05 -0.01 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -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 0.03 0.05 0.01 -0.03 -0.01 -0.09 0.07 -0.01 0.30 0.42 -0.06 -0.30 0.25 0.25 -0.37 -0.09 0.34 0.46 0.01 0.00 -0.01 -0.02 -0.01 -0.01 0.02 0.01 -0.03 -0.01 0.04 0.02 -0.01 -0.00 0.01 -0.01 0.01 0.00 -0.00 0.00 -0.00 -0.02 -0.01 -0.01 -0.02 -0.01 0.03 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.01 -0.00 0.01 0.03 -0.06 -0.01 0.00 0.01 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.01 0.00 0.01 -0.02 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 0.06 0.06 -0.35 -0.44 -0.06 0.27 0.05 0.70 -0.02 0.00 -0.05 0.12 -0.02 -0.08 0.00 0.00 -0.01 -0.01 0.05 0.06 0.05 0.01 -0.05 -0.00 -0.00 -0.00 0.01 0.00 -0.01 -0.00 0.00 0.00 0.04 0.02 -0.04 0.04 -0.07 -0.02 -0.01 0.01 -0.02 0.07 0.06 0.04 0.10 0.03 -0.11 0.06 -0.13 -0.03 0.01 -0.02 0.01 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.01 0.01 -0.01 -0.01 -0.02 -0.01 -0.00 0.00 -0.01 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 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 0.05 -0.03 -0.04 -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 0.00 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 0.05 0.06 0.01 -0.01 -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 -0.01 -0.00 0.01 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.37 -0.13 0.36 -0.24 0.47 0.15 -0.02 0.02 -0.06 0.08 0.08 0.05 0.29 0.07 -0.32 0.16 -0.37 -0.10 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.03 -0.02 0.02 0.00 0.01 0.01 0.02 -0.01 0.04 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.01 -0.02 -0.00 0.00 0.01 0.00 -0.00 -0.00 0.01 0.00 -0.01 -0.00 0.00 0.00 0.04 -0.03 -0.03 0.05 -0.03 -0.04 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -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 -0.08 -0.10 -0.01 0.07 0.01 0.19 -0.02 0.00 -0.06 0.02 -0.00 -0.01 -0.01 -0.01 0.02 -0.00 0.01 0.02 -0.10 -0.02 0.10 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.27 -0.10 0.26 -0.19 0.37 0.12 -0.03 0.03 -0.08 -0.04 -0.05 -0.03 -0.33 -0.09 0.36 -0.21 0.47 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 -0.07 -0.04 0.04 0.01 0.03 0.02 0.03 -0.02 0.08 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.01 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 -0.09 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.02 0.00 -0.02 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.07 0.02 -0.07 0.04 -0.07 -0.02 0.00 -0.00 0.01 0.00 0.00 0.00 0.03 0.01 -0.03 0.02 -0.04 -0.01 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.01 -0.01 -0.46 -0.27 0.28 0.14 0.40 0.23 0.22 -0.17 0.54 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.01 0.01 -0.01 0.00 0.03 0.01 -0.00 -0.03 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.04 -0.06 -0.01 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.01 0.01 0.05 0.07 0.01 -0.03 -0.01 -0.09 -0.08 0.01 -0.29 0.15 -0.02 -0.10 -0.13 -0.14 0.19 -0.03 0.15 0.19 0.03 0.01 -0.03 0.01 0.00 0.00 0.02 0.01 -0.02 0.01 -0.03 -0.01 0.02 0.01 -0.02 0.02 -0.04 -0.01 0.01 -0.01 0.03 0.52 0.41 0.26 0.16 0.03 -0.18 -0.17 0.33 0.10 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.04 -0.03 0.00 0.06 -0.00 -0.00 0.00 0.01 -0.00 -0.01 0.00 0.00 -0.00 -0.02 -0.04 -0.01 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.02 -0.02 -0.03 -0.04 -0.00 0.01 0.00 0.04 0.11 -0.02 0.41 -0.14 0.02 0.09 0.25 0.26 -0.36 0.07 -0.29 -0.38 0.01 0.00 -0.01 -0.01 -0.01 -0.01 -0.07 -0.02 0.07 -0.03 0.08 0.04 -0.01 -0.00 0.01 -0.00 0.00 0.00 0.00 -0.00 0.00 0.31 0.25 0.16 0.08 0.01 -0.09 -0.10 0.20 0.06 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.01 0.00 0.00 -0.01 0.00 0.00 0.00 0.05 -0.04 -0.07 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.01 0.01 0.00 -0.00 -0.00 -0.01 -0.04 0.01 -0.13 0.06 -0.01 -0.04 -0.03 -0.03 0.04 -0.00 0.02 0.03 -0.00 -0.00 0.00 0.03 0.00 -0.00 -0.43 -0.15 0.51 -0.19 0.61 0.30 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.02 -0.02 -0.01 -0.01 -0.00 0.01 0.01 -0.01 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.02 0.05 -0.07 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.01 0.02 0.00 0.02 0.00 0.05 -0.01 0.00 -0.04 0.03 -0.00 -0.02 0.02 0.02 -0.02 0.00 -0.02 -0.02 -0.04 -0.01 0.04 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.27 -0.07 0.25 0.11 -0.20 -0.08 0.40 -0.36 0.70 -0.02 -0.01 -0.01 -0.02 -0.00 0.02 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.01 0.01 0.00 -0.00 0.01 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.01 0.01 0.00 0.01 -0.00 -0.07 0.02 -0.00 -0.05 0.00 0.00 -0.00 0.00 -0.00 -0.01 -0.00 0.00 -0.01 -0.00 -0.01 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.02 0.02 -0.08 -0.10 -0.01 -0.00 0.00 -0.00 0.18 -0.03 0.63 -0.35 0.05 0.24 -0.20 -0.21 0.29 -0.06 0.26 0.33 -0.01 -0.00 0.01 0.02 0.01 0.01 -0.03 -0.01 0.04 -0.02 0.06 0.03 -0.03 -0.01 0.03 0.00 -0.01 -0.00 0.03 -0.03 0.05 0.06 0.05 0.03 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 -0.03 -0.02 0.02 -0.01 -0.04 -0.02 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.01 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.06 -0.07 -0.01 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.02 0.02 0.00 0.02 0.00 0.04 0.01 -0.00 0.04 -0.02 0.00 0.02 -0.01 -0.01 0.02 -0.00 0.02 0.02 -0.00 -0.00 0.00 0.01 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.01 0.00 -0.01 -0.00 0.01 -0.01 0.01 0.00 -0.01 0.01 -0.01 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.01 -0.00 0.00 0.00 0.00 -0.00 -0.03 -0.02 0.49 0.28 -0.33 0.20 0.60 0.38 0.01 -0.03 0.06 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.07 -0.06 -0.02 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.01 -0.01 -0.00 -0.00 -0.00 -0.01 -0.00 0.00 -0.01 0.01 -0.00 -0.00 0.01 0.01 -0.02 0.00 -0.02 -0.02 0.00 -0.00 -0.00 0.73 0.40 0.33 0.20 0.06 -0.25 -0.09 0.24 0.12 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.06 -0.05 -0.05 0.00 0.00 -0.01 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.04 0.04 0.48 0.63 0.06 0.20 0.02 0.55 0.02 -0.00 0.08 -0.03 0.00 0.02 -0.01 -0.02 0.02 -0.00 0.02 0.03 0.00 0.00 -0.00 0.02 0.01 0.01 0.00 0.00 -0.01 -0.00 0.01 0.00 0.04 0.01 -0.04 0.01 -0.01 -0.00 -0.01 0.01 -0.02 0.01 0.00 0.00 -0.01 -0.00 0.01 -0.00 0.01 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.03 -0.01 0.02 -0.01 -0.03 -0.02 -0.01 0.01 -0.02 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -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 -0.05 -0.03 -0.00 -0.00 -0.00 -0.02 0.02 0.00 0.04 0.01 0.02 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.04 0.33 0.19 0.07 0.59 0.35 0.00 0.00 -0.00 0.01 0.02 0.01 0.00 -0.00 0.00 0.27 -0.22 -0.03 -0.44 -0.13 -0.21 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.01 -0.06 -0.03 0.01 0.04 0.02 0.00 0.00 0.00 -0.02 0.02 0.00 -0.01 -0.00 -0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.01 0.01 0.08 0.66 0.38 -0.05 -0.44 -0.26 -0.00 -0.00 0.00 -0.00 -0.02 -0.01 0.00 -0.00 -0.00 0.28 -0.23 -0.04 0.11 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 -0.03 -0.02 -0.00 -0.03 -0.02 -0.00 -0.00 -0.00 0.03 -0.02 -0.00 -0.05 -0.01 -0.02 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.04 0.37 0.21 0.04 0.39 0.23 0.00 0.00 -0.00 0.00 0.01 0.01 -0.00 0.00 0.00 -0.37 0.29 0.04 0.54 0.15 0.25 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.01 0.02 0.01 0.00 -0.02 -0.01 -0.00 -0.00 -0.00 -0.05 0.04 0.01 -0.05 -0.01 -0.02 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.03 -0.25 -0.15 0.02 0.19 0.11 -0.00 0.00 0.00 0.00 0.01 0.00 -0.00 0.00 -0.00 0.56 -0.45 -0.07 0.51 0.15 0.24 8 8 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 8 8 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 15.99491 15.99491 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 274.19328 0.99997 -0.0067 0.00494 0.0067 0.99998 0.00124 -0.00495 -0.00121 0.99999 asymmetric 1 0.03103 0.00930 0.00800 0.64648 0.19368 0.16676 1061403.3 46.02 51.42 65.44 92.85 115.23 177.80 221.59 225.54 235.27 281.97 309.04 321.34 324.45 345.49 370.03 387.36 430.45 464.25 483.11 494.66 565.42 606.66 613.25 649.98 663.24 672.33 722.10 760.67 806.83 826.63 886.63 902.15 910.52 952.26 1064.02 1084.13 1110.89 1143.01 1189.20 1222.04 1231.72 1264.44 1278.82 1284.78 1301.66 1325.03 1351.98 1362.70 1376.68 1385.54 1403.67 1408.01 1440.30 1440.73 1457.77 1462.09 1492.17 1503.87 1531.72 1537.51 1544.73 1594.49 1616.92 1628.85 1640.75 1661.68 1701.65 1710.97 1737.31 1748.27 1759.01 1772.14 1781.94 1800.85 1811.63 1817.10 1832.76 1877.70 1893.59 1924.54 1926.48 1932.32 1945.33 1983.95 1991.26 2014.35 2032.98 2035.53 2039.46 2060.56 2110.82 2115.65 2120.15 2122.12 2125.87 2127.94 2136.60 2136.99 2148.06 2149.37 2153.78 2158.19 2183.00 2185.20 2321.25 2363.49 4302.94 4322.81 4340.69 4342.81 4350.10 4350.94 4353.49 4365.77 4384.08 4399.46 4424.88 4427.18 4434.73 4436.91 4440.86 4445.51 4455.65 4462.41 4469.93 4473.72 4489.94 4498.36 4538.24 4545.99 4561.80 4581.71 0.404267 0.423838 0.424782 0.356496 -851.912736 -851.893166 -851.892221 -851.960508 265.962 78.047 143.721 0.000 0.000 0.000 0.889 2.981 42.725 0.889 2.981 33.998 264.185 72.085 66.998 1 0.594 1.983 5.702 2 0.594 1.982 5.482 3 0.595 1.979 5.005 4 0.597 1.971 4.314 5 0.600 1.963 3.889 6 0.610 1.929 3.044 7 0.620 1.898 2.622 8 0.620 1.895 2.589 9 0.623 1.887 2.509 10 0.636 1.845 2.171 11 0.645 1.818 2.003 12 0.649 1.806 1.932 13 0.650 1.802 1.914 14 0.657 1.779 1.802 15 0.667 1.751 1.681 16 0.674 1.730 1.601 17 0.692 1.675 1.421 18 0.708 1.630 1.297 19 0.717 1.604 1.232 20 0.723 1.588 1.194 21 0.760 1.485 0.989 22 0.784 1.423 0.886 23 0.788 1.413 0.871 24 0.810 1.357 0.790 25 0.819 1.337 0.763 26 0.825 1.323 0.745 27 0.857 1.246 0.653 28 0.884 1.187 0.590 29 0.916 1.116 0.522 30 0.931 1.086 0.496 31 0.976 0.998 0.423 0.940498e+22 21.973358 50.595526 0.877446e+07 6.943220 15.987356 0.100000e+01 0.000000 0.000000 0.178459e+09 8.251539 18.999871 0.600618e+07 6.778599 15.608300 ./ancestor::cml:module[@dictRef='cc:finalization']/cml:molecule[@id='mol9999'] -1.4853 -0.2703 -3.5706 3.8767 -117.2674 -116.0078 -125.1903 0.9316 4.8481 4.4447 2.2211 3.4807 -5.7018 0.9316 4.8481 4.4447 -0.2262 -12.7431 -6.7837 -3.3427 -9.4622 10.6900 -7.3884 -5.7557 2.1804 13.9575 -6517.4272 -1886.1856 -696.3917 -58.9481 105.5957 8.3453 23.5334 4.7643 4.4636 -1405.8083 -1303.4025 -422.2906 76.2631 -11.8263 12.3537 (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A) (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(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 -852.3170034 3.076E-9 4.128E-6 0.4042672 0.4238378 -851.8931655 -851.8922213 -851.9605077 1.936884,0.1834063,-2.1202902,0.7004826,4.5366334,-3.5884096 C01 [X(C18H26O2)] 0.5629854 0.5174856 1.3196503 -0.784832 -0.1189418 -0.0549285 -0.1278591 -1.3228378 0.0025255 -0.0374367 0.0654037 -1.0206168 -1.9658686 -0.1272648 0.1343696 0.0509831 -0.6523189 -0.0382469 0.1728194 -0.0422749 -0.7236068 0.5686449 0.0987715 -0.0186752 0.0173719 0.7680811 0.0546373 -0.0087035 0.1382946 0.5014136 0.4434133 0.0022085 0.0066634 