Gaussian 16 GINC-DEPAZ04 APULGAR Optimization meptyldinocap CONF109 octanol EM64L-G16RevC.01 17-Jun-2022 Gaussian 16 3-Jul-2019 EM64L-G16RevC.01 50 50 97 97 716 (5D, 7F) 6-311+G(d,p) 144 144 C1[X(C18H24N2O6)] C1[X(C18H24N2O6)] RB3LYP 6-311+G(d,p) FOpt #P B3LYP 6-311+G(d,p) EmpiricalDispersion=gd3 scrf=(smd,Solvent=n-Octanol) opt freq 340.2023999999997 0 1 AuxInfo=1/0/N:9;10;11;12;13;14;15;16;17;18;19;20;21;22;23;24;25;26;7;8;1;2;3;4;5;6;27;28;29;30;31;32;33;34;35;36;37;38;39;40;41;42;43;44;45;46;47;48;49;50/rA:50nO0O0O0O0O0O0N0N0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:-.5012,.7891,1.2976;1.3744,3.4851,-.924;.4705,3.3109,1.0052;4.8214,-1.6357,-.7835;5.0804,.3793,-1.439;-1.2952,1.5056,-.6746;1.0727,2.8608,.0612;4.4517,-.4917,-.8889;.3811,-1.8893,1.5757;-.2959,-2.8119,.5527;-1.2755,-2.1077,-.3755;-2.0374,-3.0711,-1.2784;1.1828,-.806,.8871;-2.8531,-2.376,-2.3675;1.248,-2.6936,2.5425;-3.8349,-1.3155,-1.8735;.716,.5032,.7696;2.4204,-1.1081,.3334;1.4967,1.4709,.1303;3.1612,-.139,-.3164;2.7158,1.1627,-.4326;-4.8491,-1.8254,-.8603;-1.4871,1.2781,.4893;-2.7246,1.4503,1.2405;-3.8215,1.9159,.6367;-5.1244,2.1366,1.3057;-.4047,-1.4154,2.1667;-.8233,-3.5915,1.1113;.4708,-3.3255,-.0381;-.7443,-1.3807,-.999;-1.9905,-1.5388,.228;-2.6869,-3.7056,-.6668;-1.3284,-3.7514,-1.7611;-2.1649,-1.9071,-3.0782;-3.4012,-3.1348,-2.9353;1.7569,-2.0494,3.2605;.6242,-3.3885,3.1053;2.0052,-3.2896,2.0299;-3.2856,-.4714,-1.4469;-4.3673,-.9103,-2.7387;2.8008,-2.1172,.4062;3.3028,1.9227,-.9277;-4.3791,-2.1379,.0742;-5.5766,-1.0515,-.6088;-5.4061,-2.6809,-1.249;-2.724,1.193,2.2928;-3.7772,2.165,-.4193;-5.4144,3.1865,1.2178;-5.9096,1.5646,.8061;-5.1097,1.8654,2.3598; g16 /usr/local/gaussian/gaussian16/g16/l1.exe "/temporal/apulgar/opt-b3lyp-pople.com-3889017/Gau-5045.inp" -scrdir="/temporal/apulgar/opt-b3lyp-pople.com-3889017/" chk=/home/apulgar/almacen/pesticidas/gaussian_results/C4-C8/meptyldinocap/octan #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 meptyldinocap CONF109 octanol 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 50 16 16 16 16 16 16 14 14 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 15.9949146 15.9949146 15.9949146 15.9949146 15.9949146 15.9949146 14.0030740 14.0030740 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 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 2 2 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 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 (Enter /usr/local/gaussian/gaussian16/g16/l101.exe) Berny optimization. R1 R2 R3 R4 R5 R6 R7 R8 R9 R10 R11 R12 R13 R14 R15 R16 R17 R18 R19 R20 R21 R22 R23 R24 R25 R26 R27 R28 R29 R30 R31 R32 R33 R34 R35 R36 R37 R38 R39 R40 R41 R42 R43 R44 R45 R46 R47 R48 R49 R50 1 1 2 3 4 5 6 7 8 9 9 9 9 10 10 10 11 11 11 12 12 12 13 13 14 14 14 15 15 15 16 16 16 17 18 18 19 20 21 22 22 22 23 24 24 25 25 26 26 26 17 23 7 7 8 8 23 19 20 10 13 15 27 11 28 29 12 30 31 14 32 33 17 18 16 34 35 36 37 38 22 39 40 19 20 41 21 21 42 43 44 45 24 25 46 26 47 48 49 50 1.3572 1.3655 1.2047 1.2069 1.2068 1.2068 1.2013 1.4547 1.4551 1.5349 1.5134 1.5274 1.0914 1.5223 1.0945 1.0958 1.5245 1.0952 1.095 1.528 1.0947 1.0947 1.3949 1.3891 1.5273 1.0948 1.0949 1.0906 1.0903 1.0915 1.5215 1.0937 1.0937 1.3981 1.3821 1.0809 1.3777 1.3807 1.0804 1.0917 1.0915 1.0924 1.4579 1.3359 1.0833 1.4811 1.0858 1.0928 1.0924 1.0885 estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|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 17 2 2 3 4 4 5 10 10 10 13 13 15 9 9 9 11 11 28 10 10 10 12 12 30 11 11 11 14 14 32 9 9 17 12 12 12 16 16 34 9 9 9 36 36 37 14 14 14 22 22 39 1 1 13 13 13 20 7 7 17 8 8 18 19 19 20 16 16 16 43 43 44 1 1 6 23 23 25 24 24 26 25 25 25 48 48 49 1 7 7 7 8 8 8 9 9 9 9 9 9 10 10 10 10 10 10 11 11 11 11 11 11 12 12 12 12 12 12 13 13 13 14 14 14 14 14 14 15 15 15 15 15 15 16 16 16 16 16 16 17 17 17 18 18 18 19 19 19 20 20 20 21 21 21 22 22 22 22 22 22 23 23 23 24 24 24 25 25 25 26 26 26 26 26 26 23 3 19 19 5 20 20 13 15 27 15 27 27 11 28 29 28 29 29 12 30 31 30 31 31 14 32 33 32 33 33 17 18 18 16 34 35 34 35 35 36 37 38 37 38 38 22 39 40 39 40 40 13 19 19 20 41 41 17 21 21 18 21 21 20 42 42 43 44 45 44 45 45 6 24 24 25 46 46 26 47 47 48 49 50 49 50 50 119.5197 124.8436 117.4524 117.6844 124.3606 117.84 117.7994 111.1392 110.8342 107.7142 111.3621 108.4755 107.133 114.341 107.4915 109.4208 109.3016 109.7748 106.172 112.9789 110.0034 108.9346 108.9513 109.1721 106.5979 113.6656 109.3854 109.2801 110.1913 108.3104 105.6923 122.2018 119.8425 117.9515 115.3752 108.7823 108.7563 108.4652 109.0953 105.9568 111.7476 109.7323 112.5806 107.6705 107.9416 106.9351 114.2819 109.8205 108.3183 109.4924 109.06 105.4886 117.7126 122.199 120.0878 120.8262 119.3256 119.8459 121.3522 116.885 121.7425 119.3653 118.7834 121.8501 117.5162 120.7104 121.7629 112.2679 111.1062 111.4249 107.022 107.4537 107.3053 121.7329 110.4965 127.7692 120.3444 118.1629 121.4926 124.7505 119.0778 116.1699 109.8925 110.3458 112.8567 105.9917 108.7117 108.7957 estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|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 23 23 17 17 2 2 3 3 4 4 5 5 13 13 13 15 15 15 27 27 27 10 10 15 15 27 27 10 10 10 13 13 13 27 27 27 9 9 9 28 28 28 29 29 29 10 10 10 30 30 30 31 31 31 11 11 11 32 32 32 33 33 33 9 9 18 18 9 9 17 17 12 12 12 34 34 34 35 35 35 14 14 14 39 39 39 40 40 40 1 1 13 13 13 13 41 41 7 7 17 17 8 8 18 18 1 1 6 6 23 23 46 46 24 24 24 47 47 47 1 1 1 1 7 7 7 7 8 8 8 8 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 10 10 10 10 10 10 10 10 10 11 11 11 11 11 11 11 11 11 12 12 12 12 12 12 12 12 12 13 13 13 13 13 13 13 13 14 14 14 14 14 14 14 14 14 16 16 16 16 16 16 16 16 16 17 17 17 17 18 18 18 18 19 19 19 19 20 20 20 20 23 23 23 23 24 24 24 24 25 25 25 25 25 25 17 17 23 23 19 19 19 19 20 20 20 20 10 10 10 10 10 10 10 10 10 13 13 13 13 13 13 15 15 15 15 15 15 15 15 15 11 11 11 11 11 11 11 11 11 12 12 12 12 12 12 12 12 12 14 14 14 14 14 14 14 14 14 17 17 17 17 18 18 18 18 16 16 16 16 16 16 16 16 16 22 22 22 22 22 22 22 22 22 19 19 19 19 20 20 20 20 21 21 21 21 21 21 21 21 24 24 24 24 25 25 25 25 26 26 26 26 26 26 13 19 6 24 17 21 17 21 18 21 18 21 11 28 29 11 28 29 11 28 29 17 18 17 18 17 18 36 37 38 36 37 38 36 37 38 12 30 31 12 30 31 12 30 31 14 32 33 14 32 33 14 32 33 16 34 35 16 34 35 16 34 35 1 19 1 19 20 41 20 41 22 39 40 22 39 40 22 39 40 43 44 45 43 44 45 43 44 45 7 21 7 21 8 21 8 21 20 42 20 42 19 42 19 42 25 46 25 46 26 47 26 47 48 49 50 48 49 50 -121.1484 59.1155 -2.4832 177.1122 -146.5951 35.0145 34.9357 -143.4548 0.758 -179.6327 -179.318 0.2914 -60.6641 177.8064 62.9246 174.9333 53.4037 -61.478 58.0329 -63.4966 -178.3784 102.3074 -76.9324 -133.5891 47.1711 -15.9308 164.8294 178.5287 -62.1127 56.8551 54.253 173.6116 -67.4207 -64.2141 55.1445 174.1122 -173.9485 64.0617 -52.4426 -53.4198 -175.4096 68.086 62.6533 -59.3365 -175.8408 -170.6169 65.7616 -49.5062 -48.0382 -171.6597 73.0726 68.0113 -55.6101 -170.8779 -54.453 67.6586 -177.3713 68.7287 -169.1597 -54.1895 -176.1049 -53.9933 60.9769 -0.0669 179.675 179.1866 -1.0715 179.0896 -0.3539 -0.1821 -179.6257 -57.0867 66.3984 -178.8717 -179.368 -55.883 58.847 65.6514 -170.8636 -56.1336 65.1448 -175.0449 -55.442 -58.5168 61.2935 -179.1036 -173.4784 -53.668 65.9349 3.389 -178.2991 -176.341 1.9709 -179.7822 0.6209 -0.3416 -179.9385 176.8722 -1.9652 -1.5115 179.6511 -179.3763 -0.5519 0.2229 179.0472 -179.787 0.3359 -0.2222 179.9007 -179.5904 -0.0946 0.2825 179.7783 120.7623 -122.7085 -0.7554 -58.7467 57.7825 179.7356 estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|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 742 A 716 A 1128 742 2495.1554023943 50 1.00e+00 60 F IExCor= 402 DFT=T Ex+Corr=B3LYP ExCW=0 ScaHFX= 0.200000 ScaDFX= 0.800000 0.720000 1.000000 0.810000 ScalE2= 1.000000 1.000000 IRadAn= 5 IRanWt= -1 IRanGd= 0 ICorTp=0 IEmpDi=131 NPDir=0 NMtPBC= 1 NCelOv= 1 NCel= 1 NClECP= 1 NCelD= 1 NCelK= 1 NCelE2= 1 NClLst= 1 CellRange= 0.0. One-electron integrals computed using PRISM. One-electron integral symmetry used in STVInt NBasis= 716 RedAO= T EigKep= 1.00D-06 NBF= 716 NBsUse= 713 1.00D-06 EigRej= 6.71D-07 NBFU= 713 Berny optimization. local minimum Step number 22 out of a maximum of 267 All quantities printed in internal units (Hartrees-Bohrs-Radians) 0.00124 0.00402 0.00406 0.00412 0.00442 0.00474 0.00503 0.00801 0.00973 0.01050 0.01256 0.01268 0.01636 0.01843 0.01936 0.01944 0.02120 0.02187 0.02248 0.02271 0.02334 0.02367 0.02430 0.02899 0.03146 0.03408 0.03477 0.03510 0.03692 0.04146 0.04712 0.04819 0.04838 0.04865 0.04875 0.05041 0.05356 0.05434 0.05512 0.05572 0.05686 0.05845 0.06436 0.07096 0.07634 0.07968 0.08558 0.08560 0.08603 0.08708 0.08843 0.11010 0.11206 0.12338 0.12395 0.12429 0.12504 0.13207 0.15524 0.15809 0.15974 0.15998 0.15999 0.16000 0.16003 0.16003 0.16006 0.16025 0.16048 0.16078 0.16169 0.17817 0.18790 0.19288 0.21921 0.21944 0.22037 0.22168 0.22607 0.23015 0.23602 0.23662 0.24686 0.24941 0.24992 0.25006 0.25071 0.25145 0.25847 0.27242 0.27669 0.28680 0.29196 0.29675 0.29827 0.30064 0.30230 0.30447 0.31653 0.32341 0.33190 0.34156 0.34261 0.34267 0.34276 0.34283 0.34291 0.34306 0.34354 0.34384 0.34430 0.34468 0.34511 0.34547 0.34583 0.34620 0.34678 0.34758 0.34766 0.34816 0.34944 0.35264 0.35343 0.35613 0.35947 0.36076 0.37363 0.37428 0.38665 0.39912 0.43013 0.45691 0.47682 0.48328 0.48773 0.50146 0.57812 0.58573 0.75287 0.86345 1.00437 1.01474 1.02068 1.02446 -3.41126795e-09 R1 R2 R3 R4 R5 R6 R7 R8 R9 R10 R11 R12 R13 R14 R15 R16 R17 R18 R19 R20 R21 R22 R23 R24 R25 R26 R27 R28 R29 R30 R31 R32 R33 R34 R35 R36 R37 R38 R39 R40 R41 R42 R43 R44 R45 R46 R47 R48 R49 R50 A1 A2 A3 A4 A5 A6 A7 A8 A9 A10 A11 A12 A13 A14 A15 A16 A17 A18 A19 A20 A21 A22 A23 A24 A25 A26 A27 A28 A29 A30 A31 A32 A33 A34 A35 A36 A37 A38 A39 A40 A41 A42 A43 A44 A45 A46 A47 A48 A49 A50 A51 A52 A53 A54 A55 A56 A57 A58 A59 A60 A61 A62 A63 A64 A65 A66 A67 A68 A69 A70 A71 A72 A73 A74 A75 A76 A77 A78 A79 A80 A81 A82 A83 A84 A85 A86 A87 A88 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 2.59038 2.63310 2.31277 2.31520 2.31878 2.31850 2.28131 2.77890 2.77819 2.92206 2.87439 2.90284 2.06276 2.89181 2.07189 2.07371 2.89286 2.07175 2.06985 2.90548 2.07246 2.07323 2.65292 2.63442 2.90567 2.07346 2.07388 2.06666 2.06625 2.06675 2.89289 2.06841 2.07184 2.65478 2.62674 2.04238 2.61524 2.61872 2.04133 2.06758 2.06818 2.07092 2.75640 2.53276 2.04782 2.80922 2.05523 2.07200 2.07143 2.06314 2.09357 2.16988 2.05180 2.06113 2.15900 2.06178 2.06240 1.93500 1.94135 1.87611 1.95313 1.87516 1.87928 1.99151 1.87567 1.90261 1.90903 1.91930 1.86081 1.97917 1.91695 1.89692 1.90500 1.90630 1.85539 1.98470 1.90398 1.90707 1.91896 1.89385 1.85047 2.11752 2.10709 2.05794 2.01343 1.89734 1.89672 1.89202 1.90204 1.85600 1.94384 1.91184 1.95564 1.88603 1.88848 1.87545 1.99319 1.91218 1.89010 1.90939 1.90481 1.84852 2.04840 2.13753 2.09724 2.10437 2.09832 2.08037 2.12052 2.03671 2.12579 2.07955 2.06888 2.13475 2.04593 2.10899 2.12815 1.95099 1.93882 1.94035 1.87399 1.87792 1.87841 2.12274 1.91276 2.24752 2.10507 2.04455 2.13334 2.18043 2.06396 2.03879 1.91908 1.91860 1.96326 1.85368 1.90277 1.90313 -2.09897 1.04812 -0.08930 3.03441 -2.54514 0.61625 0.62438 -2.49742 0.03126 -3.11124 -3.11138 0.02930 -1.06822 3.09509 1.08476 3.02979 0.90992 -1.10041 0.97654 -1.14333 3.12953 1.75454 -1.34818 -2.35012 0.83035 -0.29081 2.88966 3.11005 -1.08774 0.99190 0.93505 3.02045 -1.18310 -1.12180 0.96359 3.04323 -3.02676 1.11992 -0.90320 -0.92544 -3.06194 1.19812 1.11250 -1.02401 -3.04713 -3.01345 1.12095 -0.89479 -0.87033 -3.01912 1.24832 1.15143 -0.99736 -3.01310 -0.95095 1.17777 -3.09231 1.18963 -2.96484 -0.95173 -3.07695 -0.94823 1.06487 0.02828 -3.11868 3.13206 -0.01490 3.10071 -0.02318 -0.00330 -3.12720 -0.99735 1.15122 -3.12341 -3.12892 -0.98035 1.02821 1.14118 -2.99344 -0.98488 1.13602 -3.05428 -0.96293 -1.01407 1.07882 -3.11301 -3.02922 -0.93634 1.15502 0.04525 -3.11715 -3.09069 0.03009 -3.13490 0.00763 -0.01083 3.13170 3.09643 -0.02951 -0.02531 3.13194 -3.13408 -0.00833 0.00658 3.13233 -3.10475 0.01428 0.01731 3.13634 3.11874 -0.01903 0.00089 -3.13688 2.11461 -2.13382 -0.00955 -1.03076 1.00400 3.12827 -0.00001 0.00001 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00001 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 0.00001 -0.00001 -0.00000 0.00000 0.00000 -0.00000 -0.00001 0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 -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 0.00001 -0.00001 -0.00000 0.00000 0.00000 0.00000 0.00001 -0.00001 -0.00001 0.00000 0.00000 0.00001 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00001 -0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00001 0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00001 0.00000 0.00000 -0.00000 -0.00000 -0.00001 0.00000 -0.00000 0.00001 0.00001 0.00001 0.00000 -0.00001 -0.00000 0.00000 0.00001 -0.00000 0.00001 0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00001 -0.00000 0.00000 0.00000 0.00000 -0.00001 0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00001 0.00000 -0.00000 -0.00000 0.00000 0.00001 -0.00002 0.00001 0.00001 -0.00000 0.00001 -0.00001 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00001 -0.00001 0.00001 0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00001 -0.00001 -0.00000 -0.00000 0.00001 0.00000 -0.00001 0.00001 0.00001 -0.00002 -0.00000 0.00000 0.00001 -0.00001 -0.00006 -0.00005 0.00000 -0.00002 -0.00002 -0.00003 -0.00001 -0.00002 -0.00041 -0.00040 -0.00039 -0.00038 -0.00010 -0.00008 -0.00009 -0.00010 -0.00009 -0.00010 -0.00010 -0.00008 -0.00009 -0.00005 -0.00004 -0.00004 -0.00004 -0.00004 -0.00004 -0.00001 -0.00001 -0.00001 -0.00001 -0.00001 -0.00001 -0.00002 -0.00002 -0.00002 0.00001 0.00001 0.00001 -0.00001 -0.00000 -0.00001 0.00000 0.00000 -0.00000 -0.00009 -0.00008 -0.00009 -0.00008 -0.00008 -0.00009 -0.00008 -0.00008 -0.00008 -0.00005 -0.00005 -0.00004 -0.00005 -0.00004 -0.00004 -0.00005 -0.00004 -0.00004 0.00002 0.00001 0.00002 0.00001 -0.00001 -0.00000 -0.00001 0.00000 0.00001 0.00000 0.00001 0.00000 -0.00000 0.00000 -0.00000 -0.00001 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00001 -0.00001 -0.00001 -0.00002 -0.00001 -0.00001 0.00000 -0.00000 -0.00001 -0.00001 -0.00002 -0.00001 0.00001 -0.00002 0.00000 0.00002 -0.00000 0.00002 0.00000 -0.00003 -0.00003 -0.00005 -0.00005 -0.00003 -0.00001 -0.00003 -0.00001 0.00015 0.00015 0.00013 0.00013 0.00013 0.00011 -0.00003 0.00005 0.00000 -0.00000 -0.00000 -0.00000 -0.00002 0.00001 0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 0.00001 -0.00000 0.00000 -0.00001 -0.00000 0.00000 0.00000 0.00000 0.00000 -0.00001 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00001 0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00001 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00001 -0.00001 0.00000 -0.00001 -0.00001 0.00001 0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00001 0.00000 0.00001 -0.00001 0.00001 -0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00001 -0.00000 0.00000 -0.00000 0.00001 -0.00000 -0.00001 -0.00000 -0.00000 0.00000 -0.00001 -0.00000 0.00001 0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00001 -0.00002 0.00002 -0.00000 0.00000 0.00000 -0.00000 0.00001 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 0.00003 0.00005 -0.00002 -0.00003 -0.00003 -0.00002 -0.00002 -0.00001 0.00002 0.00001 0.00002 0.00001 -0.00004 -0.00003 -0.00003 -0.00004 -0.00003 -0.00003 -0.00003 -0.00003 -0.00003 0.00005 0.00003 0.00006 0.00003 0.00005 0.00002 -0.00000 -0.00000 -0.00000 -0.00001 -0.00001 -0.00001 -0.00001 -0.00000 -0.00000 -0.00001 -0.00002 -0.00001 -0.00001 -0.00002 -0.00002 -0.00002 -0.00003 -0.00003 -0.00002 -0.00002 -0.00001 -0.00001 -0.00001 -0.00001 -0.00002 -0.00002 -0.00001 -0.00002 -0.00002 -0.00002 -0.00002 -0.00002 -0.00002 -0.00002 -0.00002 -0.00002 -0.00001 -0.00003 0.00001 -0.00000 0.00003 0.00002 -0.00000 -0.00001 0.00001 0.00001 0.00000 0.00001 0.00000 -0.00000 0.00001 -0.00000 -0.00000 0.00001 0.00001 0.00001 0.00001 0.00002 0.00002 0.00002 0.00002 0.00002 0.00000 -0.00001 0.00002 0.00000 -0.00001 0.00000 -0.00001 0.00001 -0.00001 -0.00001 -0.00000 0.00000 0.00001 0.00001 -0.00000 -0.00001 0.00018 0.00014 0.00018 0.00013 -0.00004 -0.00003 0.00000 0.00002 0.00002 0.00002 0.00002 0.00001 0.00001 0.00001 -0.00001 0.00004 0.00000 -0.00000 0.00000 0.00000 -0.00001 -0.00001 -0.00001 -0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 -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 -0.00001 0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 0.00001 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00001 0.00001 -0.00001 0.00001 0.00000 -0.00000 0.00001 -0.00001 -0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00001 0.00001 -0.00000 0.00001 -0.00001 0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00001 -0.00000 0.00000 -0.00000 0.00001 0.00000 -0.00000 0.00001 -0.00001 -0.00000 0.00000 -0.00000 -0.00001 -0.00000 0.00001 -0.00000 -0.00000 0.00001 -0.00001 0.00001 0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00001 0.00001 -0.00001 -0.00000 0.00001 0.00000 -0.00000 0.00000 0.00001 -0.00002 -0.00000 0.00000 0.00001 -0.00001 -0.00003 -0.00001 -0.00001 -0.00004 -0.00005 -0.00005 -0.00003 -0.00002 -0.00038 -0.00039 -0.00037 -0.00038 -0.00013 -0.00012 -0.00012 -0.00014 -0.00012 -0.00012 -0.00013 -0.00012 -0.00012 0.00000 -0.00002 0.00001 -0.00001 0.00000 -0.00002 -0.00001 -0.00001 -0.00001 -0.00003 -0.00003 -0.00003 -0.00002 -0.00002 -0.00002 -0.00000 -0.00001 -0.00001 -0.00002 -0.00002 -0.00002 -0.00002 -0.00002 -0.00003 -0.00010 -0.00010 -0.00010 -0.00010 -0.00010 -0.00010 -0.00009 -0.00009 -0.00009 -0.00007 -0.00006 -0.00006 -0.00007 -0.00006 -0.00005 -0.00007 -0.00006 -0.00005 0.00001 -0.00001 0.00003 0.00001 0.00001 0.00002 -0.00001 -0.00000 0.00002 0.00001 0.00001 0.00001 -0.00000 0.00000 0.00001 -0.00001 -0.00000 0.00000 0.00001 0.00001 0.00001 0.00001 0.00001 0.00001 0.00001 0.00001 -0.00002 -0.00002 0.00001 0.00000 -0.00001 -0.00001 -0.00002 -0.00001 -0.00002 -0.00000 -0.00002 0.00000 0.00003 0.00000 0.00002 -0.00000 0.00016 0.00012 0.00012 0.00008 -0.00008 -0.00004 -0.00003 0.00000 0.00017 0.00018 0.00015 0.00014 0.00014 0.00012 2.59037 2.63314 2.31277 2.31520 2.31879 2.31850 2.28130 2.77890 2.77818 2.92206 2.87439 2.90284 2.06276 2.89181 2.07189 2.07371 2.89286 2.07175 2.06985 2.90548 2.07246 2.07323 2.65293 2.63442 2.90567 2.07346 2.07388 2.06665 2.06625 2.06675 2.89289 2.06840 2.07184 2.65479 2.62673 2.04238 2.61524 2.61872 2.04133 2.06758 2.06818 2.07091 2.75639 2.53276 2.04782 2.80921 2.05523 2.07199 2.07143 2.06314 2.09356 2.16988 2.05180 2.06114 2.15900 2.06178 2.06240 1.93501 1.94135 1.87611 1.95313 1.87516 1.87927 1.99151 1.87567 1.90262 1.90902 1.91930 1.86081 1.97917 1.91696 1.89691 1.90500 1.90630 1.85539 1.98470 1.90398 1.90706 1.91895 1.89385 1.85047 2.11752 2.10710 2.05794 2.01342 1.89735 1.89672 1.89203 1.90203 1.85601 1.94384 1.91184 1.95564 1.88603 1.88848 1.87545 1.99319 1.91218 1.89010 1.90939 1.90482 1.84852 2.04840 2.13754 2.09723 2.10437 2.09832 2.08036 2.12051 2.03670 2.12579 2.07955 2.06888 2.13476 2.04593 2.10900 2.12815 1.95098 1.93882 1.94035 1.87399 1.87792 1.87841 2.12274 1.91275 2.24753 2.10506 2.04454 2.13335 2.18043 2.06395 2.03879 1.91908 1.91858 1.96325 1.85368 1.90279 1.90312 -2.09900 1.04811 -0.08931 3.03437 -2.54519 0.61620 0.62435 -2.49744 0.03088 -3.11163 -3.11175 0.02893 -1.06836 3.09497 1.08465 3.02965 0.90979 -1.10053 0.97641 -1.14345 3.12941 1.75455 -1.34820 -2.35011 0.83034 -0.29080 2.88964 3.11003 -1.08775 0.99188 0.93502 3.02042 -1.18313 -1.12183 0.96357 3.04321 -3.02676 1.11991 -0.90321 -0.92546 -3.06196 1.19810 1.11248 -1.02403 -3.04715 -3.01355 1.12084 -0.89489 -0.87043 -3.01922 1.24823 1.15133 -0.99745 -3.01319 -0.95102 1.17771 -3.09237 1.18956 -2.96490 -0.95179 -3.07702 -0.94830 1.06481 0.02829 -3.11869 3.13209 -0.01489 3.10072 -0.02316 -0.00331 -3.12720 -0.99733 1.15123 -3.12339 -3.12891 -0.98035 1.02821 1.14118 -2.99344 -0.98488 1.13602 -3.05428 -0.96292 -1.01405 1.07883 -3.11299 -3.02921 -0.93633 1.15503 0.04524 -3.11717 -3.09068 0.03010 -3.13492 0.00763 -0.01085 3.13169 3.09640 -0.02951 -0.02532 3.13195 -3.13405 -0.00832 0.00660 3.13232 -3.10459 0.01439 0.01744 3.13642 3.11866 -0.01907 0.00086 -3.13688 2.11478 -2.13364 -0.00940 -1.03062 1.00414 3.12838 |Maximum Force|RMS Force|Maximum Displacement|RMS Displacement| 0.000012 0.000002 0.001161 0.000290 0.000450 0.000300 0.001800 0.001200 YES YES YES YES -3.868415e-09 Optimization completed. -- Stationary point found. R1 R2 R3 R4 R5 R6 R7 R8 R9 R10 R11 R12 R13 R14 R15 R16 R17 R18 R19 R20 R21 R22 R23 R24 R25 R26 R27 R28 R29 R30 R31 R32 R33 R34 R35 R36 R37 R38 R39 R40 R41 R42 R43 R44 R45 R46 R47 R48 R49 R50 1 1 2 3 4 5 6 7 8 9 9 9 9 10 10 10 11 11 11 12 12 12 13 13 14 14 14 15 15 15 16 16 16 17 18 18 19 20 21 22 22 22 23 24 24 25 25 26 26 26 17 23 7 7 8 8 23 19 20 10 13 15 27 11 28 29 12 30 31 14 32 33 17 18 16 34 35 36 37 38 22 39 40 19 20 41 21 21 42 43 44 45 24 25 46 26 47 48 49 50 1.3708 1.3934 1.2239 1.2252 1.227 1.2269 1.2072 1.4705 1.4702 1.5463 1.5211 1.5361 1.0916 1.5303 1.0964 1.0974 1.5308 1.0963 1.0953 1.5375 1.0967 1.0971 1.4039 1.3941 1.5376 1.0972 1.0975 1.0936 1.0934 1.0937 1.5308 1.0946 1.0964 1.4049 1.39 1.0808 1.3839 1.3858 1.0802 1.0941 1.0944 1.0959 1.4586 1.3403 1.0837 1.4866 1.0876 1.0965 1.0962 1.0918 -DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-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 17 2 2 3 4 4 5 10 10 10 13 13 15 9 9 9 11 11 28 10 10 10 12 12 30 11 11 11 14 14 32 9 9 17 12 