0.0552619 0.7908543 -0.0801456 -0.0434469 -0.2528708 0.5293267 1.1925472 0.1794091 0.0849741 0.3154896 0.4464631 -0.1890331 0.2913668 -0.0332909 0.3655839 -0.1390353 0.0292426 0.1804651 -0.1696871 -0.2170605 0.1084291 0.0978381 0.0484282 0.0084458 -0.0147924 0.0444888 -0.1073094 0.1368706 -0.0482258 0.1209957 -0.0759956 0.0371436 0.1288917 -0.1015277 -0.0372486 -0.1302033 -0.0786258 0.0194443 -0.0412535 -0.0048485 0.0206321 0.1352158 0.1761144 0.0110055 0.0158706 0.0087139 0.1325483 -0.0129482 0.018452 0.0397377 0.1964889 0.0493461 -0.0457199 -0.0185967 -0.0557411 -0.0724924 -0.0342959 -0.0393999 -0.0806562 0.0678121 0.0262376 -0.0085975 -0.0795389 0.0059621 0.0243386 0.0199901 -0.0974103 0.0176796 0.048646 0.1027439 -0.0271116 -0.0640262 -0.034025 0.0169846 -0.0386969 -0.0506508 -0.0012444 0.049586 1.1015085 -0.0492756 -0.1565165 -0.2287727 0.5021983 0.0033401 -0.3708585 -0.0206195 0.7308921 0.0053881 0.0330639 0.0731507 -0.0668519 -0.136654 -0.0150775 0.0843913 0.0470968 -0.1477246 0.1387018 0.263392 -0.1203192 0.2085245 0.2283942 -0.1377775 -0.1423768 -0.1278485 -0.023103 -0.0313889 0.0255785 0.0676742 0.0570253 -0.0361969 -0.0850482 0.0511383 -0.0997304 -0.0322288 -0.1511556 -0.1326657 0.1491992 -0.0230578 -0.140956 -0.0607962 0.0566931 -0.1321202 -0.0337972 -0.0564442 -0.1489565 0.0945146 -0.0683497 0.0240193 0.0325398 0.031795 -0.0103834 0.1118323 -0.105811 0.0845662 -0.0116089 0.0692575 -0.0812505 -0.0666682 -0.0004911 -0.057265 -0.1455394 -0.0014972 0.0614433 0.0666965 0.0392315 -0.0337647 -0.1040782 0.070047 -0.0981247 -0.0436005 -0.0610754 -0.0279787 0.0034506 -0.0248622 -0.0388936 0.1334596 -0.0925909 0.1224711 -0.1686021 -0.0791201 0.0952354 -0.0237446 0.0987568 0.003862 -0.017509 -0.0531239 0.0144265 0.0787389 0.0362355 -0.0445577 -0.0701298 -0.0381804 0.021812 -0.0673556 -0.0495864 -0.1098175 -0.1109795 0.0421994 -0.0366821 -0.0292846 -0.0545212 -0.0046546 -0.092349 -0.0870667 -0.1216214 -0.1094911 -0.123683 -0.0641342 0.1012997 -0.0489787 0.0244558 0.014701 0.1597266 0.0477069 -0.0309937 -0.0555896 0.0971236 0.0692859 0.0952362 -0.0683876 -0.0423926 0.1038455 -0.1015629 0.0044728 0.076771 -0.0054925 0.0159498 0.0056793 0.0019711 0.0795594 -0.0337701 0.1305889 -0.1511452 -0.1377981 0.0264911 0.1248362 0.0411899 -0.0054366 -0.0438086 0.1300412 -0.0075824 -0.0998786 -0.0887205 -0.033681 -0.1124372 0.0033045 0.0503008 0.0122214 -0.1209934 -0.0342384 0.0487562 -0.0495375 0.0563977 0.1399714 0.0236596 0.0339213 -0.0478574 0.1208576 -0.0986953 -0.0385556 0.1047268 -0.0166022 -0.0042296 -0.019273 -0.0628189 0.0823306 -0.0003094 0.1306605 -0.044841 -0.0974356 0.0528305 0.0798566 0.0635309 0.090921 -0.0353458 0.152119 -0.0482377 -0.0521794 0.0446775 -0.0402425 0.0267393 -0.0170257 -0.1294493 0.1703151 0.000749 0.1644739 -0.0219727 0.0210596 -0.0418135 -0.0724947 -0.0701988 -0.0330657 -0.1319367 -0.0871042 -0.1132069 -0.0076442 -0.1309719 0.0267781 -0.1350485 0.0570856 0.0629083 0.0080723 -0.1299785 -0.0126705 -0.0047041 -0.0665488 0.0459927 0.1461366 0.0068218 0.058906 -0.0414394 0.1075599 -0.0709848 -0.0567943 0.0858293 -0.0407964 0.0124486 -0.0556493 -0.1705091 0.0968355 0.0248336 0.13705 -0.0053031 -0.0822901 -0.0595341 -0.0549093 0.0074658 -0.1644494 -0.1015453 0.0520409 -0.0276356 0.0386089 -0.0404325 0.0209074 -0.0354943 0.043895 -0.0316087 0.1766374 0.0392342 0.0921817 -0.1591087 0.0845465 0.0355455 -0.0892856 0.0208669 0.0454002 0.1296628 -0.0793234 0.1322191 0.0036519 0.081216 0.0164767 -0.068842 0.029898 0.0411467 0.1381557 -0.083893 0.137319 0.0010288 -0.0403407 -0.0157512 0.083164 0.0253893 0.0055475 -0.0166766 0.1232942 0.0240174 0.069369 0.0024269 0.0758949 -0.1193593 0.0046348 -0.0029009 0.0968668 -0.0662321 0.1335587 -0.0414829 0.0766457 -0.0815008 -0.0160386 -0.1257017 -0.0675836 -0.0508861 -0.0436382 -0.0930126 -0.0546496 0.0288417 -0.1202087 0.0200927 -0.1303227 0.002169 0.0923498 0.0210443 0.0973457 0.1098142 -0.083925 -0.0580861 -0.1037886 -0.0544226 0.1248674 0.0195427 -0.1106579 0.0172599 0.0999673 319.6204367|25.6355406|288.7898938|15.6058271|-28.2775703|262.4454758 -0.000003961 0.000003719 -0.000001313 -0.000002337 -0.000009110 -0.000015056 -0.000000882 -0.000000129 0.000003935 0.000004607 0.000010682 0.000010940 0.000020546 0.000006772 -0.000000891 -0.000002877 -0.000006728 -0.000006129 -0.000000621 -0.000001878 -0.000003802 -0.000006078 0.000002684 -0.000005782 0.000001953 -0.000009586 0.000002992 0.000002050 0.000001358 -0.000002560 -0.000003452 0.000001727 0.000000955 -0.000001047 0.000001520 0.000002731 -0.000011768 0.000005736 0.000015406 0.000002084 0.000003028 -0.000005377 -0.000007648 -0.000006382 0.000002158 0.000000148 0.000000667 -0.000003127 0.000002672 0.000001137 0.000005858 0.000004754 0.000002056 -0.000000098 -0.000000024 0.000001694 -0.000002057 0.000002811 -0.000000678 0.000003096 -0.000000841 -0.000002162 -0.000000668 0.000000366 0.000000683 0.000001044 0.000001211 -0.000002425 -0.000001218 0.000000575 -0.000002208 -0.000001544 0.000000125 -0.000001500 0.000000847 0.000000927 0.000001417 -0.000000757 0.000001271 -0.000000713 -0.000003139 -0.000001322 0.000003672 0.000000224 0.000001672 0.000000969 -0.000003601 -0.000001592 -0.000000722 0.000000774 -0.000003758 0.000001013 -0.000004474 0.000001096 -0.000000879 0.000001391 -0.000000384 -0.000000511 0.000004359 0.000000511 0.000003430 0.000000907 -0.000001844 0.000000822 0.000000467 0.000001719 0.000000256 -0.000000119 0.000000630 -0.000001744 0.000003541 0.000000700 -0.000005431 -0.000002677 0.000000077 -0.000001544 -0.000003294 -0.000000062 -0.000001096 -0.000001427 -0.000000560 0.000000567 0.000001763 -0.000001528 0.000000810 0.000003028 0.000001837 -0.000001772 0.000002804 -0.000003186 0.000000271 0.000000895 0.000000907 -0.000000273 -0.000001900 0.000000524 0.000000779 0.000000897 248.19139999999987 AuxInfo=1/0/N:3;4;5;6;7;8;9;10;11;12;13;14;15;16;17;18;19;20;1;2;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/rA:46nO0O0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:2.1095,-.127,-1.1145;-.2585,-.8779,.4883;2.5185,.9581,-.2346;2.0647,-1.1881,-.1261;1.0769,-.607,.9134;1.4266,.9052,.8632;3.8269,.3889,.3644;3.4869,-1.1199,.484;2.6617,2.259,-1.0234;1.683,-2.5043,-.7576;1.393,2.6336,-1.8004;3.1017,3.4093,-.1073;-1.2558,-.5061,1.4468;-2.6164,-.7133,.8349;-3.0729,.1221,-.2064;-3.4279,-1.7537,1.2937;-4.3389,-.1204,-.7489;-2.2236,1.2529,-.7314;-4.6903,-1.9815,.7453;-5.1453,-1.1597,-.2824;1.2332,-1.0514,1.9034;.5456,1.4701,.5611;1.7786,1.2969,1.818;4.0792,.8508,1.3199;4.656,.557,-.3268;4.1677,-1.7315,-.1111;3.5101,-1.491,1.5109;3.4606,2.0799,-1.7541;.7016,-2.4436,-1.2296;2.4241,-2.7872,-1.5098;1.6503,-3.2875,.0054;.5664,2.8852,-1.1294;1.5848,3.51,-2.4274;1.0658,1.8186,-2.4496;4.037,3.1847,.4126;2.3383,3.6251,.6476;3.2566,4.3213,-.6913;-1.1246,.5433,1.741;-1.1432,-1.1191,2.3504;-3.0638,-2.3941,2.0911;-4.6996,.5171,-1.5502;-1.285,.879,-1.1459;-2.7491,1.8092,-1.5102;-1.9626,1.9559,.0666;-5.3066,-2.7938,1.1148;-6.1235,-1.3237,-.7222; Gaussian 16 18-Nov-2022 Gaussian 16 3-Jul-2019 EM64L-G16RevC.01 132 C1[X(C18H26O2)] 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 0 248.19139999999987 AuxInfo=1/0/N:3;4;5;6;7;8;9;10;11;12;13;14;15;16;17;18;19;20;1;2;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/rA:46nO0O0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:2.1095,-.127,-1.1145;-.2585,-.8779,.4883;2.5185,.9581,-.2346;2.0647,-1.1881,-.1261;1.0769,-.607,.9134;1.4266,.9052,.8632;3.8269,.3889,.3644;3.4869,-1.1199,.484;2.6617,2.259,-1.0234;1.683,-2.5043,-.7576;1.393,2.6336,-1.8004;3.1017,3.4093,-.1073;-1.2558,-.5061,1.4468;-2.6164,-.7133,.8349;-3.0729,.1221,-.2064;-3.4279,-1.7537,1.2937;-4.3389,-.1204,-.7489;-2.2236,1.2529,-.7314;-4.6903,-1.9815,.7453;-5.1453,-1.1597,-.2824;1.2332,-1.0514,1.9034;.5456,1.4701,.5611;1.7786,1.2969,1.818;4.0792,.8508,1.3199;4.656,.557,-.3268;4.1677,-1.7315,-.1111;3.5101,-1.491,1.5109;3.4606,2.0799,-1.7541;.7016,-2.4436,-1.2296;2.4241,-2.7872,-1.5098;1.6503,-3.2875,.0054;.5664,2.8852,-1.1294;1.5848,3.51,-2.4274;1.0658,1.8186,-2.4496;4.037,3.1847,.4126;2.3383,3.6251,.6476;3.2566,4.3213,-.6913;-1.1246,.5433,1.741;-1.1432,-1.1191,2.3504;-3.0638,-2.3941,2.0911;-4.6996,.5171,-1.5502;-1.285,.879,-1.1459;-2.7491,1.8092,-1.5102;-1.9626,1.9559,.0666;-5.3066,-2.7938,1.1148;-6.1235,-1.3237,-.7222; oldchk=/home/apulgar/almacen/pesticidas/gaussian_results/30_herbicides/cinmethy #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 cinmethylin CONF104 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 16 16 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 15.9949146 15.9949146 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5.6000000 5.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 (Enter /usr/local/gaussian/gaussian16/g16/l101.exe) 6-311+G(d,p) (5D, 7F) 0.10000e-02 0.10000e-05 F 616 A 596 A 596 928 616 75 75 1650.6203918807 46 46 46 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 -0.0510705988 PCM SMD-Coulomb. Total charges None On-the-fly selection n-Octanol 9.862900 2.043470 0.000000 2.956378 0.000000 1.455634 3.406611 0.000000 1.450837 2.422996 2.196318 0.000000 2.325744 1.427341 2.417757 1.547282 0.000000 2.332958 2.481796 1.549204 2.401565 1.552861 0.000000 2.324411 4.279087 1.547489 2.415158 2.975875 2.505328 0.000000 2.331999 3.753225 2.402527 1.549043 2.501174 2.913685 1.551250 0.000000 2.450745 4.544532 1.528120 3.611669 3.804824 2.630087 2.604060 3.790799 0.000000 2.441510 2.822601 3.599974 1.508955 2.599951 3.783811 3.771752 2.590802 4.870083 0.000000 2.933364 4.505105 2.554612 4.226101 4.238632 3.175407 3.955928 4.867415 1.534198 5.250668 0.000000 3.808485 5.479576 2.522896 4.712983 4.612191 3.165190 3.141882 4.583875 1.535000 6.116126 2.527552 0.000000 4.246057 1.432278 4.383644 3.736930 2.395007 3.086723 5.273203 4.878241 5.393941 4.181934 5.236229 6.060850 0.000000 5.145664 2.388915 5.504948 4.802239 3.695636 4.355016 6.553808 6.126904 6.336088 4.922262 5.849908 7.111986 1.506137 0.000000 5.267214 3.066485 5.653594 5.302606 4.359580 4.690686 6.928497 6.711932 6.174063 5.460787 5.365827 6.995795 2.535605 1.410868 0.000000 6.253661 3.385391 6.711873 5.701240 4.663974 5.551709 7.621460 6.990853 7.652068 5.558090 7.215460 8.441310 2.509552 1.396989 2.427991 0.000000 6.458782 4.330659 6.960748 6.521840 5.686048 6.073882 8.257116 7.985176 7.399018 6.476647 6.445499 8.260364 3.804654 2.413952 1.398579 2.769515 0.000000 4.563569 3.144734 4.777119 4.971314 4.130048 3.998400 6.209308 6.302126 4.996317 5.420197 4.016012 5.779116 2.962263 2.544295 1.508523 3.819853 2.522097 0.000000 7.289330 4.574329 7.846492 6.856951 5.931050 6.764834 8.849062 8.226576 8.669564 6.568862 8.048929 9.513297 3.803177 2.432560 2.819025 1.395058 2.412473 4.327432 0.000000 7.375012 4.955228 7.951166 7.211736 6.360101 6.983261 9.127818 8.666257 8.554859 6.975631 7.709871 9.429724 4.306400 2.800524 2.437971 2.405497 1.395734 3.815591 1.392338 0.000000 3.275704 2.063426 3.203303 2.197490 1.096390 2.224365 3.342212 2.664370 4.643898 3.065030 5.227163 5.237594 2.588635 4.009413 