12 12 16 16 34 9 9 9 36 36 37 14 14 14 22 22 39 1 1 13 13 13 20 7 7 17 8 8 18 19 19 20 16 16 16 43 43 44 1 1 6 23 23 25 24 24 26 25 25 25 48 48 49 1 7 7 7 8 8 8 9 9 9 9 9 9 10 10 10 10 10 10 11 11 11 11 11 11 12 12 12 12 12 12 13 13 13 14 14 14 14 14 14 15 15 15 15 15 15 16 16 16 16 16 16 17 17 17 18 18 18 19 19 19 20 20 20 21 21 21 22 22 22 22 22 22 23 23 23 24 24 24 25 25 25 26 26 26 26 26 26 23 3 19 19 5 20 20 13 15 27 15 27 27 11 28 29 28 29 29 12 30 31 30 31 31 14 32 33 32 33 33 17 18 18 16 34 35 34 35 35 36 37 38 37 38 38 22 39 40 39 40 40 13 19 19 20 41 41 17 21 21 18 21 21 20 42 42 43 44 45 44 45 45 6 24 24 25 46 46 26 47 47 48 49 50 49 50 50 119.9526 124.3251 117.5595 118.0943 123.7017 118.1314 118.1668 110.8673 111.231 107.4934 111.9062 107.4386 107.6745 114.1051 107.4681 109.0114 109.3795 109.9676 106.6166 113.3983 109.8331 108.6854 109.1487 109.2227 106.3059 113.7148 109.0898 109.2668 109.9481 108.5096 106.024 121.3252 120.7275 117.9113 115.3611 108.7095 108.6741 108.405 108.979 106.3413 111.3739 109.5401 112.0499 108.0618 108.2021 107.4553 114.2016 109.56 108.2948 109.4001 109.1378 105.9123 117.3648 122.4714 120.1631 120.5714 120.2247 119.1962 121.4968 116.6947 121.7985 119.1494 118.5384 122.3123 117.2233 120.8364 121.934 111.7832 111.086 111.1738 107.3716 107.5969 107.625 121.6241 109.5933 128.7731 120.6117 117.1439 122.2312 124.9295 118.256 116.8142 109.9549 109.9274 112.4863 106.2079 109.0209 109.0411 -DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-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 23 23 17 17 2 2 3 3 4 4 5 5 13 13 13 15 15 15 27 27 27 10 10 15 15 27 27 10 10 10 13 13 13 27 27 27 9 9 9 28 28 28 29 29 29 10 10 10 30 30 30 31 31 31 11 11 11 32 32 32 33 33 33 9 9 18 18 9 9 17 17 12 12 12 34 34 34 35 35 35 14 14 14 39 39 39 40 40 40 1 1 13 13 13 13 41 41 7 7 17 17 8 8 18 18 1 1 6 6 23 23 46 46 24 24 24 47 47 1 1 1 1 7 7 7 7 8 8 8 8 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 10 10 10 10 10 10 10 10 10 11 11 11 11 11 11 11 11 11 12 12 12 12 12 12 12 12 12 13 13 13 13 13 13 13 13 14 14 14 14 14 14 14 14 14 16 16 16 16 16 16 16 16 16 17 17 17 17 18 18 18 18 19 19 19 19 20 20 20 20 23 23 23 23 24 24 24 24 25 25 25 25 25 17 17 23 23 19 19 19 19 20 20 20 20 10 10 10 10 10 10 10 10 10 13 13 13 13 13 13 15 15 15 15 15 15 15 15 15 11 11 11 11 11 11 11 11 11 12 12 12 12 12 12 12 12 12 14 14 14 14 14 14 14 14 14 17 17 17 17 18 18 18 18 16 16 16 16 16 16 16 16 16 22 22 22 22 22 22 22 22 22 19 19 19 19 20 20 20 20 21 21 21 21 21 21 21 21 24 24 24 24 25 25 25 25 26 26 26 26 26 13 19 6 24 17 21 17 21 18 21 18 21 11 28 29 11 28 29 11 28 29 17 18 17 18 17 18 36 37 38 36 37 38 36 37 38 12 30 31 12 30 31 12 30 31 14 32 33 14 32 33 14 32 33 16 34 35 16 34 35 16 34 35 1 19 1 19 20 41 20 41 22 39 40 22 39 40 22 39 40 43 44 45 43 44 45 43 44 45 7 21 7 21 8 21 8 21 20 42 20 42 19 42 19 42 25 46 25 46 26 47 26 47 48 49 50 48 49 -120.2624 60.0528 -5.1163 173.8591 -145.8257 35.3085 35.7743 -143.0915 1.7913 -178.2608 -178.2691 1.6788 -61.2048 177.3355 62.1524 173.594 52.1343 -63.0488 55.9515 -65.5082 179.3087 100.5279 -77.2448 -134.652 47.5753 -16.662 165.5653 178.1927 -62.3228 56.8314 53.5745 173.0591 -67.7867 -64.2746 55.2099 174.3641 -173.4205 64.1667 -51.7495 -53.0236 -175.4363 68.6475 63.7414 -58.6713 -174.5875 -172.6579 64.2255 -51.2678 -49.8664 -172.983 71.5237 65.9719 -57.1447 -172.638 -54.4852 67.4815 -177.1763 68.1607 -169.8726 -54.5304 -176.2964 -54.3297 61.0125 1.6203 -178.6872 179.4537 -0.8538 177.6577 -1.3281 -0.1893 -179.1751 -57.144 65.9601 -178.958 -179.274 -56.1699 58.912 65.3846 -171.5113 -56.4294 65.089 -174.9975 -55.1716 -58.1017 61.8119 -178.3622 -173.5616 -53.648 66.1778 2.5928 -178.5995 -177.0835 1.7243 -179.6168 0.4373 -0.6207 179.4334 177.4121 -1.6907 -1.45 179.4471 -179.5693 -0.477 0.3769 179.4692 -177.8889 0.8179 0.992 179.6988 178.6904 -1.0905 0.0508 -179.7301 121.1581 -122.2589 -0.5473 -59.0581 57.5249 -DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-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 -0.0596840674 PCM SMD-Coulomb. Total charges None On-the-fly selection n-Octanol 9.862900 2.043470 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 340.2023999999997 AuxInfo=1/0/N:9;10;11;12;13;14;15;16;17;18;19;20;21;22;23;24;25;26;7;8;1;2;3;4;5;6;27;28;29;30;31;32;33;34;35;36;37;38;39;40;41;42;43;44;45;46;47;48;49;50/rA:50nO0O0O0O0O0O0N0N0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:-.5012,.7891,1.2976;1.3744,3.4851,-.924;.4705,3.3109,1.0052;4.8214,-1.6357,-.7835;5.0804,.3793,-1.439;-1.2952,1.5056,-.6746;1.0727,2.8608,.0612;4.4517,-.4917,-.8889;.3811,-1.8893,1.5757;-.2959,-2.8119,.5528;-1.2755,-2.1077,-.3755;-2.0374,-3.0711,-1.2784;1.1828,-.806,.8871;-2.8531,-2.376,-2.3675;1.248,-2.6936,2.5425;-3.8349,-1.3155,-1.8735;.716,.5032,.7696;2.4204,-1.1081,.3334;1.4967,1.4709,.1303;3.1612,-.139,-.3164;2.7158,1.1627,-.4326;-4.8491,-1.8253,-.8603;-1.4871,1.2781,.4893;-2.7246,1.4503,1.2405;-3.8216,1.9159,.6367;-5.1244,2.1366,1.3057;-.4047,-1.4154,2.1666;-.8233,-3.5915,1.1113;.4708,-3.3255,-.0381;-.7443,-1.3807,-.999;-1.9905,-1.5388,.228;-2.6869,-3.7056,-.6668;-1.3284,-3.7514,-1.7611;-2.1649,-1.9071,-3.0782;-3.4012,-3.1348,-2.9353;1.7569,-2.0494,3.2605;.6242,-3.3885,3.1053;2.0052,-3.2896,2.0299;-3.2856,-.4714,-1.4469;-4.3673,-.9102,-2.7387;2.8008,-2.1172,.4062;3.3028,1.9227,-.9277;-4.3791,-2.1379,.0742;-5.5766,-1.0515,-.6088;-5.4061,-2.6809,-1.249;-2.724,1.193,2.2928;-3.7772,2.165,-.4192;-5.4144,3.1865,1.2178;-5.9096,1.5646,.8061;-5.1097,1.8654,2.3598; 0.000000 3.965032 0.000000 2.718256 2.137571 0.000000 6.208048 6.174478 6.826294 0.000000 6.229784 4.862695 5.984938 2.134677 0.000000 2.243549 3.332766 3.032903 6.876955 6.519282 0.000000 2.880566 1.204711 1.206863 5.914726 4.946661 2.825779 0.000000 5.563479 5.028543 5.822173 1.206850 1.206794 6.087888 4.853794 0.000000 2.833648 6.009938 5.232129 5.034491 6.026428 4.404508 5.033418 4.959597 0.000000 3.682937 6.680024 6.187104 5.418047 6.561592 4.598483 5.856091 5.477340 1.534934 0.000000 3.433640 6.213036 5.857920 6.128730 6.907465 3.625690 5.512726 5.972934 2.568923 1.522250 0.000000 4.888448 7.399348 7.227331 7.024852 7.911639 4.675689 6.830439 6.993838 3.923261 2.540304 1.524466 0.000000 2.355530 4.661569 4.179691 4.088824 4.691107 3.731382 3.760230 3.733477 1.513432 2.514364 3.054818 4.493349 0.000000 5.383464 7.369346 7.400077 7.871125 8.449450 4.512128 6.980951 7.687421 5.123078 3.906037 2.555152 1.528001 5.417177 0.000000 4.091255 7.085798 6.246684 4.995024 6.323098 5.869504 6.085913 5.185248 1.527409 2.521249 3.902058 5.053274 2.511479 6.405295 0.000000 5.059558 7.147343 6.944565 8.730556 9.085364 3.980730 6.728258 8.385489 5.477379 4.544323 3.069569 2.582158 5.749657 1.527280 6.872882 0.000000 1.357233 3.491903 2.828207 4.882699 4.892907 2.671307 2.487403 4.206643 2.546780 3.472889 3.477674 4.954979 1.394869 5.556057 3.693981 5.568246 0.000000 3.614535 4.875780 4.876615 2.700054 3.525483 4.653377 4.200319 2.449538 2.512441 3.213899 3.893775 5.130640 1.389100 6.059047 2.961129 6.636491 2.385722 0.000000 2.412232 2.276717 2.281254 4.641064 4.061649 2.905822 1.454730 3.690909 3.824233 4.661983 4.554880 5.924885 2.419818 6.321202 4.819077 6.340773 1.398061 2.747009 0.000000 4.108489 4.086121 4.570423 2.283460 2.282932 4.763749 3.674677 1.455147 3.791151 4.455491 4.854264 6.045560 2.409886 6.736693 4.284817 7.263286 2.751537 1.382131 2.358427 0.000000 3.671779 2.726593 3.423947 3.519617 2.686593 4.032898 2.413889 2.441058 4.335772 5.083159 5.160327 6.421340 2.822672 6.875905 5.086915 7.150494 2.424721 2.414713 1.377694 1.380747 0.000000 5.513274 8.181486 7.626184 9.672657 10.187726 4.874408 7.607682 9.395984 5.770059 4.868460 3.617366 3.103618 6.362125 2.561039 7.036160 1.521545 6.248979 7.401714 7.219105 8.203983 8.144866 0.000000 1.365535 3.880240 2.868886 7.064532 6.903489 1.201330 3.039887 6.348356 3.834504 4.260450 3.500870 4.726881 3.410347 4.835188 5.241300 4.221578 2.352264 4.581230 3.011515 4.925947 4.304383 4.770281 0.000000 2.320402 5.062330 3.704811 8.400138 8.321346 2.390403 4.219013 7.733426 4.572871 4.953630 4.167813 5.221181 4.525917 5.260664 5.886329 4.310427 3.599588 5.817237 4.364919 6.292348 5.699137 4.433597 1.457885 0.000000 3.568120 5.647603 4.528034 9.451500 9.268953 2.875772 5.017742 8.750470 5.746652 5.898280 4.867844 5.632159 5.702203 5.327559 7.111967 4.091844 4.754281 6.942561 5.360780 7.341017 6.666876 4.158576 2.424448 1.335915 0.000000 4.815584 7.001689 5.724646 10.840324 10.712516 4.356845 6.362177 10.169836 6.825768 6.954763 5.971060 6.582316 6.972410 6.246093 8.091188 4.866894 6.088170 8.270284 6.757448 8.744207 8.089384 4.523701 3.825306 2.496794 1.481102 0.000000 2.371543 6.060663 4.944907 6.005286 6.804924 4.171088 4.990094 5.811566 1.091448 2.137000 2.774880 4.156370 2.128066 5.241719 2.122841 5.300883 2.624624 3.381775 4.011549 4.528854 4.810405 5.392884 3.352648 3.801587 5.011321 5.969345 0.000000 4.396328 7.684405 7.023340 6.267225 7.558070 5.421466 6.806542 6.437047 2.136309 1.094492 2.148623 2.730405 3.440032 4.207031 2.673030 4.812339 4.387800 4.158605 5.654413 5.462112 6.124639 4.817986 4.953826 5.389914 6.288540 7.165682 2.454465 0.000000 4.433831 6.927175 6.717898 4.726346 6.077475 5.183042 6.216287 4.960012 2.162246 1.095793 2.155622 2.809666 2.776879 4.168460 2.768206 5.093963 3.920680 2.975845 4.907784 4.179658 5.033845 5.588225 5.030438 5.886814 6.808268 7.933889 3.045675 1.751216 0.000000 3.168791 5.307576 5.244349 5.575668 6.100625 2.956268 4.734494 5.272632 2.855588 2.158071 1.095189 2.146595 2.757061 2.703778 4.270241 3.212665 2.968100 3.444544 3.798515 4.154614 4.331472 4.131170 3.136239 4.117257 4.797134 6.071888 3.183969 3.057279 2.486382 0.000000 2.963298 6.155422 5.493604 6.887287 7.513688 3.250630 5.363528 6.621664 2.750260 2.144327 1.095034 2.149312 3.322883 2.860335 4.144691 2.805017 3.433461 4.433183 4.607431 5.366250 5.466617 3.072130 2.873433 3.240187 3.931231 4.948792 2.507658 2.521100 3.053126 1.756043 0.000000 5.370113 8.262326 7.873691 7.789258 8.809819 5.393818 7.601417 7.831865 4.211955 2.828953 2.151794 1.094704 5.079077 2.165146 5.177570 2.913163 5.599751 5.816516 6.703251 6.858865 7.276264 2.871892 5.254811 5.497494 5.881110 6.630412 4.299047 2.578259 3.242071 3.047821 2.445521 0.000000 5.536758 7.770000 7.795126 6.576614 7.631428 5.368213 7.266830 6.692972 4.186186 2.702314 2.150472 1.094735 4.689846 2.141091 5.126166 3.496991 5.355924 5.042550 6.231433 5.940820 6.501437 4.112964 5.512285 6.165787 6.639529 7.647386 4.662308 2.920793 2.527286 2.557782 3.048045 1.745019 0.000000 5.402266 6.800198 7.130656 7.358470 7.772258 4.263789 6.562778 7.111615 5.304834 4.182748 2.852318 2.147220 5.305000 1.094785 6.622556 2.142501 5.377247 5.770795 5.925534 6.254675 6.343762 