4.936665 4.752970 6.241020 4.919465 6.106838 6.743484 0.000000 2.793558 2.482886 2.188055 3.137794 2.172649 1.089264 3.460424 3.919847 2.758791 4.339182 2.765631 3.277355 2.816901 3.852316 3.936950 5.168989 5.301369 3.063666 6.273897 6.325634 2.938095 0.000000 3.276674 3.263037 2.208057 3.168071 2.221571 1.090475 2.670777 3.246397 3.127186 4.592642 3.876692 3.149560 3.549143 4.931862 5.386568 6.057127 6.783943 4.745373 7.331081 7.641120 2.412324 1.769185 0.000000 3.280607 4.742995 2.205424 3.210398 3.362244 2.692224 1.090868 2.221150 3.079535 4.616846 4.486747 3.088409 5.506405 6.893002 7.349394 7.946182 8.722911 6.640397 9.233452 9.576112 3.472626 3.666852 2.395866 0.000000 2.751948 5.184211 2.176808 3.130628 3.962766 3.459265 1.092505 2.199142 2.712848 4.289090 4.139023 3.255772 6.263071 7.473402 7.742088 8.562462 9.030325 6.926543 9.744059 9.950650 4.390553 4.303239 3.664380 1.769398 0.000000 2.795965 4.547470 3.157358 2.172156 3.444958 3.926186 2.199633 1.091652 4.361687 2.681247 5.441205 5.250183 5.774378 6.925037 7.474702 7.724479 8.681347 7.080945 8.902781 9.332134 3.623892 4.880743 4.312878 2.953675 2.349913 0.000000 3.273330 3.952712 3.166662 2.204675 2.656901 3.240686 2.224541 1.092137 4.604854 3.084035 5.697280 5.176689 4.867054 6.212566 6.991913 6.946385 8.282083 6.740297 8.250618 8.845439 2.351967 4.296290 3.296183 2.417533 2.980673 1.766710 0.000000 2.665479 5.254344 2.110636 3.908786 4.474000 3.516641 2.735265 3.904881 1.097346 5.016736 2.140976 2.146679 6.259169 7.171764 6.993868 8.452019 8.166017 5.834315 9.443396 9.312454 5.305045 3.772135 4.025177 3.367882 2.405281 4.210191 4.838723 0.000000 2.713347 2.514909 3.982820 2.156897 2.847265 4.014953 4.509091 3.527988 5.098940 1.090706 5.155745 6.424750 3.840362 4.273809 4.677238 4.888331 5.570957 4.740155 5.760688 6.060685 3.469432 4.306761 4.943656 5.363049 5.045447 3.711097 4.038038 5.324392 0.000000 2.707756 3.851562 3.957541 2.145000 3.527132 4.501061 3.945663 2.807954 5.075137 1.093213 5.525603 6.389303 5.242757 5.933431 6.354507 6.570674 7.309567 6.207184 7.506561 7.839092 4.010186 5.093317 5.307651 4.897160 4.191012 2.472042 3.461824 4.982191 1.778658 0.000000 3.384308 3.111767 4.340049 2.143906 2.887679 4.285349 4.287454 2.881065 5.731021 1.093844 6.195635 6.853210 4.273081 5.051691 5.829124 5.458983 6.816948 6.013715 6.515798 7.126764 2.962562 4.915649 4.931417 4.975289 4.891286 2.961758 2.992141 5.931364 1.771254 1.773356 0.000000 3.384509 4.178346 2.885386 4.454635 4.077902 2.937859 4.369707 5.212839 2.189452 5.516560 1.093992 2.783402 4.632346 5.190196 4.661670 6.583772 5.765472 3.256809 7.404885 7.049989 5.013983 2.204788 3.560861 4.741121 4.773914 5.943119 5.898131 3.068406 5.331525 5.980992 6.369073 0.000000 3.902132 5.581427 3.491772 5.253421 5.326181 4.199722 4.750012 5.790508 2.166992 6.242573 1.094513 2.773841 6.261566 6.791790 6.172864 8.165795 7.147521 4.740707 8.921801 8.467633 6.299671 3.764608 4.791538 5.228352 4.750293 6.285665 6.650292 2.452999 6.136787 6.418784 7.219973 1.764116 0.000000 2.580171 4.201964 2.785162 3.929006 4.146522 3.455269 4.193632 4.806513 2.185102 4.683145 1.092011 3.487348 5.096694 5.545942 5.003909 6.853311 5.988624 3.753990 7.601385 7.221183 5.216713 3.075153 4.358081 4.922047 4.357483 5.262468 5.710821 2.507353 4.448375 4.893043 5.695698 1.769149 1.769294 0.000000 4.124864 5.912829 2.771738 4.827163 4.836302 3.494769 2.804065 4.340168 2.193306 6.267019 3.491771 1.093426 6.534976 7.722735 7.766168 8.993859 9.079060 6.650980 10.147211 10.181935 5.294192 3.892551 3.261826 2.504341 2.799036 4.945700 4.831710 2.499465 6.745358 6.477678 6.910207 3.809584 3.766292 4.345832 0.000000 4.151555 5.200531 2.814913 4.882666 4.424053 2.876752 3.573393 4.884793 2.182433 6.322488 2.805284 1.095034 5.533863 6.588312 6.502399 7.911929 7.782305 5.323485 8.991365 8.931038 4.966714 2.804530 2.665295 3.343573 3.966702 5.711001 5.319088 3.068403 6.559898 6.766037 6.976363 2.616259 3.168027 3.804589 1.770564 0.000000 4.613276 6.385829 3.473428 5.665136 5.622640 4.175532 4.111400 5.571447 2.171948 7.004989 2.748072 1.093971 6.945314 7.884700 7.611223 9.248184 8.799089 6.280838 10.244121 10.039944 6.300219 4.128862 4.198593 4.094600 4.032538 6.148414 6.220635 2.489004 7.251363 7.203732 7.807628 3.080829 2.543091 3.762239 1.766234 1.766486 0.000000 4.366020 2.083023 4.164958 4.081062 2.618071 2.722146 5.141582 5.060846 4.992118 4.838743 4.821708 5.430605 1.097790 2.150719 2.786691 3.283574 4.119740 2.797126 4.481119 4.812539 2.851053 2.245101 3.000352 5.229877 6.139346 6.050910 5.066713 5.966577 4.591432 5.852621 5.038596 4.072257 5.789391 4.897485 5.948409 4.762828 6.275654 0.000000 4.854838 2.075609 4.940108 4.053133 2.693642 3.593529 5.560548 4.992098 6.105019 4.423292 6.143634 6.675772 1.097755 2.152204 3.435382 2.596047 4.562510 4.036251 3.987749 4.790670 2.418948 3.571763 3.828470 5.675928 6.603607 5.885541 4.742987 6.948002 4.239576 5.514447 4.243168 5.573767 7.190112 6.045684 7.008007 6.126015 7.629425 1.770732 0.000000 6.494477 3.568958 6.914320 5.715891 4.661098 5.705860 7.629426 6.864260 8.008284 5.537055 7.764289 8.747915 2.692280 2.145545 3.407331 1.085580 3.855075 4.687542 2.151000 3.389674 4.505777 5.504593 6.094813 7.883364 8.611104 7.588387 6.660968 8.795973 5.020715 6.575561 5.231743 7.170881 8.768361 7.444391 9.184872 8.215683 9.632539 3.537181 2.319847 0.000000 6.853368 5.081850 7.350275 7.119814 6.379723 6.595877 8.739793 8.592847 7.582909 7.105983 6.454569 8.444386 4.678522 3.397415 2.146660 3.855113 1.085605 2.709745 3.393028 2.148880 7.041735 5.733960 7.343035 9.242159 9.435401 9.260501 8.989016 8.310993 6.167805 7.852870 7.564154 5.789293 7.015720 5.978570 9.343321 8.001388 8.860648 4.859389 5.526364 4.940676 0.000000 3.540507 2.609756 3.911909 4.066074 3.468003 3.374844 5.352800 5.424271 4.182760 4.517317 3.267759 5.169554 2.939599 2.869077 2.156889 4.180315 3.237757 1.092075 4.832708 4.450175 4.400660 2.571830 4.283084 5.903874 6.005840 6.133264 5.972254 4.932762 3.872085 5.227843 5.224992 2.729994 4.098756 2.847599 6.005731 4.887312 5.716827 2.910761 4.029488 4.935123 3.457503 0.000000 5.245100 4.173421 5.486252 5.837119 5.133189 4.887371 6.983916 7.172442 5.451206 6.230257 4.233234 6.225775 4.041552 3.446739 2.156624 4.584452 2.613507 1.091874 4.819236 4.007957 5.974470 3.906446 5.642622 7.453454 7.602914 7.895311 7.693861 6.220335 5.483829 6.920164 6.901285 3.506445 4.745122 3.928878 7.186126 5.816777 6.561209 3.848596 5.104752 5.544022 2.340023 1.772481 0.000000 4.723924 3.333467 4.600745 5.112828 4.064939 3.636673 6.005236 6.271532 4.760712 5.819212 3.899381 5.271646 2.909612 2.853432 2.160997 4.173008 3.259248 1.095019 4.837743 4.467429 4.757186 2.602270 4.183100 6.268663 6.776325 7.156080 6.627033 5.722017 5.304144 6.650211 6.367883 2.947914 4.606453 3.939765 6.133976 4.649933 5.780144 2.345461 3.917012 4.922750 3.489309 1.757604 1.768149 0.000000 8.190286 5.435730 8.782400 7.645556 6.750715 7.686528 9.701265 8.973655 9.674581 7.241864 9.101662 10.520130 4.663996 3.412400 3.903607 2.154869 3.399645 5.412030 1.084600 2.156099 6.813748 7.261986 8.211517 10.070780 10.609500 9.612233 8.921287 10.433015 6.458934 8.164141 7.062135 8.472381 9.988855 8.636473 11.114856 9.993321 11.279031 5.386873 4.654668 2.478547 4.293423 5.896987 5.883878 5.902630 0.000000 8.328686 6.005140 8.951386 8.210913 7.418453 8.030221 10.154958 9.687891 9.492355 7.895279 8.562632 10.386670 5.391333 3.885421 3.415011 3.393343 2.152476 4.674178 2.154141 1.084941 7.815882 7.343588 8.704150 10.629849 10.949458 10.317350 9.890401 10.222640 6.934890 8.707624 8.050908 7.914210 9.256814 8.033913 11.173557 9.897878 10.947699 5.877223 5.855440 4.292077 2.470103 5.333117 4.671429 5.356317 2.490645 0.000000 C18H26O2 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 0 248.19139999999987 AuxInfo=1/0/N:3;4;5;6;7;8;9;10;11;12;13;14;15;16;17;18;19;20;1;2;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/rA:46nO0O0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:-2.0136,-.3859,1.1426;.5826,-.8877,-.1795;-2.6411,.2035,-.0312;-1.602,-1.6431,.5468;-.7398,-1.1589,-.6432;-1.4987,.1253,-1.0747;-3.6912,-.875,-.3902;-2.9374,-2.1807,-.0251;-3.1987,1.587,.3004;-.9179,-2.5274,1.5603;-2.1458,2.5337,.8912;-3.8713,2.2152,-.9281;1.5061,-.5649,-1.2257;2.821,-.1702,-.6061;2.9482,1.0431,.1025;3.9216,-1.0228,-.7219;4.1875,1.357,.6695;1.7813,1.9874,.2526;5.1528,-.6949,-.1539;5.2835,.5015,.5462;-.692,-1.9161,-1.4347;-.8345,.9842,-.9873;-1.8732,.08,-2.0978;-3.9899,-.8284,-1.4383;-4.5837,-.7445,.2263;-3.464,-2.7435,.748;-2.7798,-2.8448,-.8777;-3.9686,1.4243,1.0652;-.0301,-2.0429,1.9687;-1.6053,-2.7607,2.3777;-.6119,-3.4659,1.089;-1.3739,2.7887,.159;-2.6199,3.4683,1.2068;-1.6545,2.0931,1.7613;-4.6658,1.5805,-1.33;-3.1437,2.3934,-1.7268;-4.3167,3.1792,-.6652;1.1108,.2554,-1.8389;1.6361,-1.4351,-1.8821;3.8104,-1.9567,-1.264;4.2959,2.2885,1.2164;.9554,1.5092,.7834;2.0718,2.8857,.8011;1.3957,2.299,-.7237;5.9965,-1.369,-.2547;6.2329,.7716,.9964; 0.6464763 0.1936814 0.1667626 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= 596 RedAO= T EigKep= 1.04D-06 NBF= 596 NBsUse= 595 1.00D-06 EigRej= 5.10D-07 NBFU= 595 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= 616 616 616 616 616 MxSgAt= 46 MxSgA2= 46. 1 Closed 1 1 1 -852.317003357177 -852.317003357 1 8.483924837484e+02 -5.283957880157e+03 1.932682434107e+03 Using DIIS extrapolation, IDIIS= 1040. NGot= 4246732800 LenX= 4245951938 LenY= 4245571866 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. PT1041.400S 2022-11-18T18:14:59.000 -19.12427 -19.11771 -10.22106 -10.21831 -10.21666 -10.21500 -10.18262 -10.17803 -10.17213 -10.17193 -10.16999 -10.16937 -10.16892 -10.16054 -10.15870 -10.15849 -10.15575 -10.15201 -10.15200 -10.14708 -1.04995 -1.02725 -0.86139 -0.80916 -0.79732 -0.77455 -0.76364 -0.74994 -0.73738 -0.69093 -0.67803 -0.67319 -0.66337 -0.60520 -0.59777 -0.59606 -0.57240 -0.55471 -0.53974 -0.50617 -0.49794 -0.48859 -0.48066 -0.47502 -0.45441 -0.44364 -0.44127 -0.43202 -0.42539 -0.41509 -0.41166 -0.40973 -0.40580 -0.40074 -0.39533 -0.38693 -0.37907 -0.37386 -0.36964 -0.36240 -0.35674 -0.35407 -0.34909 -0.33863 -0.33833 -0.33176 -0.32859 -0.32407 -0.31403 -0.30868 -0.29843 -0.26954 -0.25719 -0.25359 -0.24485 -0.01789 -0.01146 0.00533 0.01338 0.01566 0.02226 0.02500 0.03045 0.03713 0.03871 0.04365 0.04656 0.04701 0.05689 0.05895 0.06132 0.06560 0.06897 0.07172 0.07382 0.07855 0.08494 0.08775 0.09224 0.09497 0.09719 0.09878 0.10188 0.10364 0.10855 0.11007 0.11591 0.11988 0.12443 0.12666 0.12879 0.13370 0.13519 0.13947 0.14123 0.14668 0.14979 0.15089 0.15525 0.15735 0.16349 0.16399 0.16578 0.17033 0.17184 0.17436 0.17790 0.18054 0.18152 0.18689 0.19119 0.19209 0.19264 0.19697 0.19952 0.20514 0.20636 0.21168 0.21334 0.21489 0.21680 0.21854 0.21887 0.22268 0.22354 0.22797 0.22898 0.23068 0.23428 0.23831 0.23889 0.23989 0.24165 0.24877 0.25250 0.25497 0.25831 0.26002 0.26247 0.26569 0.26860 0.27164 0.27259 0.27937 0.28159 0.28227 0.28487 0.28773 0.29234 0.29440 0.29877 0.30103 0.30494 