3.482936 4.830263 5.498787 5.582101 6.657923 5.554101 4.710446 4.266238 2.572588 3.331214 3.053166 2.415769 0.000000 6.459448 8.406860 8.489083 8.630699 9.301899 5.574899 8.058668 8.534753 6.017199 4.681213 3.482278 2.146945 6.406846 1.094865 7.198337 2.150669 6.626728 6.977339 7.389169 7.674592 7.883513 2.848983 5.904680 6.238481 6.200431 6.981582 6.161593 4.819602 4.839699 3.726335 3.813641 2.445817 2.460795 1.748235 0.000000 4.124203 6.948909 5.955994 5.090808 6.247357 6.118741 5.900319 5.187174 2.181025 3.482422 4.734908 6.003512 2.740206 7.282372 1.090621 7.626622 3.715351 3.145534 4.717924 4.291435 4.987655 7.789117 5.410744 6.034280 7.329903 8.288284 2.504190 3.695230 3.763435 4.984618 4.847671 6.157427 6.134504 7.455167 8.134624 0.000000 4.688988 8.002772 7.022496 5.984249 7.396214 6.474914 6.965714 6.244619 2.155529 2.773926 4.167190 5.138257 3.449898 6.562655 1.090317 6.997860 4.539743 4.013713 5.764181 5.357601 6.132308 6.937342 5.751431 6.173040 7.348197 8.173826 2.415155 2.472411 3.147810 4.769626 4.305480 5.029202 5.256055 6.943279 7.263419 1.760722 0.000000 4.842880 7.417515 6.853542 4.310614 5.911879 6.418785 6.524716 4.725805 2.191929 2.775772 4.236222 5.228262 2.854891 6.616209 1.091462 7.296593 4.199440 2.794482 5.150650 4.094831 5.137296 7.581435 5.952616 6.742458 7.936555 8.988770 3.055933 2.989225 2.575293 4.514127 4.719916 5.427773 5.069251 6.737415 7.342060 1.764688 1.753103 0.000000 4.107827 6.135380 5.867440 8.216951 8.409082 2.909762 5.689710 7.757390 4.958985 4.291242 2.804561 2.888725 5.052350 2.159067 6.434814 1.093711 4.677186 6.011104 5.397243 6.553630 6.302017 2.149857 3.169259 3.351169 3.213745 4.214248 4.716827 4.726686 4.923521 2.735971 2.371046 3.380322 3.832399 2.444979 3.053210 7.076481 6.672234 6.929798 0.000000 5.841769 7.455123 7.432273 9.422336 9.623402 4.419769 7.187037 9.020583 6.490021 5.570129 4.071572 3.497191 6.630315 2.139821 7.912204 1.093726 6.336125 7.453176 6.948877 7.946123 7.732053 2.144345 4.848092 4.909690 4.436021 5.119923 6.326126 5.879703 6.044337 4.046485 3.852998 3.863986 4.273483 2.441188 2.433230 8.648353 8.075245 8.307156 1.741073 0.000000 4.488234 5.932148 5.937465 2.393740 3.851457 5.574116 5.280698 2.654295 2.697144 3.177025 4.150615 5.211171 2.137414 6.302944 2.703149 7.062097 3.368232 1.080852 3.827738 2.136690 3.386582 7.759548 5.470088 6.629780 7.757256 9.039495 3.723818 3.975549 2.661996 3.883919 4.829427 5.812861 4.941477 6.069870 7.118041 3.039964 3.693065 2.154920 6.571676 7.920160 0.000000 4.550543 2.481985 3.699411 3.871523 2.408950 4.623885 2.613687 2.674060 5.416164 6.128517 6.124540 7.319815 3.903037 7.645057 6.129797 7.894842 3.404016 3.399254 2.141416 2.155066 1.080413 8.972554 5.036590 6.422990 7.294123 8.720775 5.870544 7.182524 6.029529 5.224619 6.429414 8.223292 7.371452 7.013398 8.634435 5.975681 7.186711 6.131787 7.029136 8.374721 4.283952 0.000000 5.010192 8.106569 7.353490 9.253969 9.904876 4.831758 7.396535 9.034376 4.997588 4.166027 3.136101 2.860701 5.776624 2.889098 6.169715 2.183070 5.780939 6.881906 6.895716 7.810529 7.841401 1.091701 4.494961 4.119811 4.130452 4.510337 4.549303 3.978894 4.994453 3.864793 2.467322 2.422802 3.908706 3.859158 3.317639 6.914517 5.982034 6.775666 2.507299 3.069152 7.187582 8.746645 0.000000 5.725518 8.306349 7.629002 10.415808 10.784544 4.987272 7.743869 10.047781 6.400636 5.686296 4.434975 4.129521 6.927282 3.502071 7.694277 2.168511 6.626767 8.052500 7.545817 8.790189 8.584667 1.091468 4.832815 4.220486 3.665606 3.746103 5.880796 5.657143 6.485980 4.859173 3.714478 3.923981 5.163735 4.297614 3.805905 8.351463 7.596446 8.333930 2.507505 2.453371 8.505678 9.369701 1.755204 0.000000 6.525666 9.170600 8.690043 10.291279 10.925498 5.895421 8.625641 10.104369 6.488287 5.420145 4.260681 3.391333 7.175807 2.803868 7.658527 2.173181 7.189862 8.138305 8.172401 8.985000 9.022445 1.092395 5.835550 5.518616 5.215104 5.460208 6.187286 5.234679 6.034911 4.846185 3.892581 2.963600 4.246842 3.801305 2.658735 8.487827 7.471671 8.127035 3.068781 2.536441 8.391125 9.856055 1.760831 1.758969 0.000000 2.468683 5.691903 4.043224 8.625371 8.688829 3.308254 4.709183 8.028192 4.433530 4.996243 4.484629 5.604215 4.608110 5.871289 5.562753 4.988461 3.824854 5.966504 4.750530 6.574035 6.084374 4.854722 2.188539 1.083275 2.114265 2.761654 3.492635 5.281968 6.004723 4.623707 3.501955 5.723301 6.544327 6.226571 6.820643 5.614948 5.732405 6.521284 4.131743 5.695633 6.711165 6.872153 4.330859 4.646941 5.894510 0.000000 3.946264 5.341895 4.624351 9.408155 9.093122 2.580725 4.923052 8.659870 6.140770 6.150943 4.951378 5.584116 5.927486 5.026932 7.591478 3.772574 4.936010 7.049149 5.347654 7.311706 6.569878 4.155311 2.618449 2.091299 1.085797 2.188867 5.556965 6.648674 6.952481 4.701776 4.162850 5.976106 6.542257 5.123623 5.878789 7.869447 7.914327 8.317847 2.872077 3.896860 7.892349 7.102402 4.372741 3.690474 5.179268 3.067460 0.000000 5.467512 7.124864 5.890016 11.490411 11.183865 4.834678 6.597465 10.738125 7.712311 7.913417 6.906290 7.536093 7.718311 7.096137 8.984294 5.684955 6.706950 8.978333 7.203394 9.324939 8.539276 5.454936 4.426729 3.201502 2.118780 1.092774 6.868379 8.187162 8.866759 6.898054 5.918668 7.647949 8.585055 7.413445 7.826860 9.111237 9.124582 9.881741 5.001317 5.790841 9.812118 9.065910 5.543355 4.617684 6.364858 3.516829 2.530566 0.000000 5.485801 7.728990 6.617714 11.310268 11.279369 4.846460 7.140549 10.698493 7.217683 7.122628 6.029616 6.389738 7.478532 5.911135 8.507559 4.447388 6.710211 8.761058 7.437621 9.297438 8.723112 3.923401 4.443021 3.216484 2.124153 1.092384 6.405894 7.249008 8.083055 6.213962 5.032312 6.350564 7.472438 6.415820 6.509538 8.823853 8.515313 9.365057 4.013351 4.590125 9.465034 9.380995 4.072680 2.992762 4.743547 3.535062 2.531602 1.745049 0.000000 4.850258 7.446422 5.921324 10.989243 10.976151 4.887432 6.670549 10.369669 6.697861 6.950914 6.161790 6.858888 6.992881 6.740046 7.825455 5.446448 6.190570 8.345692 6.983562 8.921202 8.338399 4.904923 4.119034 2.667103 2.151972 1.088518 5.739139 7.050441 7.989845 6.393357 5.085457 6.787160 7.926400 7.243948 7.480549 7.955294 7.812606 8.792247 4.824867 5.852375 9.069368 9.032233 4.667356 4.187912 5.812080 2.479561 3.096499 1.772633 1.773247 0.000000 C18H24N2O6 C1 1 C1 1 C1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 340.2023999999997 AuxInfo=1/0/N:9;10;11;12;13;14;15;16;17;18;19;20;21;22;23;24;25;26;7;8;1;2;3;4;5;6;27;28;29;30;31;32;33;34;35;36;37;38;39;40;41;42;43;44;45;46;47;48;49;50/rA:50nO0O0O0O0O0O0N0N0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:-.3916,1.0342,1.1474;1.5885,3.3411,-1.3979;.6532,3.464,.5202;4.8906,-1.7942,-.4769;5.2142,.1008,-1.4048;-1.1379,1.485,-.9199;1.256,2.87,-.3402;4.5541,-.6676,-.7489;.4124,-1.5996,1.8154;-.2754,-2.6399,.9206;-1.2221,-2.0492,-.1148;-1.9976,-3.1109,-.8864;1.2533,-.645,.9955;-2.7785,-2.556,-2.0769;1.2432,-2.281,2.901;-3.7375,-1.4119,-1.7546;.8245,.6459,.6866;2.4897,-1.0536,.5118;1.6404,1.4935,-.0687;3.266,-.205,-.2547;2.8583,1.0781,-.5609;-4.7794,-1.7477,-.6978;-1.3523,1.429,.2609;-2.595,1.7369,.9583;-3.6701,2.1402,.2756;-4.9756,2.4861,.8836;-.3682,-1.0272,2.3196;-.8319,-3.3192,1.5738;.485,-3.2511,.4216;-.6624,-1.4312,-.8249;-1.9296,-1.3829,.3899;-2.6729,-3.6359,-.2032;-1.301,-3.8702,-1.2559;-2.0677,-2.2097,-2.8341;-3.3393,-3.3733,-2.5418;1.7595,-1.555,3.5301;.5926,-2.8735,3.5448;1.9907,-2.9624,2.4909;-3.1711,-.5302,-1.4414;-4.2463,-1.1194,-2.6776;2.841,-2.0516,.7327;3.473,1.7455,-1.1475;-4.3313,-1.937,.2795;-5.4887,-.9278,-.5707;-5.3543,-2.6351,-.9721;-2.6162,1.6308,2.0362;-3.6041,2.2365,-.8039;-5.2352,3.5201,.6437;-5.7692,1.8694,.4556;-4.9831,2.3662,1.9655; 0.2569179 0.1442695 0.1128170 -19.20235 -19.18251 -19.18136 -19.17840 -19.17821 -19.13232 -14.57930 -14.57587 -10.32621 -10.28515 -10.26050 -10.25337 -10.22448 -10.21621 -10.21503 -10.20441 -10.18569 -10.18504 -10.16928 -10.16231 -10.15781 -10.15379 -10.15230 -10.15221 -10.15146 -10.14728 -1.27913 -1.27535 -1.15343 -1.10014 -1.09638 -1.05966 -0.92823 -0.85837 -0.84899 -0.82395 -0.80625 -0.78498 -0.75878 -0.74934 -0.73644 -0.71401 -0.69984 -0.66348 -0.65727 -0.64235 -0.61007 -0.60371 -0.59507 -0.58289 -0.57131 -0.57073 -0.56668 -0.55531 -0.55209 -0.54688 -0.54216 -0.53505 -0.52244 -0.51570 -0.48349 -0.47918 -0.46881 -0.45793 -0.45295 -0.44564 -0.43820 -0.43273 -0.42588 -0.42214 -0.41689 -0.41323 -0.40212 -0.39233 -0.38815 -0.37997 -0.37633 -0.37114 -0.36512 -0.36426 -0.35372 -0.34593 -0.34472 -0.34183 -0.34108 -0.33577 -0.33340 -0.32972 -0.32671 -0.32265 -0.31470 -0.31135 -0.30862 -0.30411 -0.29485 -0.28444 -0.27765 -0.11534 -0.10710 -0.06319 -0.03551 -0.01271 0.00342 0.01107 0.01433 0.01662 0.02622 0.02947 0.03450 0.03544 0.03578 0.04425 0.04829 0.05252 0.05436 0.05926 0.06427 0.06547 0.06979 0.07171 0.07528 0.08015 0.08233 0.08447 0.08597 0.09030 0.09129 0.09281 0.10154 0.10454 0.10866 0.10976 0.11182 0.11626 0.11766 0.12200 0.12264 0.12575 0.12818 0.13054 0.13260 0.13826 0.13954 0.14486 0.14577 0.15151 0.15266 0.15715 0.16043 0.16234 0.16359 0.16516 0.17058 0.17232 0.17747 0.17889 0.17983 0.18354 0.18717 0.18856 0.19050 0.19551 0.19682 0.19793 0.19853 0.19895 0.20294 0.20600 0.20826 0.21101 0.21285 0.21668 0.21841 0.21981 0.22340 0.22674 0.22977 0.23039 0.23188 0.23384 0.23473 0.23940 0.24287 0.24516 0.24715 0.25002 0.25105 0.25292 0.25514 0.25961 0.26015 0.26474 0.26834 0.26959 0.27125 0.27361 0.27555 0.28086 0.28181 0.28723 0.28819 0.29344 0.29519 0.30023 0.30209 0.30426 0.30585 0.30850 0.31183 0.31598 0.31872 0.32026 0.32523 0.32571 0.32981 0.33078 0.33383 0.33526 0.34206 0.34544 0.34972 0.35276 0.35765 0.36233 0.36397 0.37078 0.37189 0.37548 0.38272 0.38479 0.39043 0.39191 0.39518 0.39675 0.40214 0.40527 0.41169 0.41229 0.41637 0.41799 0.42737 0.43283 0.43415 0.44393 0.44960 0.45120 0.45343 0.45718 0.46094 0.46679 0.47485 0.47873 0.48475 0.48737 0.49161 0.49306 0.49980 0.50559 0.51103 0.52667 0.52821 0.53071 0.53391 0.54133 0.54661 0.55249 0.56168 0.57280 0.57807 0.58089 0.58760 0.58928 0.59419 0.59658 0.60859 0.61793 0.62152 0.63165 0.63934 0.64143 0.64484 0.65125 0.65271 0.65581 0.65987 0.66785 0.67049 0.67379 0.67584 0.67967 0.68174 0.68643 0.69560 0.69915 0.70455 0.70711 0.71122 0.71370 0.71856 0.72190 0.72326 0.72545 0.73250 0.73414 0.73879 0.74304 0.74940 0.75304 0.75698 0.75930 0.76212 0.76744 0.77528 0.79040 0.79336 0.79750 0.79857 0.81177 0.81281 0.82098 0.83560 0.83900 0.84406 0.84653 0.85215 0.86090 0.86374 0.86701 0.88235 0.89056 0.89751 0.90369 0.90684 0.91735 0.92380 0.93288 0.93709 0.93826 0.95129 0.96417 0.96621 0.97123 0.98167 0.98347 0.99901 1.00588 1.01045 1.01857 1.02726 1.03088 1.04106 1.05262 1.05876 1.06012 1.06781 1.07315 1.08291 1.08919 1.10101 1.10529 1.10778 1.11983 1.12740 1.13550 1.14132 1.15688 1.16860 1.16965 1.17992 1.18348 