0.30994 0.31425 0.31750 0.32433 0.32476 0.32654 0.33158 0.33561 0.33656 0.34484 0.34770 0.35399 0.36064 0.36644 0.37074 0.37497 0.37791 0.38190 0.38457 0.38861 0.40228 0.40364 0.40776 0.41132 0.41606 0.42416 0.42801 0.43094 0.43753 0.44718 0.46104 0.47103 0.47207 0.48707 0.49437 0.50811 0.52366 0.52666 0.52907 0.53943 0.54306 0.55086 0.55367 0.55481 0.56072 0.56476 0.56979 0.57665 0.58232 0.58557 0.59117 0.59841 0.60114 0.60863 0.61564 0.62053 0.62163 0.63074 0.63409 0.64344 0.64648 0.64966 0.65627 0.66198 0.66900 0.67364 0.67804 0.68053 0.68297 0.68930 0.69210 0.69454 0.69855 0.70564 0.70892 0.71458 0.71525 0.72212 0.72402 0.72720 0.73116 0.73230 0.73406 0.73855 0.74136 0.75161 0.75295 0.75725 0.76496 0.77503 0.77817 0.78547 0.78813 0.78953 0.80252 0.81144 0.81581 0.82118 0.82551 0.83228 0.83661 0.84273 0.85703 0.86216 0.86497 0.87466 0.88013 0.89247 0.92021 0.92578 0.93590 0.94308 0.95483 0.96243 0.96954 0.97518 0.99352 0.99748 1.00916 1.01926 1.02740 1.03401 1.04479 1.05669 1.06860 1.08149 1.08907 1.10993 1.11346 1.12335 1.12884 1.15277 1.15929 1.16527 1.18011 1.19972 1.21558 1.22424 1.24389 1.25205 1.25336 1.28517 1.29241 1.32400 1.32768 1.33293 1.34531 1.37544 1.38822 1.40136 1.42484 1.43844 1.44821 1.46153 1.46711 1.47144 1.47506 1.48122 1.48510 1.49318 1.50088 1.50578 1.50660 1.51379 1.52251 1.52560 1.53183 1.53724 1.54474 1.55400 1.55757 1.56307 1.57454 1.57653 1.57977 1.58577 1.58825 1.59538 1.60694 1.61034 1.61250 1.62122 1.63162 1.64140 1.64766 1.65128 1.65590 1.66701 1.67284 1.67486 1.68380 1.68660 1.70896 1.71158 1.71863 1.72155 1.72568 1.73391 1.73954 1.75147 1.75430 1.75604 1.76378 1.76924 1.78125 1.79268 1.79355 1.79635 1.81044 1.81514 1.82493 1.83465 1.84073 1.84472 1.85322 1.86236 1.87053 1.88244 1.88972 1.90358 1.90539 1.91059 1.91929 1.93098 1.93589 1.94156 1.94518 1.95215 1.95880 1.97128 1.97879 1.98706 1.99380 2.00899 2.02927 2.04223 2.05575 2.05859 2.06505 2.07758 2.08363 2.09733 2.10504 2.12595 2.13021 2.13911 2.15054 2.15867 2.16312 2.16739 2.17817 2.18495 2.20507 2.21991 2.22944 2.25180 2.26443 2.27434 2.28768 2.29943 2.31096 2.32154 2.32950 2.33901 2.36208 2.38452 2.38898 2.39094 2.40226 2.40600 2.41457 2.42521 2.43728 2.46782 2.47798 2.48714 2.49206 2.50822 2.51256 2.52229 2.52554 2.52810 2.54016 2.54282 2.54665 2.56102 2.56794 2.57078 2.58288 2.59284 2.59960 2.61034 2.63378 2.64044 2.65428 2.66182 2.66831 2.67513 2.68597 2.68649 2.69541 2.70458 2.71468 2.72010 2.73263 2.73637 2.74043 2.74775 2.74910 2.76271 2.76960 2.77612 2.78660 2.79167 2.80141 2.82572 2.83234 2.83841 2.84229 2.85846 2.86409 2.88765 2.90088 2.90423 2.91982 2.93474 2.94177 2.94626 2.95774 2.96787 2.98403 2.98838 2.99241 3.01830 3.03579 3.04562 3.05411 3.07441 3.10039 3.10327 3.12241 3.12925 3.14441 3.16462 3.17854 3.18641 3.20303 3.23084 3.24331 3.26626 3.27504 3.28875 3.31107 3.32096 3.34816 3.37187 3.38258 3.39969 3.42707 3.46750 3.54222 3.57359 3.59290 3.64051 3.67534 3.70878 3.73643 3.78770 3.81277 3.81508 3.82047 3.83750 3.84556 3.84990 3.85892 3.86395 3.89810 3.98098 4.04281 4.05465 4.05767 4.08965 4.10758 4.12909 4.17360 4.18063 4.19105 4.23468 4.30364 4.31291 4.32447 4.33316 4.39713 4.44323 4.48419 4.85834 5.20835 5.25390 5.44905 5.51778 5.65830 5.75873 23.59333 23.78092 23.83258 23.85306 23.88966 23.92423 23.93648 23.95663 23.97502 23.97945 23.98716 23.99941 24.01015 24.02412 24.04104 24.08661 24.09924 24.19206 49.99785 50.02821 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 O O C C C C C C C C C C C C C C C C C C H H H H H H H H H H H H H H H H H H H H H H H H H H -0.100366 -0.029901 -0.052463 0.051041 -0.275111 -0.629737 -0.329356 -0.631683 0.538652 -0.105998 -0.636100 -0.600013 -0.812249 0.383966 0.750911 -0.155153 -0.380242 -0.690592 -0.375577 -0.108066 0.157806 0.166753 0.182446 0.166031 0.165012 0.160603 0.161577 0.147583 0.170803 0.160754 0.167299 0.148228 0.150919 0.163172 0.150747 0.154925 0.153582 0.169183 0.164849 0.148186 0.148547 0.185515 0.159480 0.172493 0.155742 0.155800 -0.00000 -1.4853 -0.2703 -3.5706 3.8767 -117.2674 -116.0078 -125.1903 0.9316 4.8481 4.4447 2.2211 3.4807 -5.7018 0.9316 4.8481 4.4447 -0.2261 -12.7431 -6.7837 -3.3427 -9.4622 10.6900 -7.3884 -5.7557 2.1804 13.9575 -6517.4268 -1886.1855 -696.3917 -58.9480 105.5958 8.3453 23.5334 4.7643 4.4636 -1405.8083 -1303.4025 -422.2906 76.2631 -11.8263 12.3537 (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A) (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(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-BELVIS16 APULGAR 2022-11-18T00:00:00.000 0 Wavefunction cinmethylin CONF104 octanol 0 1 Version=EM64L-G16RevC.01 State=1-A HF=-852.3170034 RMSD=4.730e-09 Dipole=0.5629846,0.5174858,1.3196498 Quadrupole=1.9368923,0.1834033,-2.1202956,0.7004827,4.5366419,-3.588408 PG=C01 [X(C18H26O2)] 0 2.109476437 -0.1269985318 -1.1144732026 0 -0.2585091635 -0.8778678279 0.4883406221 0 2.5184909323 0.9580659658 -0.2345804173 0 2.0646711944 -1.1881134958 -0.1260619433 0 1.0768565731 -0.6069554245 0.9134382668 0 1.4266028925 0.9051709816 0.8631517849 0 3.8268983721 0.3888920698 0.3644465039 0 3.4869001885 -1.1199119491 0.4839779513 0 2.661683035 2.2589865039 -1.0234106987 0 1.6829738038 -2.5043291579 -0.7575912884 0 1.3929532762 2.6335554376 -1.8004475931 0 3.1016999382 3.4093232965 -0.1072583501 0 -1.2558368582 -0.506132113 1.4467618424 0 -2.6164147095 -0.7132777471 0.8349072894 0 -3.0728869417 0.1221065421 -0.2063976593 0 -3.4279119225 -1.7537359871 1.2937065613 0 -4.3389487002 -0.1203561211 -0.7489131377 0 -2.22356908 1.2529001203 -0.7313799215 0 -4.6902549036 -1.9815447771 0.7452712583 0 -5.1453142064 -1.1596795256 -0.282378081 0 1.2331695715 -1.0514031613 1.9034401712 0 0.5456034058 1.4700732466 0.5611243401 0 1.7785706823 1.2969046452 1.8180331191 0 4.079239654 0.8508362847 1.3199169989 0 4.6560398464 0.5569773932 -0.3268122939 0 4.1677105631 -1.7314966061 -0.1111404947 0 3.5101030323 -1.4909754806 1.5108845319 0 3.4605732459 2.0798627537 -1.7540663352 0 0.7015735134 -2.4436344001 -1.2296180938 0 2.4240947246 -2.7871979952 -1.5098141407 0 1.6503033397 -3.2874853385 0.0053592771 0 0.5663854981 2.8852343698 -1.1294315834 0 1.5847733593 3.5099746465 -2.4273874181 0 1.0658243609 1.818643725 -2.4495953659 0 4.0370349339 3.1846572593 0.4126012859 0 2.3383008341 3.6251029093 0.6475657498 0 3.2566006633 4.3212964996 -0.6912816001 0 -1.1245799702 0.5433170644 1.740993086 0 -1.1431581591 -1.1191352292 2.3504193187 0 -3.0637990183 -2.3941162931 2.0910892618 0 -4.6996275808 0.517119371 -1.5502083716 0 -1.2849647102 0.8789694542 -1.1458989549 0 -2.7490830669 1.8092032583 -1.5101930108 0 -1.9626366815 1.9558763923 0.0666201865 0 -5.3066444161 -2.7938485064 1.114843202 0 -6.1234500496 -1.3236831574 -0.7222069062 Gaussian 16 18-Nov-2022 Gaussian 16 3-Jul-2019 EM64L-G16RevC.01 132 C1[X(C18H26O2)] 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 0 248.19139999999987 AuxInfo=1/0/N:3;4;5;6;7;8;9;10;11;12;13;14;15;16;17;18;19;20;1;2;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/rA:46nO0O0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:2.1095,-.127,-1.1145;-.2585,-.8779,.4883;2.5185,.9581,-.2346;2.0647,-1.1881,-.1261;1.0769,-.607,.9134;1.4266,.9052,.8632;3.8269,.3889,.3644;3.4869,-1.1199,.484;2.6617,2.259,-1.0234;1.683,-2.5043,-.7576;1.393,2.6336,-1.8004;3.1017,3.4093,-.1073;-1.2558,-.5061,1.4468;-2.6164,-.7133,.8349;-3.0729,.1221,-.2064;-3.4279,-1.7537,1.2937;-4.3389,-.1204,-.7489;-2.2236,1.2529,-.7314;-4.6903,-1.9815,.7453;-5.1453,-1.1597,-.2824;1.2332,-1.0514,1.9034;.5456,1.4701,.5611;1.7786,1.2969,1.818;4.0792,.8508,1.3199;4.656,.557,-.3268;4.1677,-1.7315,-.1111;3.5101,-1.491,1.5109;3.4606,2.0799,-1.7541;.7016,-2.4436,-1.2296;2.4241,-2.7872,-1.5098;1.6503,-3.2875,.0054;.5664,2.8852,-1.1294;1.5848,3.51,-2.4274;1.0658,1.8186,-2.4496;4.037,3.1847,.4126;2.3383,3.6251,.6476;3.2566,4.3213,-.6913;-1.1246,.5433,1.741;-1.1432,-1.1191,2.3504;-3.0638,-2.3941,2.0911;-4.6996,.5171,-1.5502;-1.285,.879,-1.1459;-2.7491,1.8092,-1.5102;-1.9626,1.9559,.0666;-5.3066,-2.7938,1.1148;-6.1235,-1.3237,-.7222; oldchk=/home/apulgar/almacen/pesticidas/gaussian_results/30_herbicides/cinmethy #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 cinmethylin CONF104 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 16 16 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 15.9949146 15.9949146 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5.6000000 5.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 (Enter /usr/local/gaussian/gaussian16/g16/l101.exe) 6-311+G(d,p) (5D, 7F) 0.10000e-02 0.10000e-05 F 616 A 596 A 596 928 616 75 75 1650.6203918807 46 46 46 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 -0.0510705988 PCM SMD-Coulomb. Total charges None On-the-fly selection n-Octanol 9.862900 2.043470 0.000000 2.956378 0.000000 1.455634 3.406611 0.000000 1.450837 2.422996 2.196318 0.000000 2.325744 1.427341 2.417757 1.547282 0.000000 2.332958 2.481796 1.549204 2.401565 1.552861 0.000000 2.324411 4.279087 1.547489 2.415158 2.975875 2.505328 0.000000 2.331999 3.753225 2.402527 1.549043 2.501174 2.913685 1.551250 0.000000 2.450745 4.544532 1.528120 3.611669 3.804824 2.630087 2.604060 3.790799 0.000000 2.441510 2.822601 3.599974 1.508955 2.599951 3.783811 3.771752 2.590802 4.870083 0.000000 2.933364 4.505105 2.554612 4.226101 4.238632 3.175407 3.955928 4.867415 1.534198 5.250668 0.000000 3.808485 5.479576 2.522896 4.712983 4.612191 3.165190 3.141882 4.583875 1.535000 6.116126 2.527552 0.000000 4.246057 1.432278 4.383644 3.736930 2.395007 3.086723 5.273203 4.878241 5.393941 4.181934 5.236229 6.060850 0.000000 5.145664 2.388915 5.504948 4.802239 3.695636 4.355016 6.553808 6.126904 6.336088 4.922262 5.849908 7.111986 1.506137 0.000000 5.267214 3.066485 5.653594 5.302606 4.359580 4.690686 6.928497 6.711932 6.174063 5.460787 5.365827 6.995795 2.535605 1.410868 0.000000 6.253661 3.385391 6.711873 5.701240 4.663974 5.551709 7.621460 6.990853 7.652068 5.558090 7.215460 8.441310 2.509552 1.396989 2.427991 0.000000 6.458782 4.330659 6.960748 6.521840 5.686048 6.073882 8.257116 7.985176 7.399018 6.476647 6.445499 8.260364 3.804654 2.413952 1.398579 2.769515 0.000000 4.563569 3.144734 4.777119 4.971314 4.130048 3.998400 6.209308 6.302126 4.996317 5.420197 4.016012 5.779116 2.962263 2.544295 1.508523 3.819853 2.522097 0.000000 7.289330 4.574329 7.846492 6.856951 5.931050 6.764834 8.849062 8.226576 8.669564 6.568862 8.048929 9.513297 3.803177 2.432560 2.819025 1.395058 2.412473 4.327432 0.000000 7.375012 4.955228 7.951166 7.211736 6.360101 6.983261 9.127818 8.666257 8.554859 6.975631 7.709871 9.429724 4.306400 2.800524 2.437971 2.405497 1.395734 3.815591 1.392338 0.000000 3.275704 2.063426 3.203303 2.197490 1.096390 2.224365 3.342212 2.664370 4.643898 3.065030 5.227163 5.237594 2.588635 4.009413 4.936665 4.752970 6.241020 4.919465 6.106838 6.743484 0.000000 2.793558 2.482886 2.188055 3.137794 2.172649 1.089264 3.460424 3.919847 2.758791 4.339182 2.765631 3.277355 2.816901 3.852316 3.936950 5.168989 5.301369 3.063666 6.273897 6.325634 2.938095 0.000000 