1.18916 1.19479 1.20844 1.21467 1.21995 1.22662 1.23698 1.24654 1.24994 1.25676 1.27036 1.27868 1.28125 1.28591 1.29672 1.30608 1.31630 1.33072 1.33655 1.35863 1.36519 1.37325 1.37963 1.39435 1.39607 1.40584 1.41792 1.42884 1.44423 1.45643 1.46212 1.47684 1.48207 1.49253 1.49448 1.49829 1.51669 1.52338 1.52985 1.53268 1.54720 1.55545 1.56104 1.56594 1.57235 1.57398 1.58037 1.58148 1.58393 1.59129 1.59598 1.60174 1.60500 1.61356 1.62426 1.62594 1.62949 1.63409 1.64280 1.65233 1.65551 1.65789 1.66775 1.67466 1.68271 1.68325 1.69021 1.69374 1.70367 1.71451 1.72158 1.72767 1.72943 1.73551 1.73939 1.74636 1.75434 1.76027 1.76548 1.77324 1.77447 1.78277 1.78424 1.79329 1.79604 1.80793 1.81857 1.83020 1.83726 1.84341 1.85058 1.86228 1.86277 1.87423 1.87928 1.88570 1.89163 1.89996 1.90911 1.92025 1.93269 1.94563 1.95614 1.96733 1.97017 1.97839 1.99389 2.00789 2.01354 2.01622 2.02088 2.02999 2.04186 2.05518 2.06352 2.07865 2.08249 2.09460 2.11555 2.11736 2.12590 2.13627 2.15003 2.16354 2.16882 2.17911 2.18891 2.20544 2.21596 2.22259 2.23789 2.24846 2.26078 2.26616 2.26940 2.28241 2.28870 2.29664 2.30923 2.32676 2.33102 2.34104 2.35038 2.36367 2.37198 2.37615 2.38380 2.38873 2.41025 2.41291 2.43070 2.44092 2.45522 2.46119 2.46983 2.47451 2.49188 2.50214 2.51239 2.52934 2.53226 2.54038 2.55140 2.55415 2.56229 2.57197 2.57599 2.57957 2.58807 2.59268 2.60101 2.60685 2.62380 2.62858 2.64436 2.64847 2.65322 2.66476 2.68008 2.68315 2.68662 2.69313 2.70655 2.71901 2.72283 2.72905 2.73839 2.74286 2.74720 2.75558 2.76267 2.76411 2.77659 2.78470 2.80148 2.80602 2.81665 2.81933 2.82652 2.83202 2.84278 2.84629 2.84951 2.85874 2.86238 2.87298 2.87953 2.88323 2.89550 2.89991 2.90406 2.90941 2.91949 2.93052 2.93679 2.94913 2.95698 2.96153 2.98387 2.99029 3.01063 3.02257 3.03433 3.04099 3.05639 3.06770 3.09156 3.09585 3.10813 3.11509 3.12071 3.12967 3.14670 3.20101 3.20880 3.21768 3.23831 3.24115 3.25969 3.29105 3.29843 3.30926 3.32064 3.34572 3.34795 3.38188 3.39127 3.39206 3.39883 3.42518 3.42830 3.47411 3.49984 3.52175 3.56593 3.57072 3.59227 3.62150 3.66646 3.67165 3.71462 3.72495 3.75042 3.78627 3.79743 3.79917 3.80493 3.81162 3.81710 3.82385 3.82961 3.83599 3.84881 3.85402 3.86789 3.87253 3.87721 3.89272 3.91196 3.92854 3.96925 4.07388 4.10438 4.12342 4.14399 4.15649 4.20397 4.22819 4.24842 4.28873 4.37132 4.39523 4.42875 4.44421 4.53337 4.56292 4.73389 4.78130 4.85312 4.98546 5.00686 5.04196 5.08558 5.09867 5.11189 5.15389 5.17134 5.18101 5.23061 5.31186 5.44692 5.70402 5.77034 5.78934 5.98748 6.27213 6.28557 23.55201 23.77105 23.86579 23.87975 23.90330 23.92688 23.93345 23.95025 23.95318 23.97344 23.97631 23.98532 24.00196 24.02235 24.04707 24.09386 24.17571 24.23788 35.42602 35.45601 49.88669 49.89579 49.97734 50.00189 50.01484 50.04451 1-A. -7.4288 -3.4813 5.3480 9.7932 -164.0253 -169.6282 -158.1291 -5.6359 6.3453 1.9942 -0.0978 -5.7007 5.7985 -5.6359 6.3453 1.9942 -255.0998 -38.2147 11.8193 -37.0268 107.4717 62.7889 -6.4961 -8.0886 18.6306 -7.9516 -8731.0176 -4268.6910 -1527.7025 -36.9677 227.6180 -119.1224 11.2967 -49.7848 -1.0132 -1930.7470 -1622.5077 -946.3536 9.5199 6.5275 -33.5017 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 340.2023999999997 AuxInfo=1/0/N:9;10;11;12;13;14;15;16;17;18;19;20;21;22;23;24;25;26;7;8;1;2;3;4;5;6;27;28;29;30;31;32;33;34;35;36;37;38;39;40;41;42;43;44;45;46;47;48;49;50/rA:50nO0O0O0O0O0O0N0N0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:-.471,.8027,1.2827;1.4208,3.4669,-1.0432;.5039,3.3617,.9159;4.8959,-1.6943,-.7509;5.1839,.343,-1.4203;-1.2943,1.5009,-.7167;1.1163,2.8652,-.0218;4.5259,-.5297,-.8631;.3842,-1.873,1.5932;-.3061,-2.7834,.5512;-1.2657,-2.0457,-.3851;-2.0587,-2.9803,-1.3023;1.2272,-.8082,.9084;-2.8902,-2.2442,-2.3656;1.2059,-2.6979,2.5951;-3.8573,-1.1786,-1.8239;.7604,.5073,.7579;2.4732,-1.1242,.3688;1.5481,1.4645,.097;3.2196,-.1601,-.2988;2.7771,1.144,-.4526;-4.8656,-1.7082,-.8009;-1.4891,1.2642,.4509;-2.7311,1.3669,1.2089;-3.8666,1.7513,.6095;-5.1883,1.8618,1.2809;-.4008,-1.3597,2.1516;-.8565,-3.5553,1.1019;.4628,-3.3035,-.0341;-.7086,-1.3277,-.9982;-1.9634,-1.4571,.2202;-2.7111,-3.6148,-.6903;-1.3656,-3.6611,-1.812;-2.2064,-1.7625,-3.0757;-3.4607,-2.9849,-2.9403;1.7208,-2.0542,3.3139;.5416,-3.3644,3.1519;1.9543,-3.3213,2.0976;-3.2862,-.3572,-1.3798;-4.4,-.7437,-2.6714;2.8629,-2.1289,.4513;3.366,1.8905,-.9653;-4.3736,-2.0502,.1146;-5.5824,-.9318,-.5162;-5.4346,-2.5525,-1.2064;-2.6933,1.0999,2.2584;-3.8315,2.0005,-.4486;-5.5659,2.8878,1.1974;-5.9204,1.224,.7721;-5.1454,1.5831,2.3357; 0.000000 4.010784 0.000000 2.762826 2.165608 0.000000 6.258941 6.228962 6.901567 0.000000 6.284533 4.905307 6.039317 2.163700 0.000000 2.272199 3.368013 3.059655 6.966259 6.618343 0.000000 2.911211 1.223867 1.225151 5.967093 4.986249 2.855714 0.000000 5.598949 5.064320 5.872370 1.227048 1.226898 6.165950 4.884529 0.000000 2.826152 6.044810 5.279687 5.087528 6.085195 4.419935 5.059154 4.999127 0.000000 3.663700 6.677643 6.208990 5.471983 6.618262 4.575957 5.853086 5.516056 1.546290 0.000000 3.395142 6.167655 5.836493 6.182486 6.955244 3.562212 5.470240 6.005759 2.581779 1.530280 0.000000 4.849178 7.330844 7.190875 7.093977 7.969549 4.583514 6.774261 7.039512 3.946822 2.558480 1.530838 0.000000 2.370435 4.703433 4.232147 4.122846 4.733216 3.785567 3.790950 3.754533 1.521061 2.525911 3.069115 4.516918 0.000000 5.333522 7.276722 7.329007 7.970778 8.531028 4.392209 6.903003 7.758555 5.150838 3.933974 2.569170 1.537513 5.452913 0.000000 4.097435 7.161600 6.327055 5.081276 6.418358 5.903315 6.148578 5.261356 1.536117 2.543813 3.926327 5.091860 2.533130 6.449234 0.000000 5.004421 7.074596 6.865977 8.833859 9.177296 3.869771 6.658638 8.463028 5.490800 4.563761 3.088450 2.598730 5.784067 1.537616 6.890026 0.000000 1.370773 3.526994 2.870315 4.921976 4.933459 2.717273 2.508927 4.228664 2.550452 3.465342 3.453908 4.935078 1.403867 5.536586 3.721138 5.552631 0.000000 3.635419 4.917234 4.929566 2.729182 3.563913 4.718360 4.231891 2.466624 2.534563 3.242024 3.923909 5.174525 1.394076 6.123499 3.006529 6.699743 2.397195 0.000000 2.433186 2.307744 2.315236 4.680308 4.096269 2.956713 1.470533 3.710283 3.838277 4.657156 4.524558 5.892640 2.434418 6.286247 4.866594 6.316200 1.404852 2.762440 0.000000 4.128991 4.116470 4.610221 2.316918 2.317217 4.827898 3.695042 1.470154 3.814871 4.475986 4.866307 6.068008 2.418001 6.778242 4.343952 7.310709 2.758558 1.390009 2.364367 0.000000 3.698324 2.753908 3.458101 3.554516 2.714951 4.095461 2.430267 2.455264 4.360484 5.092960 5.150071 6.412234 2.839956 6.874402 5.149541 7.161749 2.436759 2.431408 1.383924 1.385767 0.000000 5.473521 8.146186 7.581789 9.761684 10.275424 4.802107 7.570141 9.465353 5.772267 4.875827 3.639524 3.122250 6.391765 2.576370 7.026818 1.530850 6.244254 7.454363 7.211648 8.247393 8.165011 0.000000 1.393377 3.943610 2.930500 7.139075 6.991415 1.207219 3.094368 6.412907 3.828332 4.218180 3.421215 4.627563 3.447129 4.712187 5.249715 4.092761 2.393279 4.627230 3.064309 4.976260 4.362503 4.669396 0.000000 2.330708 5.169174 3.811870 8.448916 8.402930 2.406331 4.308417 7.781689 4.511093 4.851686 4.041606 5.065249 4.526598 5.083525 5.826261 4.116519 3.624011 5.830652 4.422379 6.325853 5.757665 4.248752 1.458627 0.000000 3.589383 5.799309 4.667860 9.513446 9.381694 2.904951 5.144840 8.820781 5.672081 5.765820 4.708673 5.414048 5.708571 5.076269 7.033441 3.808654 4.793693 6.965622 5.446467 7.395511 6.755437 3.867247 2.432065 1.340278 0.000000 4.834786 7.187414 5.897833 10.884231 10.825298 4.391437 6.515582 10.231427 6.715550 6.778398 5.781982 6.317726 6.958939 5.952942 7.962690 4.544824 6.123398 8.273265 6.851177 8.790742 8.183407 4.145270 3.837973 2.507556 1.486573 0.000000 2.331478 6.068000 4.963525 6.049147 6.844478 4.148261 4.987489 5.835165 1.091564 2.144122 2.766505 4.159836 2.121389 5.232993 2.137600 5.271111 2.603097 3.390256 3.999447 4.533288 4.811378 5.364064 3.310799 3.708560 4.905916 5.835739 0.000000 4.378781 7.687602 7.051967 6.323564 7.618770 5.391089 6.810137 6.479626 2.147300 1.096396 2.158079 2.748756 3.453462 4.228238 2.686758 4.818017 4.386021 4.187497 5.656024 5.486720 6.140310 4.806741 4.904241 5.268185 6.120695 6.938356 2.475958 0.000000 4.412178 6.911984 6.732750 4.770399 6.124415 5.160978 6.203309 4.989006 2.168116 1.097362 2.166302 2.840838 2.774828 4.219044 2.798534 5.136326 3.903601 2.992314 4.891791 4.189434 5.031126 5.614667 4.990957 5.793040 6.686505 7.768175 3.049862 1.759091 0.000000 3.130140 5.246390 5.208111 5.621977 6.139322 2.902225 4.675896 5.296695 2.864811 2.163816 1.096324 2.155557 2.766341 2.732932 4.295972 3.258580 2.934130 3.469030 3.753451 4.157318 4.307783 4.179038 3.070367 4.027748 4.694456 5.952726 3.164999 3.065097 2.491159 0.000000 2.909149 6.106988 5.458256 6.931819 7.550907 3.174170 5.312802 6.644133 2.751209 2.148361 1.095317 2.155759 3.327907 2.857415 4.150243 2.800506 3.401049 4.451574 4.569639 5.367983 5.448934 3.086832 2.771963 3.089012 3.750685 4.747641 2.486237 2.530781 3.059466 1.753837 0.000000 5.331585 8.206619 7.847815 7.845970 8.861649 5.308362 7.555595 7.869027 4.222445 2.831400 2.155079 1.096701 5.093498 2.171923 5.194023 2.921275 5.580359 5.848258 6.675336 6.874700 7.267965 2.879091 5.157587 5.331522 5.640918 6.325777 4.301111 2.579700 3.255901 3.055474 2.458425 0.000000 5.504873 7.691865 7.762538 6.648403 7.686544 5.277436 7.208192 6.739124 4.225442 2.734535 2.157653 1.097107 4.718336 2.153740 5.192592 3.517353 5.338532 5.091997 6.197261 5.964138 6.488401 4.133531 5.421738 6.022601 6.435311 7.394721 4.683746 2.959886 2.575197 2.557139 3.056959 1.752330 0.000000 5.346749 6.680914 7.038182 7.473461 7.860680 4.128719 6.463904 7.193004 5.340596 4.219979 2.864354 2.156417 5.345426 1.097228 6.684117 2.152562 5.352610 5.845574 5.880082 6.302408 6.337456 3.499845 4.702385 5.331599 5.355700 6.403687 5.545000 4.742225 4.330229 2.597745 3.318953 3.062050 2.430849 0.000000 6.412361 8.309896 8.418300 8.734556 9.386945 5.455274 7.980619 8.609781 6.047475 4.709888 3.497008 2.156123 6.444168 1.097451 7.245740 2.160152 6.609829 7.044403 7.355950 7.719023 7.883295 2.860159 5.782941 6.056906 5.932722 6.655341 6.158866 4.842140 4.892974 3.753926 3.816401 2.453823 2.473849 1.756674 0.000000 4.134223 7.039697 6.046791 5.170509 6.336656 6.162404 5.974425 5.257348 2.186365 3.503167 4.754128 6.037455 2.753705 7.318030 1.093627 7.634052 3.743873 3.178832 4.770776 4.345781 5.052876 7.773791 5.432527 5.996264 7.281152 8.197788 2.516855 3.713313 3.788454 5.002449 4.847745 6.173372 6.195352 7.505665 8.174891 0.000000 4.678063 8.064658 7.088126 6.081257 7.496754 6.481347 7.015070 6.326898 2.163043 2.796410 4.185210 5.171951 3.469580 6.593578 1.093413 6.991936 4.557279 4.061476 5.802086 5.417234 6.189992 6.899719 5.730923 6.072229 7.215753 7.977825 2.430611 2.488788 