3.276674 3.263037 2.208057 3.168071 2.221571 1.090475 2.670777 3.246397 3.127186 4.592642 3.876692 3.149560 3.549143 4.931862 5.386568 6.057127 6.783943 4.745373 7.331081 7.641120 2.412324 1.769185 0.000000 3.280607 4.742995 2.205424 3.210398 3.362244 2.692224 1.090868 2.221150 3.079535 4.616846 4.486747 3.088409 5.506405 6.893002 7.349394 7.946182 8.722911 6.640397 9.233452 9.576112 3.472626 3.666852 2.395866 0.000000 2.751948 5.184211 2.176808 3.130628 3.962766 3.459265 1.092505 2.199142 2.712848 4.289090 4.139023 3.255772 6.263071 7.473402 7.742088 8.562462 9.030325 6.926543 9.744059 9.950650 4.390553 4.303239 3.664380 1.769398 0.000000 2.795965 4.547470 3.157358 2.172156 3.444958 3.926186 2.199633 1.091652 4.361687 2.681247 5.441205 5.250183 5.774378 6.925037 7.474702 7.724479 8.681347 7.080945 8.902781 9.332134 3.623892 4.880743 4.312878 2.953675 2.349913 0.000000 3.273330 3.952712 3.166662 2.204675 2.656901 3.240686 2.224541 1.092137 4.604854 3.084035 5.697280 5.176689 4.867054 6.212566 6.991913 6.946385 8.282083 6.740297 8.250618 8.845439 2.351967 4.296290 3.296183 2.417533 2.980673 1.766710 0.000000 2.665479 5.254344 2.110636 3.908786 4.474000 3.516641 2.735265 3.904881 1.097346 5.016736 2.140976 2.146679 6.259169 7.171764 6.993868 8.452019 8.166017 5.834315 9.443396 9.312454 5.305045 3.772135 4.025177 3.367882 2.405281 4.210191 4.838723 0.000000 2.713347 2.514909 3.982820 2.156897 2.847265 4.014953 4.509091 3.527988 5.098940 1.090706 5.155745 6.424750 3.840362 4.273809 4.677238 4.888331 5.570957 4.740155 5.760688 6.060685 3.469432 4.306761 4.943656 5.363049 5.045447 3.711097 4.038038 5.324392 0.000000 2.707756 3.851562 3.957541 2.145000 3.527132 4.501061 3.945663 2.807954 5.075137 1.093213 5.525603 6.389303 5.242757 5.933431 6.354507 6.570674 7.309567 6.207184 7.506561 7.839092 4.010186 5.093317 5.307651 4.897160 4.191012 2.472042 3.461824 4.982191 1.778658 0.000000 3.384308 3.111767 4.340049 2.143906 2.887679 4.285349 4.287454 2.881065 5.731021 1.093844 6.195635 6.853210 4.273081 5.051691 5.829124 5.458983 6.816948 6.013715 6.515798 7.126764 2.962562 4.915649 4.931417 4.975289 4.891286 2.961758 2.992141 5.931364 1.771254 1.773356 0.000000 3.384509 4.178346 2.885386 4.454635 4.077902 2.937859 4.369707 5.212839 2.189452 5.516560 1.093992 2.783402 4.632346 5.190196 4.661670 6.583772 5.765472 3.256809 7.404885 7.049989 5.013983 2.204788 3.560861 4.741121 4.773914 5.943119 5.898131 3.068406 5.331525 5.980992 6.369073 0.000000 3.902132 5.581427 3.491772 5.253421 5.326181 4.199722 4.750012 5.790508 2.166992 6.242573 1.094513 2.773841 6.261566 6.791790 6.172864 8.165795 7.147521 4.740707 8.921801 8.467633 6.299671 3.764608 4.791538 5.228352 4.750293 6.285665 6.650292 2.452999 6.136787 6.418784 7.219973 1.764116 0.000000 2.580171 4.201964 2.785162 3.929006 4.146522 3.455269 4.193632 4.806513 2.185102 4.683145 1.092011 3.487348 5.096694 5.545942 5.003909 6.853311 5.988624 3.753990 7.601385 7.221183 5.216713 3.075153 4.358081 4.922047 4.357483 5.262468 5.710821 2.507353 4.448375 4.893043 5.695698 1.769149 1.769294 0.000000 4.124864 5.912829 2.771738 4.827163 4.836302 3.494769 2.804065 4.340168 2.193306 6.267019 3.491771 1.093426 6.534976 7.722735 7.766168 8.993859 9.079060 6.650980 10.147211 10.181935 5.294192 3.892551 3.261826 2.504341 2.799036 4.945700 4.831710 2.499465 6.745358 6.477678 6.910207 3.809584 3.766292 4.345832 0.000000 4.151555 5.200531 2.814913 4.882666 4.424053 2.876752 3.573393 4.884793 2.182433 6.322488 2.805284 1.095034 5.533863 6.588312 6.502399 7.911929 7.782305 5.323485 8.991365 8.931038 4.966714 2.804530 2.665295 3.343573 3.966702 5.711001 5.319088 3.068403 6.559898 6.766037 6.976363 2.616259 3.168027 3.804589 1.770564 0.000000 4.613276 6.385829 3.473428 5.665136 5.622640 4.175532 4.111400 5.571447 2.171948 7.004989 2.748072 1.093971 6.945314 7.884700 7.611223 9.248184 8.799089 6.280838 10.244121 10.039944 6.300219 4.128862 4.198593 4.094600 4.032538 6.148414 6.220635 2.489004 7.251363 7.203732 7.807628 3.080829 2.543091 3.762239 1.766234 1.766486 0.000000 4.366020 2.083023 4.164958 4.081062 2.618071 2.722146 5.141582 5.060846 4.992118 4.838743 4.821708 5.430605 1.097790 2.150719 2.786691 3.283574 4.119740 2.797126 4.481119 4.812539 2.851053 2.245101 3.000352 5.229877 6.139346 6.050910 5.066713 5.966577 4.591432 5.852621 5.038596 4.072257 5.789391 4.897485 5.948409 4.762828 6.275654 0.000000 4.854838 2.075609 4.940108 4.053133 2.693642 3.593529 5.560548 4.992098 6.105019 4.423292 6.143634 6.675772 1.097755 2.152204 3.435382 2.596047 4.562510 4.036251 3.987749 4.790670 2.418948 3.571763 3.828470 5.675928 6.603607 5.885541 4.742987 6.948002 4.239576 5.514447 4.243168 5.573767 7.190112 6.045684 7.008007 6.126015 7.629425 1.770732 0.000000 6.494477 3.568958 6.914320 5.715891 4.661098 5.705860 7.629426 6.864260 8.008284 5.537055 7.764289 8.747915 2.692280 2.145545 3.407331 1.085580 3.855075 4.687542 2.151000 3.389674 4.505777 5.504593 6.094813 7.883364 8.611104 7.588387 6.660968 8.795973 5.020715 6.575561 5.231743 7.170881 8.768361 7.444391 9.184872 8.215683 9.632539 3.537181 2.319847 0.000000 6.853368 5.081850 7.350275 7.119814 6.379723 6.595877 8.739793 8.592847 7.582909 7.105983 6.454569 8.444386 4.678522 3.397415 2.146660 3.855113 1.085605 2.709745 3.393028 2.148880 7.041735 5.733960 7.343035 9.242159 9.435401 9.260501 8.989016 8.310993 6.167805 7.852870 7.564154 5.789293 7.015720 5.978570 9.343321 8.001388 8.860648 4.859389 5.526364 4.940676 0.000000 3.540507 2.609756 3.911909 4.066074 3.468003 3.374844 5.352800 5.424271 4.182760 4.517317 3.267759 5.169554 2.939599 2.869077 2.156889 4.180315 3.237757 1.092075 4.832708 4.450175 4.400660 2.571830 4.283084 5.903874 6.005840 6.133264 5.972254 4.932762 3.872085 5.227843 5.224992 2.729994 4.098756 2.847599 6.005731 4.887312 5.716827 2.910761 4.029488 4.935123 3.457503 0.000000 5.245100 4.173421 5.486252 5.837119 5.133189 4.887371 6.983916 7.172442 5.451206 6.230257 4.233234 6.225775 4.041552 3.446739 2.156624 4.584452 2.613507 1.091874 4.819236 4.007957 5.974470 3.906446 5.642622 7.453454 7.602914 7.895311 7.693861 6.220335 5.483829 6.920164 6.901285 3.506445 4.745122 3.928878 7.186126 5.816777 6.561209 3.848596 5.104752 5.544022 2.340023 1.772481 0.000000 4.723924 3.333467 4.600745 5.112828 4.064939 3.636673 6.005236 6.271532 4.760712 5.819212 3.899381 5.271646 2.909612 2.853432 2.160997 4.173008 3.259248 1.095019 4.837743 4.467429 4.757186 2.602270 4.183100 6.268663 6.776325 7.156080 6.627033 5.722017 5.304144 6.650211 6.367883 2.947914 4.606453 3.939765 6.133976 4.649933 5.780144 2.345461 3.917012 4.922750 3.489309 1.757604 1.768149 0.000000 8.190286 5.435730 8.782400 7.645556 6.750715 7.686528 9.701265 8.973655 9.674581 7.241864 9.101662 10.520130 4.663996 3.412400 3.903607 2.154869 3.399645 5.412030 1.084600 2.156099 6.813748 7.261986 8.211517 10.070780 10.609500 9.612233 8.921287 10.433015 6.458934 8.164141 7.062135 8.472381 9.988855 8.636473 11.114856 9.993321 11.279031 5.386873 4.654668 2.478547 4.293423 5.896987 5.883878 5.902630 0.000000 8.328686 6.005140 8.951386 8.210913 7.418453 8.030221 10.154958 9.687891 9.492355 7.895279 8.562632 10.386670 5.391333 3.885421 3.415011 3.393343 2.152476 4.674178 2.154141 1.084941 7.815882 7.343588 8.704150 10.629849 10.949458 10.317350 9.890401 10.222640 6.934890 8.707624 8.050908 7.914210 9.256814 8.033913 11.173557 9.897878 10.947699 5.877223 5.855440 4.292077 2.470103 5.333117 4.671429 5.356317 2.490645 0.000000 C18H26O2 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 0 248.19139999999987 AuxInfo=1/0/N:3;4;5;6;7;8;9;10;11;12;13;14;15;16;17;18;19;20;1;2;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/rA:46nO0O0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:-2.0136,-.3859,1.1426;.5826,-.8877,-.1795;-2.6411,.2035,-.0312;-1.602,-1.6431,.5468;-.7398,-1.1589,-.6432;-1.4987,.1253,-1.0747;-3.6912,-.875,-.3902;-2.9374,-2.1807,-.0251;-3.1987,1.587,.3004;-.9179,-2.5274,1.5603;-2.1458,2.5337,.8912;-3.8713,2.2152,-.9281;1.5061,-.5649,-1.2257;2.821,-.1702,-.6061;2.9482,1.0431,.1025;3.9216,-1.0228,-.7219;4.1875,1.357,.6695;1.7813,1.9874,.2526;5.1528,-.6949,-.1539;5.2835,.5015,.5462;-.692,-1.9161,-1.4347;-.8345,.9842,-.9873;-1.8732,.08,-2.0978;-3.9899,-.8284,-1.4383;-4.5837,-.7445,.2263;-3.464,-2.7435,.748;-2.7798,-2.8448,-.8777;-3.9686,1.4243,1.0652;-.0301,-2.0429,1.9687;-1.6053,-2.7607,2.3777;-.6119,-3.4659,1.089;-1.3739,2.7887,.159;-2.6199,3.4683,1.2068;-1.6545,2.0931,1.7613;-4.6658,1.5805,-1.33;-3.1437,2.3934,-1.7268;-4.3167,3.1792,-.6652;1.1108,.2554,-1.8389;1.6361,-1.4351,-1.8821;3.8104,-1.9567,-1.264;4.2959,2.2885,1.2164;.9554,1.5092,.7834;2.0718,2.8857,.8011;1.3957,2.299,-.7237;5.9965,-1.369,-.2547;6.2329,.7716,.9964; 0.6464763 0.1936814 0.1667626 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= 596 RedAO= T EigKep= 1.04D-06 NBF= 596 NBsUse= 595 1.00D-06 EigRej= 5.10D-07 NBFU= 595 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= 616 616 616 616 616 MxSgAt= 46 MxSgA2= 46. 1 Closed 1 1 1 -852.317003357176 -852.317003357 1 8.483924837484e+02 -5.283957880157e+03 1.932682434107e+03 Using DIIS extrapolation, IDIIS= 1040. NGot= 4246732800 LenX= 4245951938 LenY= 4245571866 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 5.2080 238.07 0.0063 0.000 73 76 -0.14809 73 77 -0.17842 74 76 -0.32097 74 77 -0.22323 75 76 0.39663 75 77 -0.36414 -852.125613651 2 Singlet-A 5.6724 218.57 0.0261 0.000 72 76 0.15509 73 76 -0.29964 74 76 0.46429 75 76 0.34751 75 77 0.18306 3 Singlet-A 5.7862 214.28 0.0228 0.000 72 76 -0.14359 73 76 0.48543 74 77 -0.18379 75 76 0.30622 75 77 0.32119 4 Singlet-A 5.9806 207.31 0.0116 0.000 72 77 -0.17738 73 77 0.52153 74 77 -0.42210 75 77 -0.10163 5 Singlet-A 6.1332 202.15 0.0053 0.000 75 78 0.55323 75 79 -0.36009 75 80 -0.22498 6 Singlet-A 6.2607 198.04 0.0052 0.000 72 76 0.66218 73 76 0.20522 7 Singlet-A 6.3506 195.23 0.0459 0.000 73 78 -0.15502 73 80 -0.12993 74 78 0.55708 74 79 -0.24596 75 78 0.12879 75 79 0.10254 75 80 0.12597 8 Singlet-A 6.3821 194.27 0.6652 0.000 73 76 0.19150 73 77 0.29037 74 76 0.11206 74 77 0.39794 75 76 0.28026 75 77 -0.24228 9 Singlet-A 6.4130 193.33 0.1068 0.000 73 78 0.44383 73 79 -0.17000 74 76 0.14376 74 78 0.10978 74 79 -0.23218 74 80 -0.18963 75 77 -0.13192 75 78 -0.15879 75 79 -0.18570 75 80 -0.14909 75 82 -0.10218 10 Singlet-A 6.4364 192.63 0.2852 0.000 73 76 0.13149 73 77 -0.19408 74 76 0.22651 74 77 -0.14559 75 76 -0.11399 75 77 -0.21110 75 78 0.24872 75 79 0.39436 75 82 0.23447 PT47758.200S 2022-11-18T18:48:18.000 -19.12427 -19.11771 -10.22106 -10.21831 -10.21666 -10.21500 -10.18262 -10.17803 -10.17213 -10.17193 -10.16999 -10.16937 -10.16892 -10.16054 -10.15870 -10.15849 -10.15575 -10.15201 -10.15200 -10.14708 -1.04995 -1.02725 -0.86139 -0.80916 -0.79732 -0.77455 -0.76364 -0.74994 -0.73738 -0.69093 -0.67803 -0.67319 -0.66337 -0.60520 -0.59777 -0.59606 -0.57240 -0.55471 -0.53974 -0.50617 -0.49794 -0.48859 -0.48066 -0.47502 -0.45441 -0.44364 -0.44127 -0.43202 -0.42539 -0.41509 -0.41166 -0.40973 -0.40580 -0.40074 -0.39533 -0.38693 -0.37907 -0.37386 -0.36964 -0.36240 -0.35674 -0.35407 -0.34909 -0.33863 -0.33833 -0.33176 -0.32859 -0.32407 -0.31403 -0.30868 -0.29843 -0.26954 -0.25719 -0.25359 -0.24485 -0.01789 -0.01146 0.00533 0.01338 0.01566 0.02226 0.02500 0.03045 0.03713 0.03871 0.04365 0.04656 0.04701 0.05689 0.05895 0.06132 0.06560 0.06897 0.07172 0.07382 0.07855 0.08494 0.08775 0.09224 0.09497 0.09719 0.09878 0.10188 0.10364 0.10855 0.11007 0.11591 0.11988 0.12443 0.12666 0.12879 0.13370 0.13519 0.13947 0.14123 0.14668 0.14979 0.15089 0.15525 0.15735 0.16349 0.16399 0.16578 0.17033 0.17184 0.17436 0.17790 0.18054 0.18152 0.18689 0.19119 0.19209 0.19264 0.19697 0.19952 0.20514 0.20636 0.21168 0.21334 0.21489 0.21680 0.21854 0.21887 0.22268 0.22354 0.22797 0.22898 0.23068 0.23428 0.23831 0.23889 0.23989 0.24165 0.24877 0.25250 0.25497 0.25831 0.26002 0.26247 0.26569 0.26860 0.27164 0.27259 0.27937 0.28159 0.28227 0.28487 0.28773 0.29234 0.29440 0.29877 0.30103 0.30494 0.30994 0.31425 0.31750 0.32433 0.32476 0.32654 0.33158 0.33561 0.33656 0.34484 0.34770 0.35399 0.36064 0.36644 0.37074 0.37497 0.37791 0.38190 0.38457 0.38861 0.40228 0.40364 0.40776 0.41132 0.41606 0.42416 0.42801 0.43094 0.43753 0.44718 0.46104 0.47103 0.47207 0.48707 0.49437 0.50811 0.52366 0.52666 0.52907 0.53943 0.54306 0.55086 0.55367 0.55481 0.56072 0.56476 0.56979 0.57665 0.58232 0.58557 0.59117 0.59841 0.60114 0.60863 0.61564 0.62053 0.62163 0.63074 0.63409 0.64344 0.64648 0.64966 0.65627 0.66198 0.66900 0.67364 0.67804 0.68053 0.68297 0.68930 0.69210 0.69454 0.69855 0.70564 0.70892 0.71458 0.71525 0.72212 0.72402 0.72720 0.73116 0.73230 0.73406 0.73855 0.74136 0.75161 0.75295 0.75725 0.76496 0.77503 0.77817 0.78547 0.78813 0.78953 0.80252 0.81144 0.81581 0.82118 0.82551 0.83228 0.83661 0.84273 0.85703 0.86216 0.86497 0.87466 0.88013 0.89247 0.92021 0.92578 0.93590 0.94308 0.95483 0.96243 0.96954 0.97518 0.99352 0.99748 1.00916 1.01926 1.02740 1.03401 1.04479 1.05669 1.06860 1.08149 1.08907 1.10993 1.11346 1.12335 1.12884 1.15277 1.15929 1.16527 1.18011 1.19972 1.21558 1.22424 1.24389 1.25205 1.25336 1.28517 1.29241 1.32400 1.32768 1.33293 1.34531 1.37544 1.38822 1.40136 1.42484 1.43844 1.44821 1.46153 1.46711 1.47144 1.47506 1.48122 1.48510 1.49318 1.50088 1.50578 1.50660 1.51379 1.52251 1.52560 1.53183 1.53724 1.54474 1.55400 1.55757 1.56307 1.57454 1.57653 1.57977 1.58577 1.58825 1.59538 1.60694 1.61034 1.61250 1.62122 1.63162 1.64140 1.64766 1.65128 1.65590 1.66701 1.67284 1.67486 1.68380 1.68660 1.70896 1.71158 1.71863 1.72155 1.72568 1.73391 1.73954 1.75147 1.75430 1.75604 1.76378 1.76924 1.78125 1.79268 1.79355 1.79635 1.81044 1.81514 1.82493 1.83465 1.84073 1.84472 1.85322 1.86236 1.87053 1.88244 1.88972 1.90358 1.90539 1.91059 1.91929 1.93098 1.93589 1.94156 1.94518 1.95215 1.95880 1.97128 1.97879 1.98706 1.99380 2.00899 2.02927 2.04223 2.05575 2.05859 2.06505 2.07758 2.08363 2.09733 2.10504 2.12595 2.13021 2.13911 2.15054 2.15867 2.16312 2.16739 2.17817 2.18495 2.20507 2.21991 2.22944 2.25180 2.26443 2.27434 2.28768 2.29943 2.31096 2.32154 2.32950 2.33901 2.36208 2.38452 2.38898 2.39094 2.40226 2.40600 2.41457 2.42521 2.43728 2.46782 2.47798 2.48714 2.49206 2.50822 2.51256 2.52229 2.52554 2.52810 2.54016 2.54282 2.54665 2.56102 2.56794 2.57078 2.58288 2.59284 2.59960 2.61034 2.63378 2.64044 2.65428 2.66182 2.66831 2.67513 2.68597 2.68649 2.69541 2.70458 2.71468 2.72010 2.73263 2.73637 2.74043 2.74775 2.74910 2.76271 2.76960 2.77612 2.78660 2.79167 2.80141 2.82572 2.83234 2.83841 2.84229 2.85846 2.86409 2.88765 2.90088 2.90423 2.91982 2.93474 2.94177 2.94626 2.95774 2.96787 2.98403 2.98838 2.99241 3.01830 3.03579 3.04562 3.05411 3.07441 3.10039 3.10327 3.12241 3.12925 3.14441 3.16462 3.17854 3.18641 3.20303 3.23084 3.24331 3.26626 3.27504 3.28875 3.31107 3.32096 3.34816 3.37187 3.38258 3.39969 3.42707 3.46750 3.54222 3.57359 3.59290 3.64051 3.67534 3.70878 3.73643 3.78770 3.81277 3.81508 3.82047 3.83750 3.84556 3.84990 3.85892 3.86395 3.89810 3.98098 4.04281 4.05465 4.05767 4.08965 4.10758 4.12909 4.17360 4.18063 4.19105 4.23468 4.30364 4.31291 4.32447 4.33316 4.39713 4.44323 4.48419 4.85834 5.20835 5.25390 5.44905 5.51778 5.65830 5.75873 23.59333 23.78092 23.83258 23.85306 23.88966 23.92423 23.93648 23.95663 23.97502 23.97945 23.98716 23.99941 24.01015 24.02412 24.04104 24.08661 24.09924 24.19206 49.99785 50.02821 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 O O C C C C C C C C C C C C C C C C C C H H H H H H H H H H H H H H H H H H H H H H H H H H -0.100366 -0.029901 -0.052463 0.051041 -0.275111 -0.629737 -0.329356 -0.631683 0.538652 -0.105998 -0.636100 -0.600013 -0.812249 0.383966 0.750911 -0.155153 -0.380242 -0.690592 -0.375577 -0.108066 0.157806 0.166753 0.182446 0.166031 0.165012 0.160603 0.161577 0.147583 0.170803 0.160754 0.167299 0.148228 0.150919 0.163172 0.150747 0.154925 0.153582 0.169183 0.164849 0.148186 0.148547 0.185515 0.159480 0.172493 0.155742 0.155800 -0.00000 -1.4853 -0.2703 -3.5706 3.8767 -117.2674 -116.0078 -125.1903 0.9316 4.8481 4.4447 2.2211 3.4807 -5.7018 0.9316 4.8481 4.4447 -0.2261 -12.7431 -6.7837 -3.3427 -9.4622 10.6900 -7.3884 -5.7557 2.1804 13.9575 -6517.4268 -1886.1855 -696.3917 -58.9480 105.5958 8.3453 23.5334 4.7643 4.4636 -1405.8083 -1303.4025 -422.2906 76.2631 -11.8263 12.3537 (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A) (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(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-BELVIS16 APULGAR 2022-11-18T00:00:00.000 0 Electronic spectrum cinmethylin CONF104 octanol 0 1 Version=EM64L-G16RevC.01 State=1-A HF=-852.3170034 RMSD=4.068e-09 PG=C01 [X(C18H26O2)] 0 2.109476437 -0.1269985318 -1.1144732026 0 -0.2585091635 -0.8778678279 0.4883406221 0 2.5184909323 0.9580659658 -0.2345804173 0 2.0646711944 -1.1881134958 -0.1260619433 0 1.0768565731 -0.6069554245 0.9134382668 0 1.4266028925 0.9051709816 0.8631517849 0 3.8268983721 0.3888920698 0.3644465039 0 3.4869001885 -1.1199119491 0.4839779513 0 2.661683035 2.2589865039 -1.0234106987 0 1.6829738038 -2.5043291579 -0.7575912884 0 1.3929532762 2.6335554376 -1.8004475931 0 3.1016999382 3.4093232965 -0.1072583501 0 -1.2558368582 -0.506132113 1.4467618424 0 -2.6164147095 -0.7132777471 0.8349072894 0 -3.0728869417 0.1221065421 -0.2063976593 0 -3.4279119225 -1.7537359871 1.2937065613 0 -4.3389487002 -0.1203561211 -0.7489131377 0 -2.22356908 1.2529001203 -0.7313799215 0 -4.6902549036 -1.9815447771 0.7452712583 0 -5.1453142064 -1.1596795256 -0.282378081 0 1.2331695715 -1.0514031613 1.9034401712 0 0.5456034058 1.4700732466 0.5611243401 0 1.7785706823 1.2969046452 1.8180331191 0 4.079239654 0.8508362847 1.3199169989 0 4.6560398464 0.5569773932 -0.3268122939 0 4.1677105631 -1.7314966061 -0.1111404947 0 3.5101030323 -1.4909754806 1.5108845319 0 3.4605732459 2.0798627537 -1.7540663352 0 0.7015735134 -2.4436344001 -1.2296180938 0 2.4240947246 -2.7871979952 -1.5098141407 0 1.6503033397 -3.2874853385 0.0053592771 0 0.5663854981 2.8852343698 -1.1294315834 0 1.5847733593 3.5099746465 -2.4273874181 0 1.0658243609 1.818643725 -2.4495953659 0 4.0370349339 3.1846572593 0.4126012859 0 2.3383008341 3.6251029093 0.6475657498 0 3.2566006633 4.3212964996 -0.6912816001 0 -1.1245799702 0.5433170644 1.740993086 0 -1.1431581591 -1.1191352292 2.3504193187 0 -3.0637990183 -2.3941162931 2.0910892618 0 -4.6996275808 0.517119371 -1.5502083716 0 -1.2849647102 0.8789694542 -1.1458989549 0 -2.7490830669 1.8092032583 -1.5101930108 0 -1.9626366815 1.9558763923 0.0666201865 0 -5.3066444161 -2.7938485064 1.114843202 0 -6.1234500496 -1.3236831574 -0.7222069062 Gaussian 16 18-Nov-2022 Gaussian 16 3-Jul-2019 EM64L-G16RevC.01 132 C1[X(C18H26O2)] 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 0 248.19139999999987 AuxInfo=1/0/N:3;4;5;6;7;8;9;10;11;12;13;14;15;16;17;18;19;20;1;2;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/rA:46nO0O0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:2.1095,-.127,-1.1145;-.2585,-.8779,.4883;2.5185,.9581,-.2346;2.0647,-1.1881,-.1261;1.0769,-.607,.9134;1.4266,.9052,.8632;3.8269,.3889,.3644;3.4869,-1.1199,.484;2.6617,2.259,-1.0234;1.683,-2.5043,-.7576;1.393,2.6336,-1.8004;3.1017,3.4093,-.1073;-1.2558,-.5061,1.4468;-2.6164,-.7133,.8349;-3.0729,.1221,-.2064;-3.4279,-1.7537,1.2937;-4.3389,-.1204,-.7489;-2.2236,1.2529,-.7314;-4.6903,-1.9815,.7453;-5.1453,-1.1597,-.2824;1.2332,-1.0514,1.9034;.5456,1.4701,.5611;1.7786,1.2969,1.818;4.0792,.8508,1.3199;4.656,.557,-.3268;4.1677,-1.7315,-.1111;3.5101,-1.491,1.5109;3.4606,2.0799,-1.7541;.7016,-2.4436,-1.2296;2.4241,-2.7872,-1.5098;1.6503,-3.2875,.0054;.5664,2.8852,-1.1294;1.5848,3.51,-2.4274;1.0658,1.8186,-2.4496;4.037,3.1847,.4126;2.3383,3.6251,.6476;3.2566,4.3213,-.6913;-1.1246,.5433,1.741;-1.1432,-1.1191,2.3504;-3.0638,-2.3941,2.0911;-4.6996,.5171,-1.5502;-1.285,.879,-1.1459;-2.7491,1.8092,-1.5102;-1.9626,1.9559,.0666;-5.3066,-2.7938,1.1148;-6.1235,-1.3237,-.7222; oldchk=/home/apulgar/almacen/pesticidas/gaussian_results/30_herbicides/cinmethy #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 cinmethylin CONF104 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 16 16 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 15.9949146 15.9949146 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5.6000000 5.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 (Enter /usr/local/gaussian/gaussian16/g16/l101.exe) 6-311+G(3df,2p) (5D, 7F) 0.10000e-02 0.10000e-05 F 1134 A 1014 A 1014 1446 1134 75 75 1650.6203918807 46 46 46 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 -0.0510705988 PCM SMD-Coulomb. Total charges None On-the-fly selection n-Octanol 9.862900 2.043470 0.000000 2.956378 0.000000 1.455634 3.406611 0.000000 1.450837 2.422996 2.196318 0.000000 2.325744 1.427341 2.417757 1.547282 0.000000 2.332958 2.481796 1.549204 2.401565 1.552861 0.000000 2.324411 4.279087 1.547489 2.415158 2.975875 2.505328 0.000000 2.331999 3.753225 2.402527 1.549043 2.501174 2.913685 1.551250 0.000000 2.450745 4.544532 1.528120 3.611669 3.804824 2.630087 2.604060 3.790799 0.000000 2.441510 2.822601 3.599974 1.508955 2.599951 3.783811 3.771752 2.590802 4.870083 0.000000 2.933364 4.505105 2.554612 4.226101 4.238632 3.175407 3.955928 4.867415 1.534198 5.250668 0.000000 3.808485 5.479576 2.522896 4.712983 4.612191 3.165190 3.141882 4.583875 1.535000 6.116126 2.527552 0.000000 4.246057 1.432278 4.383644 3.736930 2.395007 3.086723 5.273203 4.878241 5.393941 4.181934 5.236229 6.060850 0.000000 5.145664 2.388915 5.504948 4.802239 3.695636 4.355016 6.553808 6.126904 6.336088 4.922262 5.849908 7.111986 1.506137 0.000000 5.267214 3.066485 5.653594 5.302606 4.359580 4.690686 6.928497 6.711932 6.174063 5.460787 5.365827 6.995795 2.535605 1.410868 0.000000 6.253661 3.385391 6.711873 5.701240 4.663974 5.551709 7.621460 6.990853 7.652068 5.558090 7.215460 8.441310 2.509552 1.396989 2.427991 0.000000 6.458782 4.330659 6.960748 6.521840 5.686048 6.073882 8.257116 7.985176 7.399018 6.476647 6.445499 8.260364 3.804654 2.413952 1.398579 2.769515 0.000000 4.563569 3.144734 4.777119 4.971314 4.130048 3.998400 6.209308 6.302126 4.996317 5.420197 4.016012 5.779116 2.962263 2.544295 1.508523 3.819853 2.522097 0.000000 7.289330 4.574329 7.846492 6.856951 5.931050 6.764834 8.849062 8.226576 8.669564 6.568862 8.048929 9.513297 3.803177 2.432560 2.819025 1.395058 2.412473 4.327432 0.000000 7.375012 4.955228 7.951166 7.211736 6.360101 6.983261 9.127818 8.666257 8.554859 6.975631 7.709871 9.429724 4.306400 2.800524 2.437971 2.405497 1.395734 3.815591 1.392338 0.000000 3.275704 2.063426 3.203303 2.197490 1.096390 2.224365 3.342212 2.664370 4.643898 3.065030 5.227163 5.237594 2.588635 4.009413 4.936665 4.752970 6.241020 4.919465 6.106838 6.743484 0.000000 2.793558 2.482886 2.188055 3.137794 2.172649 1.089264 3.460424 3.919847 2.758791 4.339182 2.765631 3.277355 2.816901 3.852316 3.936950 5.168989 5.301369 3.063666 6.273897 6.325634 2.938095 0.000000 3.276674 3.263037 2.208057 3.168071 2.221571 1.090475 2.670777 3.246397 3.127186 4.592642 3.876692 3.149560 3.549143 4.931862 5.386568 6.057127 6.783943 4.745373 7.331081 7.641120 2.412324 1.769185 0.000000 3.280607 4.742995 2.205424 3.210398 3.362244 2.692224 1.090868 2.221150 3.079535 4.616846 4.486747 3.088409 5.506405 6.893002 7.349394 7.946182 8.722911 6.640397 9.233452 9.576112 3.472626 3.666852 2.395866 0.000000 2.751948 5.184211 2.176808 3.130628 3.962766 3.459265 1.092505 2.199142 2.712848 4.289090 4.139023 3.255772 6.263071 7.473402 7.742088 8.562462 9.030325 6.926543 9.744059 9.950650 4.390553 4.303239 3.664380 1.769398 0.000000 2.795965 4.547470 3.157358 2.172156 3.444958 3.926186 2.199633 1.091652 4.361687 2.681247 5.441205 5.250183 5.774378 6.925037 7.474702 7.724479 8.681347 7.080945 8.902781 9.332134 3.623892 4.880743 4.312878 2.953675 2.349913 0.000000 3.273330 3.952712 3.166662 2.204675 2.656901 3.240686 2.224541 1.092137 4.604854 3.084035 5.697280 5.176689 4.867054 6.212566 6.991913 6.946385 8.282083 6.740297 8.250618 8.845439 2.351967 4.296290 3.296183 2.417533 2.980673 1.766710 0.000000 2.665479 5.254344 2.110636 3.908786 4.474000 3.516641 2.735265 3.904881 1.097346 5.016736 2.140976 2.146679 6.259169 7.171764 6.993868 8.452019 8.166017 5.834315 9.443396 9.312454 5.305045 3.772135 4.025177 3.367882 2.405281 4.210191 4.838723 0.000000 2.713347 2.514909 3.982820 2.156897 2.847265 4.014953 4.509091 3.527988 5.098940 1.090706 5.155745 6.424750 3.840362 4.273809 4.677238 4.888331 5.570957 4.740155 5.760688 6.060685 3.469432 4.306761 4.943656 5.363049 5.045447 3.711097 4.038038 5.324392 0.000000 2.707756 3.851562 3.957541 2.145000 3.527132 4.501061 3.945663 2.807954 5.075137 1.093213 5.525603 6.389303 5.242757 5.933431 6.354507 6.570674 7.309567 6.207184 7.506561 7.839092 4.010186 5.093317 5.307651 4.897160 4.191012 2.472042 3.461824 4.982191 1.778658 0.000000 3.384308 3.111767 4.340049 2.143906 2.887679 4.285349 4.287454 2.881065 5.731021 1.093844 6.195635 6.853210 4.273081 5.051691 5.829124 5.458983 6.816948 6.013715 6.515798 7.126764 2.962562 4.915649 4.931417 4.975289 4.891286 2.961758 2.992141 5.931364 1.771254 1.773356 0.000000 3.384509 4.178346 2.885386 4.454635 4.077902 2.937859 4.369707 5.212839 2.189452 5.516560 1.093992 2.783402 4.632346 5.190196 4.661670 6.583772 5.765472 3.256809 7.404885 7.049989 5.013983 2.204788 3.560861 4.741121 4.773914 5.943119 5.898131 3.068406 5.331525 5.980992 6.369073 0.000000 3.902132 5.581427 3.491772 5.253421 5.326181 4.199722 4.750012 5.790508 2.166992 6.242573 1.094513 2.773841 6.261566 6.791790 6.172864 8.165795 7.147521 4.740707 8.921801 8.467633 6.299671 3.764608 4.791538 5.228352 4.750293 6.285665 6.650292 2.452999 6.136787 6.418784 7.219973 1.764116 0.000000 2.580171 4.201964 2.785162 3.929006 4.146522 3.455269 4.193632 4.806513 2.185102 4.683145 1.092011 3.487348 5.096694 5.545942 5.003909 6.853311 5.988624 3.753990 7.601385 7.221183 5.216713 3.075153 4.358081 4.922047 4.357483 5.262468 5.710821 2.507353 4.448375 4.893043 5.695698 1.769149 1.769294 0.000000 4.124864 5.912829 2.771738 4.827163 4.836302 3.494769 2.804065 4.340168 2.193306 6.267019 3.491771 1.093426 6.534976 7.722735 7.766168 8.993859 9.079060 6.650980 10.147211 10.181935 5.294192 3.892551 3.261826 2.504341 2.799036 4.945700 4.831710 2.499465 6.745358 6.477678 6.910207 3.809584 3.766292 4.345832 0.000000 4.151555 5.200531 2.814913 4.882666 4.424053 2.876752 3.573393 4.884793 2.182433 6.322488 2.805284 1.095034 5.533863 6.588312 6.502399 7.911929 7.782305 5.323485 8.991365 8.931038 4.966714 2.804530 2.665295 3.343573 3.966702 5.711001 5.319088 3.068403 6.559898 6.766037 6.976363 2.616259 3.168027 3.804589 1.770564 0.000000 4.613276 6.385829 3.473428 5.665136 5.622640 4.175532 4.111400 5.571447 2.171948 7.004989 2.748072 1.093971 6.945314 7.884700 7.611223 9.248184 8.799089 6.280838 10.244121 10.039944 6.300219 4.128862 4.198593 4.094600 4.032538 6.148414 6.220635 2.489004 7.251363 7.203732 7.807628 3.080829 2.543091 3.762239 1.766234 1.766486 0.000000 4.366020 2.083023 4.164958 4.081062 2.618071 2.722146 5.141582 5.060846 4.992118 4.838743 4.821708 5.430605 1.097790 2.150719 2.786691 3.283574 4.119740 2.797126 4.481119 4.812539 2.851053 2.245101 3.000352 5.229877 6.139346 6.050910 5.066713 5.966577 4.591432 5.852621 5.038596 4.072257 5.789391 4.897485 5.948409 4.762828 6.275654 0.000000 4.854838 2.075609 4.940108 4.053133 2.693642 3.593529 5.560548 4.992098 6.105019 4.423292 6.143634 6.675772 1.097755 2.152204 3.435382 2.596047 4.562510 4.036251 3.987749 4.790670 2.418948 3.571763 3.828470 5.675928 6.603607 5.885541 4.742987 6.948002 4.239576 5.514447 4.243168 5.573767 7.190112 6.045684 7.008007 6.126015 7.629425 1.770732 0.000000 6.494477 3.568958 6.914320 5.715891 4.661098 5.705860 7.629426 6.864260 8.008284 5.537055 7.764289 8.747915 2.692280 2.145545 3.407331 1.085580 3.855075 4.687542 2.151000 3.389674 4.505777 5.504593 6.094813 7.883364 8.611104 7.588387 6.660968 8.795973 5.020715 6.575561 5.231743 7.170881 8.768361 7.444391 9.184872 8.215683 9.632539 3.537181 2.319847 0.000000 6.853368 5.081850 7.350275 7.119814 6.379723 6.595877 8.739793 8.592847 7.582909 7.105983 6.454569 8.444386 4.678522 3.397415 2.146660 3.855113 1.085605 2.709745 3.393028 2.148880 7.041735 5.733960 7.343035 9.242159 9.435401 9.260501 8.989016 8.310993 6.167805 7.852870 7.564154 5.789293 7.015720 5.978570 9.343321 8.001388 8.860648 4.859389 5.526364 4.940676 0.000000 3.540507 2.609756 3.911909 4.066074 3.468003 3.374844 5.352800 5.424271 4.182760 4.517317 3.267759 5.169554 2.939599 2.869077 2.156889 4.180315 3.237757 1.092075 4.832708 4.450175 4.400660 2.571830 4.283084 5.903874 6.005840 6.133264 5.972254 4.932762 3.872085 5.227843 5.224992 2.729994 4.098756 2.847599 6.005731 4.887312 5.716827 2.910761 4.029488 4.935123 3.457503 0.000000 5.245100 4.173421 5.486252 5.837119 5.133189 4.887371 6.983916 7.172442 5.451206 6.230257 4.233234 6.225775 4.041552 3.446739 2.156624 4.584452 2.613507 1.091874 4.819236 4.007957 5.974470 3.906446 5.642622 7.453454 7.602914 7.895311 7.693861 6.220335 5.483829 6.920164 6.901285 3.506445 4.745122 3.928878 7.186126 5.816777 6.561209 3.848596 5.104752 5.544022 2.340023 1.772481 0.000000 4.723924 3.333467 4.600745 5.112828 4.064939 3.636673 6.005236 6.271532 4.760712 5.819212 3.899381 5.271646 2.909612 2.853432 2.160997 4.173008 3.259248 1.095019 4.837743 4.467429 4.757186 2.602270 4.183100 6.268663 6.776325 7.156080 6.627033 5.722017 5.304144 6.650211 6.367883 2.947914 4.606453 3.939765 6.133976 4.649933 5.780144 2.345461 3.917012 4.922750 3.489309 1.757604 1.768149 0.000000 8.190286 5.435730 8.782400 7.645556 6.750715 7.686528 9.701265 8.973655 9.674581 7.241864 9.101662 10.520130 4.663996 3.412400 3.903607 2.154869 3.399645 5.412030 1.084600 2.156099 6.813748 7.261986 8.211517 10.070780 10.609500 9.612233 8.921287 10.433015 6.458934 8.164141 7.062135 8.472381 9.988855 8.636473 11.114856 9.993321 11.279031 5.386873 4.654668 2.478547 4.293423 5.896987 5.883878 5.902630 0.000000 8.328686 6.005140 8.951386 8.210913 7.418453 8.030221 10.154958 9.687891 9.492355 7.895279 8.562632 10.386670 5.391333 3.885421 3.415011 3.393343 2.152476 4.674178 2.154141 1.084941 7.815882 7.343588 8.704150 10.629849 10.949458 10.317350 9.890401 10.222640 6.934890 8.707624 8.050908 7.914210 9.256814 8.033913 11.173557 9.897878 10.947699 5.877223 5.855440 4.292077 2.470103 5.333117 4.671429 5.356317 2.490645 0.000000 C18H26O2 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 0 248.19139999999987 AuxInfo=1/0/N:3;4;5;6;7;8;9;10;11;12;13;14;15;16;17;18;19;20;1;2;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/rA:46nO0O0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:-2.0136,-.3859,1.1426;.5826,-.8877,-.1795;-2.6411,.2035,-.0312;-1.602,-1.6431,.5468;-.7398,-1.1589,-.6432;-1.4987,.1253,-1.0747;-3.6912,-.875,-.3902;-2.9374,-2.1807,-.0251;-3.1987,1.587,.3004;-.9179,-2.5274,1.5603;-2.1458,2.5337,.8912;-3.8713,2.2152,-.9281;1.5061,-.5649,-1.2257;2.821,-.1702,-.6061;2.9482,1.0431,.1025;3.9216,-1.0228,-.7219;4.1875,1.357,.6695;1.7813,1.9874,.2526;5.1528,-.6949,-.1539;5.2835,.5015,.5462;-.692,-1.9161,-1.4347;-.8345,.9842,-.9873;-1.8732,.08,-2.0978;-3.9899,-.8284,-1.4383;-4.5837,-.7445,.2263;-3.464,-2.7435,.748;-2.7798,-2.8448,-.8777;-3.9686,1.4243,1.0652;-.0301,-2.0429,1.9687;-1.6053,-2.7607,2.3777;-.6119,-3.4659,1.089;-1.3739,2.7887,.159;-2.6199,3.4683,1.2068;-1.6545,2.0931,1.7613;-4.6658,1.5805,-1.33;-3.1437,2.3934,-1.7268;-4.3167,3.1792,-.6652;1.1108,.2554,-1.8389;1.6361,-1.4351,-1.8821;3.8104,-1.9567,-1.264;4.2959,2.2885,1.2164;.9554,1.5092,.7834;2.0718,2.8857,.8011;1.3957,2.299,-.7237;5.9965,-1.369,-.2547;6.2329,.7716,.9964; 0.6464763 0.1936814 0.1667626 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= 1014 RedAO= T EigKep= 1.16D-06 NBF= 1014 NBsUse= 1011 1.00D-06 EigRej= 8.67D-07 NBFU= 1011 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= 1128 1128 1128 1128 1128 MxSgAt= 46 MxSgA2= 46. 