3.187587 4.789099 4.302085 5.040418 5.325977 6.992963 7.299189 1.770045 0.000000 4.853176 7.498581 6.939914 4.406199 6.019421 6.459606 6.592955 4.813652 2.194809 2.790989 4.261326 5.270564 2.873783 6.674474 1.093676 7.330994 4.228200 2.843487 5.203029 4.163727 5.207656 7.583786 5.966186 6.687473 7.863110 8.862709 3.065509 2.991125 2.601708 4.544186 4.727350 5.442797 5.140188 6.819386 7.403733 1.771830 1.763261 0.000000 4.044781 6.074054 5.784988 8.314517 8.499155 2.803637 5.622357 7.831102 4.960649 4.300757 2.814781 2.897157 5.080409 2.165461 6.438812 1.094553 4.657545 6.067692 5.373099 6.597992 6.314847 2.157473 3.034847 3.159442 2.956363 3.952401 4.669170 4.721187 4.954453 2.780542 2.349385 3.379052 3.845957 2.452909 3.061058 7.069706 6.650722 6.952736 0.000000 5.784794 7.366299 7.332896 9.539726 9.726128 4.301698 7.104515 9.109743 6.507734 5.595199 4.092245 3.515547 6.669704 2.150501 7.936124 1.096370 6.321015 7.525194 6.922394 8.001766 7.745762 2.155461 4.717398 4.721903 4.156170 4.799061 6.295583 5.890598 6.095484 4.094735 3.848062 3.875664 4.296266 2.452178 2.444912 8.660576 8.074619 8.352493 1.748740 0.000000 4.516619 5.968743 5.993924 2.401597 3.873056 5.641008 5.311803 2.655258 2.741036 3.237349 4.213246 5.293526 2.151382 6.406688 2.768589 7.158242 3.385760 1.080780 3.842754 2.136786 3.396521 7.840542 5.518415 6.639830 7.769613 9.024138 3.759547 4.036324 2.715867 3.936819 4.878271 5.880502 5.034889 6.186397 7.226557 3.082922 3.769355 2.226569 6.656045 8.026159 0.000000 4.578092 2.504951 3.727614 3.903523 2.430370 4.683087 2.627009 2.685798 5.440690 6.134268 6.105988 7.298316 3.920166 7.628637 6.196459 7.895131 3.416408 3.415421 2.148189 2.161209 1.080224 8.985376 5.096085 6.494307 7.403393 8.844359 5.870891 7.194430 6.022799 5.192297 6.404248 8.204583 7.343399 6.989229 8.618206 6.048108 7.248637 6.207830 7.033928 8.376153 4.291316 0.000000 4.973387 8.084226 7.329467 9.316690 9.971467 4.773239 7.370176 9.081242 4.985418 4.156126 3.147847 2.869084 5.791595 2.896445 6.140379 2.187169 5.771743 6.913851 6.886222 7.835848 7.852224 1.094117 4.406678 3.946138 3.866947 4.162638 4.517694 3.950943 4.998365 3.897790 2.484365 2.420720 3.918542 3.867494 3.322550 6.883128 5.925581 6.752055 2.506314 3.077256 7.244743 8.751959 0.000000 5.689612 8.286845 7.584740 10.508690 10.879185 4.934218 7.715879 10.122247 6.398098 5.692793 4.460065 4.151058 6.958178 3.520047 7.673423 2.178716 6.627669 8.106378 7.547326 8.838466 8.613610 1.094432 4.744765 4.048428 3.377867 3.344989 5.843737 5.642239 6.511675 4.913559 3.730351 3.933636 5.187485 4.317233 3.820096 8.322637 7.541677 8.327260 2.519587 2.465461 8.584392 9.393658 1.763491 0.000000 6.487759 9.124516 8.645683 10.376106 11.008280 5.814822 8.583084 10.169578 6.492884 5.426265 4.279129 3.404254 7.203823 2.812922 7.653070 2.180911 7.183243 8.188683 8.160436 9.024533 9.036806 1.095882 5.734180 5.338943 4.927347 5.072823 6.167502 5.224204 6.059458 4.886542 3.909511 2.968540 4.260549 3.813048 2.662584 8.478256 7.441087 8.130348 3.076451 2.547236 8.472009 9.861449 1.767208 1.767778 0.000000 2.445277 5.781835 4.140089 8.629083 8.726827 3.312057 4.778025 8.032235 4.330335 4.867641 4.349896 5.452507 4.564471 5.709931 5.453563 4.817868 3.812000 5.933848 4.774353 6.564315 6.105518 4.686586 2.178115 1.083660 2.126007 2.785826 3.364015 5.136370 5.882782 4.520863 3.350437 5.560942 6.403028 6.073160 6.655915 5.526952 5.585107 6.416639 3.963774 5.533077 6.675490 6.908908 4.164451 4.491453 5.732356 0.000000 3.965520 5.485542 4.744535 9.482165 9.217909 2.599860 5.040938 8.741871 6.078218 6.026124 4.791604 5.355412 5.943141 4.751679 7.530944 3.463954 4.977092 7.083866 5.433679 7.376265 6.663872 3.866290 2.614956 2.087899 1.087581 2.202584 5.460875 6.490075 6.837069 4.596877 3.986489 5.731103 6.324065 4.868533 5.585711 7.837417 7.801928 8.263147 2.592961 3.576963 7.916827 7.216866 4.125414 3.415908 4.886095 3.071535 0.000000 5.505712 7.360006 6.094746 11.586243 11.352828 4.882031 6.792565 10.852135 7.630499 7.761803 6.733166 7.278993 7.738857 6.796438 8.888811 5.346316 6.773641 9.022702 7.337906 9.418774 8.681491 5.060357 4.451184 3.216958 2.127124 1.096454 6.754916 7.981221 8.728892 6.795872 5.728059 7.348269 8.341896 7.153351 7.486036 9.055286 8.956070 9.793634 4.729592 5.432752 9.837021 9.243921 5.193993 4.186390 5.949165 3.545921 2.550411 0.000000 5.489468 7.887890 6.772113 11.306123 11.352883 4.867657 7.269033 10.717907 7.071971 6.901346 5.804845 6.073885 7.432130 5.572728 8.336020 4.094835 6.719149 8.725169 7.502738 9.306008 8.783611 3.490692 4.443035 3.222169 2.126553 1.096155 6.248505 6.970842 7.867205 6.066907 4.811483 5.987670 7.161556 6.125179 6.127512 8.694528 8.274933 9.188390 3.750935 4.247467 9.406894 9.470949 3.680365 2.534029 4.290991 3.555039 2.540893 1.753486 0.000000 4.854745 7.621089 6.090476 11.004449 11.060793 4.914827 6.812583 10.403399 6.562973 6.758003 5.968567 6.602128 6.954603 6.468117 7.663858 5.156401 6.206941 8.321170 7.058958 8.941673 8.410336 4.555193 4.125841 2.673069 2.154836 1.091767 5.586173 6.805890 7.806877 6.266833 4.882981 6.488555 7.680670 7.008139 7.179216 7.831490 7.582014 8.632257 4.585465 5.571436 9.025665 9.134290 4.327829 3.827410 5.452877 2.500441 3.106867 1.781698 1.781678 0.000000 C18H24N2O6 C1 1 C1 1 C1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 340.2023999999997 AuxInfo=1/0/N:9;10;11;12;13;14;15;16;17;18;19;20;21;22;23;24;25;26;7;8;1;2;3;4;5;6;27;28;29;30;31;32;33;34;35;36;37;38;39;40;41;42;43;44;45;46;47;48;49;50/rA:50nO0O0O0O0O0O0N0N0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:-.3766,1.0089,1.1754;1.6252,3.3601,-1.3841;.6766,3.4875,.5585;4.9461,-1.833,-.488;5.3023,.1135,-1.363;-1.1497,1.5136,-.9008;1.2884,2.8783,-.3107;4.6113,-.6773,-.7287;.3967,-1.641,1.7812;-.3038,-2.6376,.8288;-1.2279,-1.9776,-.197;-2.0336,-2.9822,-1.0245;1.2801,-.6777,1.0032;-2.8278,-2.3406,-2.1741;1.1795,-2.3772,2.8789;-3.7719,-1.198,-1.765;.8535,.6265,.7067;2.5243,-1.0825,.5221;1.678,1.4869,-.0373;3.3079,-.215,-.2299;2.9053,1.077,-.5281;-4.81,-1.589,-.7101;-1.3686,1.4071,.2816;-2.6183,1.6229,1.0023;-3.7333,1.9721,.3456;-5.0611,2.1886,.978;-.3815,-1.0505,2.2683;-.8844,-3.3318,1.4478;.4584,-3.2373,.3153;-.6414,-1.3437,-.8723;-1.9173,-1.3096,.3305;-2.713,-3.5306,-.3609;-1.3529,-3.7316,-1.4473;-2.12,-1.9553,-2.9188;-3.4107,-3.1222,-2.6777;1.7018,-1.6752,3.535;.4881,-2.9628,3.491;1.9169,-3.0696,2.4632;-3.1841,-.3499,-1.3998;-4.2892,-.8407,-2.6632;2.8837,-2.083,.717;3.5229,1.7489,-1.106;-4.3417,-1.8453,.245;-5.5084,-.7677,-.5216;-5.3969,-2.4558,-1.0345;-2.6038,1.4675,2.0746;-3.6753,2.1069,-.732;-5.4078,3.2098,.7802;-5.8035,1.5206,.5262;-5.0419,2.0221,2.0569; 0.2645891 0.1407816 0.1124364 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= 732 732 732 732 732 MxSgAt= 50 MxSgA2= 50. NPDir=0 NMtPBC= 1 NCelOv= 1 NCel= 1 NClECP= 1 NCelD= 1 NCelK= 1 NCelE2= 1 NClLst= 1 CellRange= 0.0. One-electron integrals computed using PRISM. One-electron integral symmetry used in STVInt NBasis= 716 RedAO= T EigKep= 1.04D-06 NBF= 716 NBsUse= 713 1.00D-06 EigRej= 6.81D-07 NBFU= 713 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= 731 731 731 731 731 MxSgAt= 50 MxSgA2= 50. 1 -2.92272115e+00 -1.36963819e+00 2.10404708e+00 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 50 8 8 8 8 8 8 7 7 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 -0.000579548 -0.003893489 0.013134215 0.006700805 0.016449400 -0.023940427 -0.014263630 0.012821471 0.022338313 0.010888249 -0.028993338 0.001873781 0.017587930 0.021210083 -0.014490477 0.001659512 0.002568984 -0.014945124 0.004700247 -0.016231105 0.000577972 -0.016782900 0.004679208 0.007277951 -0.001370059 0.000300433 0.002340167 -0.001131868 -0.002989076 -0.000879304 -0.001302031 0.001636729 -0.000206717 0.000753390 -0.002592195 -0.000208081 0.000882939 -0.001775695 0.001909445 0.000356634 -0.000915906 -0.003159260 0.002130274 -0.002747865 0.003684537 -0.000421876 0.003785718 -0.000902871 0.005358052 -0.002403209 -0.001419481 0.000342621 -0.005948966 0.001487244 0.002752386 -0.004692262 -0.000151142 -0.005368814 0.001817267 0.002088580 0.003469762 0.003966481 -0.002674875 -0.002602199 -0.000416314 0.002750872 -0.012269715 0.002017229 0.004647646 0.000618710 -0.000478228 0.001800456 -0.002715766 0.000999387 -0.001410749 -0.001920086 0.000240432 0.001302947 -0.000475310 0.001792217 -0.001045289 -0.000815350 -0.001018556 0.000760815 0.001454432 0.000026492 -0.000480165 0.000524697 0.001089693 0.000109096 0.000277336 0.001121298 0.000138582 -0.000984446 -0.000404747 0.001047459 0.001358935 -0.001019577 -0.000602529 0.001334283 0.000849720 -0.000920236 -0.001273797 -0.001283920 -0.000750724 0.000942112 0.001687164 0.001102073 -0.001670100 -0.001266100 0.001076873 0.000706993 -0.000781371 -0.001070179 0.000926372 0.000692926 0.000846156 -0.001032511 0.000597906 -0.001544723 0.001218065 0.000899790 -0.001185359 -0.000212764 -0.000062350 -0.000004729 0.001327767 -0.000545557 0.001135840 -0.001372970 0.001794261 0.000471506 -0.000903551 -0.001982246 -0.001104267 0.001514595 -0.000615902 0.000248236 0.001425775 -0.000251268 -0.001339337 -0.000642093 0.002484020 -0.000340311 -0.001626291 -0.001463497 -0.001512516 0.000524802 -0.000755569 0.002138114 0.028993338 0.005951611 (Enter /usr/local/gaussian/gaussian16/g16/l716.exe) Closed 1 1 1 -1261.45935424405 -1261.45935718044 -0.000002936385 -1261.45935721352 -0.000000033088 -1261.45935721301 0.000000000515 -1261.45935722155 -0.000000008537 -1261.45935722191 -0.000000000368 -1261.45935722207 -0.000000000154 -1261.45935722228 -0.000000000211 -1261.45935722223 0.000000000049 -1261.45935722203 0.000000000201 -1261.45935722 10 1.256379011305e+03 -7.917053659109e+03 2.912075562531e+03 Using DIIS extrapolation, IDIIS= 1040. NGot= 4246732800 LenX= 4245605578 LenY= 4245054272 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) PT324813.700S 2022-06-17T18:32:58.000 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 47 48 49 50 O O O O O O N N 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 0.129913 -0.019912 0.044631 -0.051511 -0.048344 -0.174945 -0.210370 -0.168694 0.234996 -0.379952 -0.159742 -0.407185 1.327039 -0.536662 -0.693545 -0.083168 0.189730 -0.828642 0.237722 -0.272267 -0.151134 -0.568858 -0.719294 -0.122209 0.226501 -0.767929 0.179398 0.159338 0.172281 0.183276 0.179335 0.160522 0.151661 0.151962 0.145973 0.159344 0.160988 0.166946 0.148852 0.136691 0.192478 0.208244 0.146058 0.143317 0.143608 0.174781 0.186878 0.182622 0.175991 0.163288 -0.00000 -19.20044 -19.18503 -19.18418 -19.18115 -19.18100 -19.13629 -14.57966 -14.57617 -10.32929 -10.28866 -10.26588 -10.25878 -10.22814 -10.21996 -10.21860 -10.20740 -10.18832 -10.18717 -10.17180 -10.16456 -10.15970 -10.15560 -10.15449 -10.15392 -10.15367 -10.14908 -1.26297 -1.25835 -1.14122 -1.08787 -1.08326 -1.05715 -0.92513 -0.85419 -0.84563 -0.82335 -0.80319 -0.78175 -0.75514 -0.74715 -0.73596 -0.71355 -0.69841 -0.66245 -0.65502 -0.64136 -0.61011 -0.60291 -0.59349 -0.57791 -0.56713 -0.56473 -0.56091 -0.55203 -0.54941 -0.54691 -0.53944 -0.53403 -0.51908 -0.51226 -0.48239 -0.47907 -0.46800 -0.45630 -0.45118 -0.44483 -0.43788 -0.43128 -0.42505 -0.42300 -0.41610 -0.41188 -0.40200 -0.39326 -0.38724 -0.37912 -0.37668 -0.37211 -0.36475 -0.36358 -0.35345 -0.34418 -0.34289 -0.34182 -0.34065 -0.33567 -0.33367 -0.32972 -0.32698 -0.32245 -0.31592 -0.31166 -0.30859 -0.30434 -0.29587 -0.28498 -0.27789 -0.12067 -0.11345 -0.06690 -0.03941 -0.01854 0.00341 0.01105 0.01432 0.01683 0.02588 0.02891 0.03426 0.03485 0.03570 0.04343 0.04852 0.05196 0.05346 0.05856 0.06403 0.06657 0.06924 0.07111 0.07456 0.07987 0.08173 0.08389 0.08691 0.08851 0.09030 0.09464 0.10012 0.10434 0.10658 0.10910 0.11043 0.11479 0.11650 0.12085 0.12281 0.12577 0.12695 0.13002 0.13326 0.13694 0.13864 0.14249 0.14506 0.15059 0.15196 0.15478 0.15973 0.16108 0.16357 0.16455 0.16985 0.17368 0.17502 0.17730 0.17798 0.18077 0.18504 0.18752 0.18861 0.19352 0.19364 0.19673 0.19796 0.19859 0.20091 0.20376 0.20635 0.21107 0.21129 0.21483 0.21824 0.22000 0.22157 0.22437 0.22962 0.22973 0.23132 0.23275 0.23329 0.23728 0.23958 0.24333 0.24446 0.24905 0.25006 0.25123 0.25253 0.25478 0.25855 0.26309 0.26470 0.26796 0.26878 0.27126 0.27335 0.27757 0.28140 0.28330 0.28588 0.28947 0.29374 0.29743 0.29776 0.30031 0.30296 0.30601 0.30748 0.31005 0.31592 0.31678 0.32033 0.32226 0.32566 0.32778 0.32903 0.33492 0.33809 0.34040 0.34501 0.34701 0.35415 0.35474 0.35974 0.36557 0.36866 0.37104 0.37865 0.38235 0.38772 0.38864 0.39476 0.39578 0.39951 0.40471 0.40866 0.41046 0.41620 0.41949 0.42445 0.43022 0.43257 0.44088 0.44458 0.44816 0.45289 0.45594 0.45828 0.46599 0.47076 0.47255 0.47854 0.48648 0.49011 0.49528 0.49784 0.50097 0.51318 0.52351 0.52503 0.52607 0.52931 0.53871 0.54674 0.55164 0.55965 0.56882 0.57661 0.57699 0.58559 0.58739 0.58896 0.59406 0.60788 0.61481 0.62446 0.63174 0.63639 0.63901 0.64227 0.64618 0.64957 0.65179 0.65611 0.66505 0.66737 0.67390 0.67525 0.68035 0.68238 0.68634 0.69323 0.70102 0.70221 0.70701 0.70914 0.71238 0.71594 0.71929 0.71974 0.72305 0.73391 0.73609 0.73925 0.74157 0.74810 0.75161 0.75734 0.75958 0.76292 0.76571 0.77421 0.78582 0.79044 0.79240 0.79815 0.80912 0.81597 0.82317 0.83047 0.83486 0.84050 0.84440 0.85151 0.85973 0.86492 0.86608 0.88555 0.88894 0.89571 0.90594 0.91105 0.91909 0.92329 0.93080 0.93883 0.94389 0.95041 0.96527 0.96571 0.97289 0.97952 0.98530 0.99393 1.00715 1.01080 1.01969 1.02914 1.03203 1.04063 1.04757 1.05614 1.05803 1.06515 1.07434 1.07988 1.08499 1.10208 1.10382 1.10894 1.11982 1.13136 1.13656 1.13898 1.16469 1.16616 1.17251 1.17928 1.18131 1.18880 1.19347 1.20393 1.21129 1.21510 1.22193 1.23222 1.24065 1.24355 1.25253 1.26645 1.27454 1.27921 1.28192 1.29213 1.29730 1.31369 1.33245 1.33702 1.35454 1.35938 1.37127 1.37528 1.39048 1.39943 1.40176 1.41908 1.42592 1.44138 1.45386 1.45946 1.47435 1.47825 1.48453 1.49201 1.49610 1.51306 1.52107 1.52743 1.53090 1.54204 1.54595 1.55774 1.56504 1.56691 1.56862 1.57604 1.57731 1.57943 1.58653 1.59678 1.60208 1.60456 1.61056 1.61771 1.62074 1.62384 1.63322 1.64129 1.64858 1.65095 1.65489 1.66572 1.66938 1.67719 1.68065 1.68914 1.69047 1.70012 1.70970 1.71650 1.72306 1.72633 1.73020 1.73627 1.74341 1.74880 1.75943 1.76040 1.76709 1.77284 1.77796 1.78098 1.79072 1.79313 1.80474 1.81071 1.82644 1.83361 1.83772 1.84602 1.85658 1.85968 1.86868 1.87329 1.87798 1.88666 1.89344 1.89910 1.91389 1.92516 1.94144 1.94606 1.96105 1.96867 1.97173 1.98778 2.00091 2.00319 2.00869 2.01656 2.02376 2.03528 2.04551 2.05558 2.07126 2.07565 2.09099 2.10929 2.11192 2.12083 2.12933 2.14647 2.16033 2.16127 2.17140 2.18029 2.20215 2.20914 2.21404 2.23640 2.23713 2.25245 2.26041 2.26348 2.27274 2.27657 2.28891 2.30189 2.31817 2.32421 2.33600 2.34462 2.35457 2.35925 2.37189 2.37768 2.38371 2.40302 2.41050 2.42903 2.43398 2.45105 2.45403 2.46464 2.47135 2.47613 2.49495 2.50412 2.52573 2.52875 2.53954 2.54149 2.54687 2.55655 2.56766 2.57288 2.57800 2.58634 2.58992 2.60043 2.60237 2.61876 2.62312 2.63855 2.64272 2.65027 2.65831 2.67332 2.67702 2.68414 2.69356 2.70736 2.71322 2.71784 2.72684 2.73685 2.73898 2.74482 2.75012 2.76173 2.76511 2.77503 2.77714 2.79839 2.80053 2.80614 2.81428 2.82248 2.83145 2.83674 2.83856 2.84383 2.85296 2.85799 2.86535 2.87492 2.87532 2.88667 2.88834 2.90034 2.90325 2.91729 2.92020 2.93289 2.93983 2.95060 2.95777 2.97627 2.97927 3.00384 3.01923 3.02391 3.03007 3.04074 3.07262 3.07902 3.08211 3.08968 3.09859 3.10872 3.11534 3.12972 3.18193 3.19662 3.20286 3.21502 3.22357 3.23732 3.27339 3.28126 3.29092 3.30173 3.31511 3.32966 3.35070 3.35512 3.35919 3.37971 3.39821 3.40404 3.45429 3.47953 3.50380 3.54170 3.56311 3.56748 3.59063 3.62752 3.64277 3.67916 3.70124 3.72661 3.76299 3.77808 3.78280 3.78692 3.79933 3.80467 3.81081 3.81504 3.82441 3.83951 3.84655 3.86311 3.86329 3.87112 3.88650 3.90311 3.92279 3.95037 4.05677 4.09159 4.11108 4.13186 4.14550 4.19129 4.21230 4.23377 4.27129 4.34925 4.38018 4.41426 4.42489 4.50617 4.53403 4.69354 4.73797 4.83663 4.97710 4.99937 5.03357 5.07927 5.08928 5.10413 5.14768 5.15857 5.16717 5.21297 5.30517 5.42361 5.67158 5.73806 5.76254 5.95696 6.23734 6.24742 23.54052 23.76215 23.84798 23.86529 23.88516 23.90830 23.91643 23.93222 23.93919 23.96142 23.96438 23.97955 23.98721 24.01240 24.01896 24.07078 24.14812 24.21970 35.38012 35.41056 49.87327 49.88111 49.96175 49.98253 49.98567 50.03328 1-A. Mulliken charges: 1 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 50 O O O O O O N N 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 0.102278 -0.023542 0.042896 -0.053659 -0.049861 -0.163549 -0.215501 -0.176520 0.237670 -0.406872 -0.186502 -0.396598 1.274636 -0.560832 -0.667185 -0.056715 0.173079 -0.837616 0.214713 -0.249969 -0.097138 -0.571584 -0.698791 -0.115931 0.257888 -0.776599 0.179098 0.160351 0.172514 0.186726 0.183086 0.160393 0.152591 0.153137 0.147243 0.160517 0.161797 0.168789 0.141756 0.137138 0.196171 0.210746 0.148345 0.142094 0.144091 0.176954 0.190668 0.184264 0.177706 0.165630 -0.00000 -3.11656675e+00 -1.52691047e+00 2.09940374e+00 ./ancestor::cml:module[@dictRef='cc:finalization']/cml:molecule[@id='mol9999'] -7.9215 -3.8810 5.3362 10.3096 -164.4047 -171.7913 -158.4171 -4.9084 6.1287 1.7470 0.4664 -6.9203 6.4539 -4.9084 6.1287 1.7470 -277.5179 -45.7980 11.5062 -34.1216 105.8667 67.3225 -7.1001 -8.5420 18.8311 -8.6358 -8991.5018 -4107.6587 -1552.2742 -17.8197 227.5338 -103.3619 9.2615 -53.0287 -1.5922 -1961.8051 -1658.6838 -922.3665 9.3005 8.2807 -31.4538 (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A) (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A) (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A) (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(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 -1261.4593572 3.838E-9 3.508E-6 0.7018324,-5.5379142,4.8360818,-3.9346292,4.2016506,0.4053695 C01 [X(C18H24N2O6)] -3.0363726 -1.8283707 1.9721667 0.000010521 -0.000002371 -0.000000405 0.000002190 -0.000003046 -0.000007218 0.000001437 -0.000000432 -0.000008130 -0.000000031 -0.000000003 0.000002194 -0.000000644 -0.000004489 -0.000001287 0.000000098 -0.000000409 0.000001268 -0.000005323 0.000001256 -0.000006146 0.000000292 -0.000003548 -0.000004721 -0.000002629 0.000001473 0.000001421 0.000000309 0.000000997 0.000004208 0.000000815 -0.000001622 0.000002226 -0.000001233 -0.000002557 0.000004415 0.000004172 0.000005000 -0.000001248 -0.000000103 -0.000003800 0.000002350 0.000000332 0.000004133 0.000005431 -0.000000830 -0.000002679 0.000001302 -0.000010038 0.000002472 0.000000290 0.000004120 0.000001234 -0.000002125 0.000007443 -0.000008099 -0.000004241 -0.000007335 -0.000002235 0.000003797 -0.000000363 0.000003875 -0.000004896 -0.000000464 -0.000001517 0.000003140 -0.000005219 0.000006651 -0.000011417 0.000000635 0.000001974 -0.000004010 0.000001927 -0.000000179 -0.000005474 -0.000000899 0.000003374 -0.000003184 0.000000603 0.000003337 0.000000512 0.000000268 0.000002473 0.000005066 -0.000001198 -0.000000486 0.000004290 -0.000000457 -0.000002407 0.000001355 -0.000000128 -0.000000479 0.000002195 -0.000000341 -0.000000908 0.000005811 -0.000001083 -0.000002723 0.000006211 -0.000001197 -0.000005270 0.000002565 -0.000000773 -0.000004351 0.000005305 -0.000000016 0.000005091 0.000001715 0.000000946 0.000005674 0.000004626 -0.000001141 0.000003599 0.000004470 -0.000001249 -0.000003223 0.000000644 0.000000009 -0.000004728 0.000001167 0.000000023 0.000000972 0.000001872 0.000000520 -0.000003031 -0.000005061 -0.000000068 0.000000439 0.000002714 0.000000021 -0.000001150 0.000001285 0.000000044 -0.000001142 0.000004251 0.000002096 0.000005419 -0.000002835 0.000000425 -0.000000295 -0.000003404 0.000001150 0.000001567 -0.000006008 0.000001401 0.000001618 -0.000002359 0.000000967 0.000004549 -0.000003927 340.2023999999997 AuxInfo=1/0/N:9;10;11;12;13;14;15;16;17;18;19;20;21;22;23;24;25;26;7;8;1;2;3;4;5;6;27;28;29;30;31;32;33;34;35;36;37;38;39;40;41;42;43;44;45;46;47;48;49;50/rA:50nO0O0O0O0O0O0N0N0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:-.471,.8027,1.2827;1.4208,3.4669,-1.0432;.5039,3.3617,.9159;4.8959,-1.6943,-.7509;5.1839,.343,-1.4203;-1.2943,1.5009,-.7167;1.1163,2.8652,-.0218;4.5259,-.5297,-.8631;.3842,-1.873,1.5932;-.3061,-2.7834,.5512;-1.2657,-2.0457,-.3851;-2.0587,-2.9803,-1.3023;1.2272,-.8082,.9084;-2.8902,-2.2442,-2.3656;1.2059,-2.6979,2.5951;-3.8573,-1.1786,-1.8239;.7604,.5073,.7579;2.4732,-1.1242,.3688;1.5481,1.4645,.097;3.2196,-.1601,-.2988;2.7771,1.144,-.4526;-4.8656,-1.7082,-.8009;-1.4891,1.2642,.4509;-2.7311,1.3669,1.2089;-3.8666,1.7513,.6095;-5.1883,1.8618,1.2809;-.4008,-1.3597,2.1516;-.8565,-3.5553,1.1019;.4628,-3.3035,-.0341;-.7086,-1.3277,-.9982;-1.9634,-1.4571,.2202;-2.7111,-3.6148,-.6903;-1.3656,-3.6611,-1.812;-2.2064,-1.7625,-3.0757;-3.4607,-2.9849,-2.9403;1.7208,-2.0542,3.3139;.5416,-3.3644,3.1519;1.9543,-3.3213,2.0976;-3.2862,-.3572,-1.3798;-4.4,-.7437,-2.6714;2.8629,-2.1289,.4513;3.366,1.8905,-.9653;-4.3736,-2.0502,.1146;-5.5824,-.9318,-.5162;-5.4346,-2.5525,-1.2064;-2.6933,1.0999,2.2584;-3.8315,2.0005,-.4486;-5.5659,2.8878,1.1974;-5.9204,1.224,.7721;-5.1454,1.5831,2.3357; Gaussian 16 GINC-DEPAZ04 APULGAR Optimization meptyldinocap CONF109 octanol EM64L-G16RevC.01 144 C1[X(C18H24N2O6)] RB3LYP 6-311+G(d,p) Freq #P Geom=AllCheck Guess=TCheck SCRF=Check GenChk RB3LYP/6-311+G(d,p) Freq 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 340.2023999999997 AuxInfo=1/0/N:9;10;11;12;13;14;15;16;17;18;19;20;21;22;23;24;25;26;7;8;1;2;3;4;5;6;27;28;29;30;31;32;33;34;35;36;37;38;39;40;41;42;43;44;45;46;47;48;49;50/rA:50nO0O0O0O0O0O0N0N0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:-.471,.8027,1.2827;1.4208,3.4669,-1.0432;.5039,3.3617,.9159;4.8959,-1.6943,-.7509;5.1839,.343,-1.4203;-1.2943,1.5009,-.7167;1.1163,2.8652,-.0218;4.5259,-.5297,-.8631;.3842,-1.873,1.5932;-.3061,-2.7834,.5512;-1.2657,-2.0457,-.3851;-2.0587,-2.9803,-1.3023;1.2272,-.8082,.9084;-2.8902,-2.2442,-2.3656;1.2059,-2.6979,2.5951;-3.8573,-1.1786,-1.8239;.7604,.5073,.7579;2.4732,-1.1242,.3688;1.5481,1.4645,.097;3.2196,-.1601,-.2988;2.7771,1.144,-.4526;-4.8656,-1.7082,-.8009;-1.4891,1.2642,.4509;-2.7311,1.3669,1.2089;-3.8666,1.7513,.6095;-5.1883,1.8618,1.2809;-.4008,-1.3597,2.1516;-.8565,-3.5553,1.1019;.4628,-3.3035,-.0341;-.7086,-1.3277,-.9982;-1.9634,-1.4571,.2202;-2.7111,-3.6148,-.6903;-1.3656,-3.6611,-1.812;-2.2064,-1.7625,-3.0757;-3.4607,-2.9849,-2.9403;1.7208,-2.0542,3.3139;.5416,-3.3644,3.1519;1.9543,-3.3213,2.0976;-3.2862,-.3572,-1.3798;-4.4,-.7437,-2.6714;2.8629,-2.1289,.4513;3.366,1.8905,-.9653;-4.3736,-2.0502,.1146;-5.5824,-.9318,-.5162;-5.4346,-2.5525,-1.2064;-2.6933,1.0999,2.2584;-3.8315,2.0005,-.4486;-5.5659,2.8878,1.1974;-5.9204,1.224,.7721;-5.1454,1.5831,2.3357; Optimization meptyldinocap CONF109 octanol Redundant internal coordinates found in file. (old form). 