1 Closed 1 1 1 -852.323587046003 -852.370973205493 -0.047386159490 -852.370976497193 -0.000003291700 -852.371168448417 -0.000191951224 -852.371176790378 -0.000008341961 -852.371177816422 -0.000001026044 -852.371177904432 -0.000000088010 -852.371177915980 -0.000000011549 -852.371177915992 -0.000000000011 -852.371177916064 -0.000000000072 -852.371177916217 -0.000000000153 -852.371177916 11 8.481802974198e+02 -5.283950365598e+03 1.932832931317e+03 Using DIIS extrapolation, IDIIS= 1040. NGot= 4246732800 LenX= 4244122894 LenY= 4242835804 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. PT35768.700S 2022-11-18T19:13:14.000 -19.12413 -19.11743 -10.21941 -10.21682 -10.21482 -10.21303 -10.18167 -10.17680 -10.17087 -10.17066 -10.16873 -10.16827 -10.16774 -10.15913 -10.15733 -10.15681 -10.15453 -10.15081 -10.15079 -10.14601 -1.04686 -1.02442 -0.85980 -0.80798 -0.79571 -0.77322 -0.76228 -0.74882 -0.73588 -0.68981 -0.67753 -0.67205 -0.66213 -0.60401 -0.59664 -0.59509 -0.57128 -0.55334 -0.53830 -0.50489 -0.49679 -0.48752 -0.47959 -0.47383 -0.45351 -0.44272 -0.44056 -0.43118 -0.42461 -0.41413 -0.41138 -0.40881 -0.40507 -0.40025 -0.39459 -0.38643 -0.37851 -0.37340 -0.36903 -0.36164 -0.35667 -0.35336 -0.34853 -0.33787 -0.33735 -0.33104 -0.32810 -0.32344 -0.31326 -0.30805 -0.29741 -0.26926 -0.25701 -0.25344 -0.24473 -0.01817 -0.01194 0.00425 0.01203 0.01449 0.02068 0.02374 0.02900 0.03597 0.03798 0.04246 0.04523 0.04568 0.05567 0.05762 0.06006 0.06465 0.06757 0.07039 0.07178 0.07693 0.08372 0.08604 0.09094 0.09340 0.09636 0.09708 0.10046 0.10221 0.10706 0.10834 0.11436 0.11815 0.12323 0.12501 0.12714 0.13297 0.13438 0.13785 0.13943 0.14439 0.14764 0.14875 0.15357 0.15577 0.16026 0.16100 0.16383 0.16885 0.16937 0.17083 0.17443 0.17618 0.17726 0.18224 0.18505 0.18729 0.19267 0.19322 0.19586 0.19945 0.20105 0.20637 0.20953 0.21024 0.21060 0.21187 0.21428 0.21528 0.21809 0.22034 0.22307 0.22570 0.22906 0.23000 0.23377 0.23546 0.23709 0.24268 0.24540 0.24847 0.24991 0.25424 0.25630 0.25708 0.25977 0.26359 0.26772 0.27324 0.27447 0.27771 0.27920 0.28082 0.28506 0.28885 0.29137 0.29498 0.29853 0.30139 0.30327 0.30591 0.31064 0.31417 0.32101 0.32319 0.32445 0.32575 0.33099 0.33641 0.34083 0.34288 0.34672 0.34794 0.35040 0.35363 0.35756 0.35994 0.36422 0.36669 0.36953 0.37787 0.38017 0.38374 0.38654 0.39132 0.39441 0.39894 0.40203 0.41241 0.41579 0.41794 0.42255 0.42537 0.42613 0.43768 0.43934 0.44256 0.44864 0.45423 0.45640 0.45730 0.46360 0.46658 0.47257 0.47601 0.48099 0.48386 0.48573 0.49033 0.49328 0.49622 0.50441 0.51088 0.51391 0.51683 0.51989 0.52666 0.53035 0.53505 0.53902 0.54587 0.55022 0.55143 0.55389 0.55507 0.56489 0.56607 0.56886 0.57163 0.57673 0.57810 0.58300 0.58511 0.59126 0.59314 0.59582 0.60031 0.60157 0.60669 0.60774 0.61106 0.61437 0.61664 0.62213 0.62306 0.62498 0.63047 0.63472 0.63946 0.64264 0.64392 0.64886 0.65541 0.65922 0.66261 0.66500 0.66837 0.66918 0.67307 0.67785 0.68620 0.69034 0.69314 0.69539 0.69936 0.70425 0.70796 0.71808 0.71885 0.72336 0.73697 0.73960 0.74026 0.74550 0.74785 0.75303 0.75407 0.75946 0.76892 0.77251 0.77726 0.77999 0.78491 0.79378 0.79418 0.80286 0.80489 0.81470 0.82234 0.82321 0.82726 0.83134 0.83448 0.84107 0.84285 0.84946 0.85382 0.85786 0.85940 0.87233 0.87518 0.88606 0.88866 0.89584 0.89879 0.89989 0.91078 0.91830 0.92108 0.92813 0.93864 0.94182 0.94360 0.95185 0.95667 0.96443 0.96882 0.97281 0.98636 0.99404 0.99915 1.00410 1.01268 1.01606 1.01711 1.02935 1.02966 1.03686 1.04249 1.04983 1.05606 1.06484 1.07456 1.08126 1.08204 1.08812 1.09126 1.10050 1.10453 1.10554 1.11263 1.11865 1.12304 1.12529 1.13383 1.13645 1.13774 1.14201 1.14846 1.15515 1.15821 1.16181 1.16733 1.16958 1.17869 1.18402 1.18627 1.19168 1.19407 1.19835 1.20217 1.20755 1.21251 1.21951 1.22387 1.22835 1.22837 1.22973 1.23372 1.24092 1.24640 1.25102 1.25848 1.26332 1.26730 1.27392 1.27642 1.28293 1.28910 1.29239 1.29504 1.30188 1.30830 1.31414 1.31581 1.32221 1.32638 1.33007 1.33725 1.34154 1.34427 1.35450 1.35983 1.36501 1.37013 1.37837 1.38109 1.38485 1.39037 1.39801 1.40138 1.40350 1.41118 1.41372 1.42154 1.42269 1.42838 1.43358 1.43704 1.44220 1.44467 1.45127 1.45262 1.45793 1.46030 1.46879 1.47622 1.47950 1.48254 1.48774 1.49059 1.50009 1.50140 1.50339 1.51032 1.51434 1.52535 1.52970 1.53232 1.53622 1.53906 1.54512 1.55224 1.55375 1.56336 1.57230 1.57306 1.57861 1.58168 1.59301 1.59673 1.60020 1.60366 1.60993 1.62352 1.62846 1.63376 1.63482 1.64561 1.64734 1.65906 1.66137 1.67057 1.67676 1.68222 1.68498 1.70066 1.70960 1.72385 1.72771 1.73296 1.73806 1.75397 1.75617 1.76024 1.76644 1.77294 1.77835 1.78524 1.79128 1.80362 1.81343 1.81916 1.82939 1.83447 1.84882 1.86368 1.86907 1.87633 1.88636 1.88855 1.90002 1.90797 1.92170 1.93512 1.93552 1.95186 1.96183 1.97318 1.97485 1.98634 1.99198 1.99887 2.00513 2.01951 2.02653 2.02951 2.03458 2.04347 2.05402 2.05947 2.06379 2.07379 2.08201 2.08841 2.09334 2.09823 2.10432 2.11783 2.12009 2.12564 2.13408 2.13710 2.15990 2.16679 2.17441 2.18489 2.18986 2.19343 2.20069 2.20979 2.21467 2.23459 2.24956 2.25942 2.27330 2.27502 2.29298 2.30469 2.32068 2.32707 2.33741 2.34774 2.36707 2.37933 2.38185 2.40067 2.40810 2.41616 2.42134 2.43206 2.44679 2.45761 2.46867 2.47378 2.48695 2.49959 2.50434 2.51978 2.52712 2.53072 2.53540 2.55388 2.55910 2.58781 2.60627 2.63443 2.63908 2.65824 2.66668 2.70454 2.73323 2.74306 2.75616 2.77035 2.77703 2.78658 2.79756 2.79956 2.81038 2.81951 2.82504 2.83456 2.84440 2.85821 2.86588 2.86934 2.87852 2.88351 2.88543 2.89339 2.90104 2.90139 2.90658 2.91593 2.92246 2.92350 2.93636 2.94467 2.94975 2.95942 2.97276 2.97997 2.98357 2.98956 2.99996 3.00853 3.01164 3.01614 3.02426 3.02964 3.03898 3.04577 3.05575 3.06646 3.06988 3.08277 3.09696 3.09890 3.11150 3.11415 3.11865 3.12683 3.14010 3.15146 3.15680 3.16424 3.17072 3.17623 3.18285 3.18987 3.19838 3.21441 3.21785 3.22504 3.23365 3.23774 3.24319 3.24796 3.25654 3.26908 3.26994 3.28089 3.28735 3.28842 3.29990 3.30358 3.30549 3.31104 3.31360 3.32198 3.32709 3.33388 3.33754 3.34657 3.35849 3.36500 3.37119 3.37599 3.38001 3.38264 3.39102 3.39953 3.40831 3.41796 3.42378 3.42618 3.44220 3.45315 3.46377 3.46494 3.47056 3.47900 3.48251 3.48921 3.49896 3.50450 3.51468 3.51931 3.53434 3.53485 3.54299 3.55345 3.56301 3.57069 3.57703 3.58733 3.59358 3.60750 3.61476 3.62396 3.64229 3.64518 3.65002 3.67229 3.69202 3.70590 3.70905 3.71961 3.72293 3.73504 3.73865 3.75130 3.77816 3.78320 3.78652 3.78961 3.80945 3.81149 3.81824 3.83418 3.84257 3.84836 3.85722 3.86934 3.89318 3.91481 3.92261 3.93349 3.93798 3.94297 3.95986 3.96641 3.97190 3.98070 3.99157 4.00434 4.03858 4.05864 4.05993 4.06572 4.07362 4.07973 4.08172 4.10781 4.11874 4.12273 4.13274 4.14387 4.15418 4.17138 4.18786 4.19503 4.20338 4.21273 4.23186 4.24669 4.27880 4.30071 4.30161 4.31155 4.31690 4.32030 4.32341 4.32854 4.33526 4.34253 4.35691 4.36388 4.36823 4.37712 4.37869 4.38694 4.39212 4.39579 4.40095 4.40853 4.41366 4.42105 4.43259 4.44373 4.44662 4.44927 4.46367 4.46487 4.47583 4.48158 4.48339 4.49218 4.50545 4.50843 4.51318 4.52473 4.53552 4.54483 4.55153 4.55502 4.56454 4.57446 4.57886 4.59217 4.59288 4.59823 4.61640 4.61960 4.63344 4.64774 4.65841 4.67250 4.67546 4.68106 4.69260 4.70112 4.70446 4.72356 4.72410 4.73692 4.74796 4.75527 4.77149 4.77873 4.78473 4.80399 4.80866 4.81837 4.84387 4.84769 4.85206 4.86380 4.87908 4.89556 4.90478 4.91927 4.92180 4.94244 4.97090 4.99425 5.01171 5.02181 5.03710 5.09539 5.12750 5.20180 5.23371 5.30372 5.31960 5.34160 5.34431 5.36801 5.40318 5.45669 5.47430 5.49187 5.51398 5.53791 5.57066 5.59516 5.61909 5.65299 5.67396 5.69380 5.73499 5.75801 5.77361 5.78195 5.79151 5.80542 5.80828 5.81523 5.82303 5.83064 5.83913 5.84161 5.85389 5.86170 5.86716 5.87991 5.89363 5.91397 5.92342 5.94744 5.94991 5.95447 5.97965 6.00554 6.01642 6.05808 6.11115 6.18674 6.21183 6.27828 6.48010 6.53250 6.58324 6.61841 6.73642 7.09694 7.12617 7.14633 7.17702 7.19234 7.19662 7.21939 7.26286 7.26969 7.28609 7.31051 7.31399 7.31707 7.32135 7.32982 7.33920 7.34377 7.34859 7.36027 7.39239 7.41059 7.44456 7.45804 7.46368 7.47271 7.48963 7.49706 7.52302 7.52851 7.54412 7.56198 7.56758 7.58585 7.60072 7.61286 7.63189 7.63787 7.66510 7.69373 7.70081 7.71822 7.75279 7.76680 7.77651 7.79050 7.83058 7.83779 7.87876 7.89235 7.90386 7.91445 7.94265 7.94790 7.96724 7.96958 7.98356 7.99431 8.00507 8.04112 8.05930 8.09982 8.11759 8.12477 8.16264 8.17034 8.18904 8.21393 8.24390 8.25829 8.28949 8.30967 8.34157 8.37689 8.41411 8.42165 8.44189 8.45211 8.50264 8.51672 8.55196 8.59701 8.60953 8.69008 8.70600 8.77805 8.84564 8.90283 9.04949 9.17683 9.40170 14.53603 14.54193 14.57676 14.61437 14.65555 14.67992 14.94550 15.00329 15.17719 15.22825 23.98845 24.24426 24.36964 24.41745 24.43349 24.44525 24.45883 24.47529 24.48031 24.54481 24.55004 24.57405 24.74685 24.96369 24.98291 25.35601 25.40237 25.77762 50.32805 50.38171 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 O O C C C C C C C C C C C C C C C C C C H H H H H H H H H H H H H H H H H H H H H H H H H H -0.885375 -0.532940 0.271174 0.359787 0.314942 -0.557062 -0.143096 -0.142254 0.085224 -0.477838 -0.626899 -0.446784 -0.138541 0.464869 0.587251 -0.386211 -0.558097 -0.704464 -0.294757 -0.295212 0.135971 0.178396 0.164810 0.168321 0.138655 0.135494 0.152888 0.110103 0.167893 0.154125 0.161991 0.176665 0.147426 0.172803 0.158365 0.163139 0.147304 0.178658 0.134404 0.144217 0.140296 0.241399 0.140747 0.190943 0.151314 0.149955 -0.00000 -1.4715 -0.2563 -3.4059 3.7190 -117.5602 -116.2423 -124.9918 0.9377 4.6067 4.2685 2.0379 3.3558 -5.3937 0.9377 4.6067 4.2685 -2.0954 -12.8764 -6.2610 -3.1331 -9.1509 10.8109 -7.4085 -5.5089 2.0360 13.2908 -6533.8731 -1888.9950 -696.3652 -56.6111 99.6939 8.8962 22.7269 3.5440 4.4056 -1408.3198 -1301.5737 -423.4029 74.0420 -12.0269 12.3336 (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A) (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(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-BELVIS16 APULGAR 2022-11-18T00:00:00.000 0 Single Point cinmethylin CONF104octanol 0 1 Version=EM64L-G16RevC.01 State=1-A HF=-852.3711779 RMSD=1.756e-09 Dipole=0.5574457,0.5001496,1.2569625 Quadrupole=1.8149789,0.1623402,-1.977319,0.6147633,4.3372416,-3.4326568 PG=C01 [X(C18H26O2)] 0 2.109476437 -0.1269985318 -1.1144732026 0 -0.2585091635 -0.8778678279 0.4883406221 0 2.5184909323 0.9580659658 -0.2345804173 0 2.0646711944 -1.1881134958 -0.1260619433 0 1.0768565731 -0.6069554245 0.9134382668 0 1.4266028925 0.9051709816 0.8631517849 0 3.8268983721 0.3888920698 0.3644465039 0 3.4869001885 -1.1199119491 0.4839779513 0 2.661683035 2.2589865039 -1.0234106987 0 1.6829738038 -2.5043291579 -0.7575912884 0 1.3929532762 2.6335554376 -1.8004475931 0 3.1016999382 3.4093232965 -0.1072583501 0 -1.2558368582 -0.506132113 1.4467618424 0 -2.6164147095 -0.7132777471 0.8349072894 0 -3.0728869417 0.1221065421 -0.2063976593 0 -3.4279119225 -1.7537359871 1.2937065613 0 -4.3389487002 -0.1203561211 -0.7489131377 0 -2.22356908 1.2529001203 -0.7313799215 0 -4.6902549036 -1.9815447771 0.7452712583 0 -5.1453142064 -1.1596795256 -0.282378081 0 1.2331695715 -1.0514031613 1.9034401712 0 0.5456034058 1.4700732466 0.5611243401 0 1.7785706823 1.2969046452 1.8180331191 0 4.079239654 0.8508362847 1.3199169989 0 4.6560398464 0.5569773932 -0.3268122939 0 4.1677105631 -1.7314966061 -0.1111404947 0 3.5101030323 -1.4909754806 1.5108845319 0 3.4605732459 2.0798627537 -1.7540663352 0 0.7015735134 -2.4436344001 -1.2296180938 0 2.4240947246 -2.7871979952 -1.5098141407 0 1.6503033397 -3.2874853385 0.0053592771 0 0.5663854981 2.8852343698 -1.1294315834 0 1.5847733593 3.5099746465 -2.4273874181 0 1.0658243609 1.818643725 -2.4495953659 0 4.0370349339 3.1846572593 0.4126012859 0 2.3383008341 3.6251029093 0.6475657498 0 3.2566006633 4.3212964996 -0.6912816001 0 -1.1245799702 0.5433170644 1.740993086 0 -1.1431581591 -1.1191352292 2.3504193187 0 -3.0637990183 -2.3941162931 2.0910892618 0 -4.6996275808 0.517119371 -1.5502083716 0 -1.2849647102 0.8789694542 -1.1458989549 0 -2.7490830669 1.8092032583 -1.5101930108 0 -1.9626366815 1.9558763923 0.0666201865 0 -5.3066444161 -2.7938485064 1.114843202 0 -6.1234500496 -1.3236831574 -0.7222069062