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 50 16 16 16 16 16 16 14 14 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 15.9949146 15.9949146 15.9949146 15.9949146 15.9949146 15.9949146 14.0030740 14.0030740 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 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 2 2 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 5.6000000 5.6000000 5.6000000 5.6000000 5.6000000 5.6000000 4.5500000 4.5500000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 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/C4-C8/meptyldinocap/octanol/CONF109/opt-b3lyp-pople.chk" Berny optimization. R1 R2 R3 R4 R5 R6 R7 R8 R9 R10 R11 R12 R13 R14 R15 R16 R17 R18 R19 R20 R21 R22 R23 R24 R25 R26 R27 R28 R29 R30 R31 R32 R33 R34 R35 R36 R37 R38 R39 R40 R41 R42 R43 R44 R45 R46 R47 R48 R49 R50 1 1 2 3 4 5 6 7 8 9 9 9 9 10 10 10 11 11 11 12 12 12 13 13 14 14 14 15 15 15 16 16 16 17 18 18 19 20 21 22 22 22 23 24 24 25 25 26 26 26 17 23 7 7 8 8 23 19 20 10 13 15 27 11 28 29 12 30 31 14 32 33 17 18 16 34 35 36 37 38 22 39 40 19 20 41 21 21 42 43 44 45 24 25 46 26 47 48 49 50 1.3708 1.3934 1.2239 1.2252 1.227 1.2269 1.2072 1.4705 1.4702 1.5463 1.5211 1.5361 1.0916 1.5303 1.0964 1.0974 1.5308 1.0963 1.0953 1.5375 1.0967 1.0971 1.4039 1.3941 1.5376 1.0972 1.0975 1.0936 1.0934 1.0937 1.5308 1.0946 1.0964 1.4049 1.39 1.0808 1.3839 1.3858 1.0802 1.0941 1.0944 1.0959 1.4586 1.3403 1.0837 1.4866 1.0876 1.0965 1.0962 1.0918 calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|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 17 2 2 3 4 4 5 10 10 10 13 13 15 9 9 9 11 11 28 10 10 10 12 12 30 11 11 11 14 14 32 9 9 17 12 12 12 16 16 34 9 9 9 36 36 37 14 14 14 22 22 39 1 1 13 13 13 20 7 7 17 8 8 18 19 19 20 16 16 16 43 43 44 1 1 6 23 23 25 24 24 26 25 25 25 48 48 49 1 7 7 7 8 8 8 9 9 9 9 9 9 10 10 10 10 10 10 11 11 11 11 11 11 12 12 12 12 12 12 13 13 13 14 14 14 14 14 14 15 15 15 15 15 15 16 16 16 16 16 16 17 17 17 18 18 18 19 19 19 20 20 20 21 21 21 22 22 22 22 22 22 23 23 23 24 24 24 25 25 25 26 26 26 26 26 26 23 3 19 19 5 20 20 13 15 27 15 27 27 11 28 29 28 29 29 12 30 31 30 31 31 14 32 33 32 33 33 17 18 18 16 34 35 34 35 35 36 37 38 37 38 38 22 39 40 39 40 40 13 19 19 20 41 41 17 21 21 18 21 21 20 42 42 43 44 45 44 45 45 6 24 24 25 46 46 26 47 47 48 49 50 49 50 50 119.9526 124.3251 117.5595 118.0943 123.7017 118.1314 118.1668 110.8673 111.231 107.4934 111.9062 107.4386 107.6745 114.1051 107.4681 109.0114 109.3795 109.9676 106.6166 113.3983 109.8331 108.6854 109.1487 109.2227 106.3059 113.7148 109.0898 109.2668 109.9481 108.5096 106.024 121.3252 120.7275 117.9113 115.3611 108.7095 108.6741 108.405 108.979 106.3413 111.3739 109.5401 112.0499 108.0618 108.2021 107.4553 114.2016 109.56 108.2948 109.4001 109.1378 105.9123 117.3648 122.4714 120.1631 120.5714 120.2247 119.1962 121.4968 116.6947 121.7985 119.1494 118.5384 122.3123 117.2233 120.8364 121.934 111.7832 111.086 111.1738 107.3716 107.5969 107.625 121.6241 109.5933 128.7731 120.6117 117.1439 122.2312 124.9295 118.256 116.8142 109.9549 109.9274 112.4863 106.2079 109.0209 109.0411 calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|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 23 23 17 17 2 2 3 3 4 4 5 5 13 13 13 15 15 15 27 27 27 10 10 15 15 27 27 10 10 10 13 13 13 27 27 27 9 9 9 28 28 28 29 29 29 10 10 10 30 30 30 31 31 31 11 11 11 32 32 32 33 33 33 9 9 18 18 9 9 17 17 12 12 12 34 34 34 35 35 35 14 14 14 39 39 39 40 40 40 1 1 13 13 13 13 41 41 7 7 17 17 8 8 18 18 1 1 6 6 23 23 46 46 24 24 24 47 47 47 1 1 1 1 7 7 7 7 8 8 8 8 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 10 10 10 10 10 10 10 10 10 11 11 11 11 11 11 11 11 11 12 12 12 12 12 12 12 12 12 13 13 13 13 13 13 13 13 14 14 14 14 14 14 14 14 14 16 16 16 16 16 16 16 16 16 17 17 17 17 18 18 18 18 19 19 19 19 20 20 20 20 23 23 23 23 24 24 24 24 25 25 25 25 25 25 17 17 23 23 19 19 19 19 20 20 20 20 10 10 10 10 10 10 10 10 10 13 13 13 13 13 13 15 15 15 15 15 15 15 15 15 11 11 11 11 11 11 11 11 11 12 12 12 12 12 12 12 12 12 14 14 14 14 14 14 14 14 14 17 17 17 17 18 18 18 18 16 16 16 16 16 16 16 16 16 22 22 22 22 22 22 22 22 22 19 19 19 19 20 20 20 20 21 21 21 21 21 21 21 21 24 24 24 24 25 25 25 25 26 26 26 26 26 26 13 19 6 24 17 21 17 21 18 21 18 21 11 28 29 11 28 29 11 28 29 17 18 17 18 17 18 36 37 38 36 37 38 36 37 38 12 30 31 12 30 31 12 30 31 14 32 33 14 32 33 14 32 33 16 34 35 16 34 35 16 34 35 1 19 1 19 20 41 20 41 22 39 40 22 39 40 22 39 40 43 44 45 43 44 45 43 44 45 7 21 7 21 8 21 8 21 20 42 20 42 19 42 19 42 25 46 25 46 26 47 26 47 48 49 50 48 49 50 -120.2624 60.0528 -5.1163 173.8591 -145.8257 35.3085 35.7743 -143.0915 1.7913 -178.2608 -178.2691 1.6788 -61.2048 177.3355 62.1524 173.594 52.1343 -63.0488 55.9515 -65.5082 179.3087 100.5279 -77.2448 -134.652 47.5753 -16.662 165.5653 178.1927 -62.3228 56.8314 53.5745 173.0591 -67.7867 -64.2746 55.2099 174.3641 -173.4205 64.1667 -51.7495 -53.0236 -175.4363 68.6475 63.7414 -58.6713 -174.5875 -172.6579 64.2255 -51.2678 -49.8664 -172.983 71.5237 65.9719 -57.1447 -172.638 -54.4852 67.4815 -177.1763 68.1607 -169.8726 -54.5304 -176.2964 -54.3297 61.0125 1.6203 -178.6872 179.4537 -0.8538 177.6577 -1.3281 -0.1893 -179.1751 -57.144 65.9601 -178.958 -179.274 -56.1699 58.912 65.3846 -171.5113 -56.4294 65.089 -174.9975 -55.1716 -58.1017 61.8119 -178.3622 -173.5616 -53.648 66.1778 2.5928 -178.5995 -177.0835 1.7243 -179.6168 0.4373 -0.6207 179.4334 177.4121 -1.6907 -1.45 179.4471 -179.5693 -0.477 0.3769 179.4692 -177.8889 0.8179 0.992 179.6988 178.6904 -1.0905 0.0508 -179.7301 121.1581 -122.2589 -0.5473 -59.0581 57.5249 179.2365 calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|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. 0.00141 0.00185 0.00239 0.00294 0.00340 0.00382 0.00401 0.00467 0.00547 0.00601 0.00667 0.01100 0.01372 0.01535 0.01647 0.01784 0.01845 0.01897 0.01925 0.02183 0.02345 0.02482 0.02701 0.02856 0.03260 0.03408 0.03738 0.03760 0.03779 0.03859 0.03881 0.03955 0.04016 0.04243 0.04280 0.04514 0.04536 0.04595 0.04651 0.04735 0.05185 0.05316 0.05517 0.05584 0.06002 0.07001 0.07140 0.07301 0.07474 0.07597 0.08197 0.09878 0.10742 0.11048 0.11069 0.11171 0.11474 0.11525 0.11960 0.11994 0.12042 0.12336 0.12451 0.12515 0.13661 0.13716 0.14108 0.14232 0.14410 0.14608 0.14896 0.15646 0.16789 0.16920 0.17270 0.17524 0.18164 0.18623 0.19003 0.20238 0.21220 0.21378 0.21983 0.22173 0.22428 0.23075 0.23292 0.23705 0.24033 0.24832 0.26220 0.26688 0.27004 0.27837 0.28235 0.28682 0.29789 0.30181 0.31342 0.31807 0.31973 0.32050 0.32103 0.32154 0.32225 0.32491 0.32625 0.32704 0.32726 0.32832 0.32935 0.33099 0.33170 0.33262 0.33537 0.33592 0.33618 0.33964 0.34083 0.34152 0.34449 0.34700 0.35048 0.35222 0.35977 0.36693 0.37573 0.37737 0.38363 0.39824 0.40449 0.43781 0.45440 0.46550 0.47450 0.51247 0.54058 0.54719 0.57641 0.59720 0.70144 0.75769 0.76863 0.83378 Angle between quadratic step and forces= 75.03 degrees. 1 2 0.00032465 0.00000004 0.00000002 0.00000000 R1 R2 R3 R4 R5 R6 R7 R8 R9 R10 R11 R12 R13 R14 R15 R16 R17 R18 R19 R20 R21 R22 R23 R24 R25 R26 R27 R28 R29 R30 R31 R32 R33 R34 R35 R36 R37 R38 R39 R40 R41 R42 R43 R44 R45 R46 R47 R48 R49 R50 A1 A2 A3 A4 A5 A6 A7 A8 A9 A10 A11 A12 A13 A14 A15 A16 A17 A18 A19 A20 A21 A22 A23 A24 A25 A26 A27 A28 A29 A30 A31 A32 A33 A34 A35 A36 A37 A38 A39 A40 A41 A42 A43 A44 A45 A46 A47 A48 A49 A50 A51 A52 A53 A54 A55 A56 A57 A58 A59 A60 A61 A62 A63 A64 A65 A66 A67 A68 A69 A70 A71 A72 A73 A74 A75 A76 A77 A78 A79 A80 A81 A82 A83 A84 A85 A86 A87 A88 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 2.59038 2.63310 2.31277 2.31520 2.31878 2.31850 2.28131 2.77890 2.77819 2.92206 2.87439 2.90284 2.06276 2.89181 2.07189 2.07371 2.89286 2.07175 2.06985 2.90548 2.07246 2.07323 2.65292 2.63442 2.90567 2.07346 2.07388 2.06666 2.06625 2.06675 2.89289 2.06841 2.07184 2.65478 2.62674 2.04238 2.61524 2.61872 2.04133 2.06758 2.06818 2.07092 2.75640 2.53276 2.04782 2.80922 2.05523 2.07200 2.07143 2.06314 2.09357 2.16988 2.05180 2.06113 2.15900 2.06178 2.06240 1.93500 1.94135 1.87611 1.95313 1.87516 1.87928 1.99151 1.87567 1.90261 1.90903 1.91930 1.86081 1.97917 1.91695 1.89692 1.90500 1.90630 1.85539 1.98470 1.90398 1.90707 1.91896 1.89385 1.85047 2.11752 2.10709 2.05794 2.01343 1.89734 1.89672 1.89202 1.90204 1.85600 1.94384 1.91184 1.95564 1.88603 1.88848 1.87545 1.99319 1.91218 1.89010 1.90939 1.90481 1.84852 2.04840 2.13753 2.09724 2.10437 2.09832 2.08037 2.12052 2.03671 2.12579 2.07955 2.06888 2.13475 2.04593 2.10899 2.12815 1.95099 1.93882 1.94035 1.87399 1.87792 1.87841 2.12274 1.91276 2.24752 2.10507 2.04455 2.13334 2.18043 2.06396 2.03879 1.91908 1.91860 1.96326 1.85368 1.90277 1.90313 -2.09897 1.04812 -0.08930 3.03441 -2.54514 0.61625 0.62438 -2.49742 0.03126 -3.11124 -3.11138 0.02930 -1.06822 3.09509 1.08476 3.02979 0.90992 -1.10041 0.97654 -1.14333 3.12953 1.75454 -1.34818 -2.35012 0.83035 -0.29081 2.88966 3.11005 -1.08774 0.99190 0.93505 3.02045 -1.18310 -1.12180 0.96359 3.04323 -3.02676 1.11992 -0.90320 -0.92544 -3.06194 1.19812 1.11250 -1.02401 -3.04713 -3.01345 1.12095 -0.89479 -0.87033 -3.01912 1.24832 1.15143 -0.99736 -3.01310 -0.95095 1.17777 -3.09231 1.18963 -2.96484 -0.95173 -3.07695 -0.94823 1.06487 0.02828 -3.11868 3.13206 -0.01490 3.10071 -0.02318 -0.00330 -3.12720 -0.99735 1.15122 -3.12341 -3.12892 -0.98035 1.02821 1.14118 -2.99344 -0.98488 1.13602 -3.05428 -0.96293 -1.01407 1.07882 -3.11301 -3.02922 -0.93634 1.15502 0.04525 -3.11715 -3.09069 0.03009 -3.13490 0.00763 -0.01083 3.13170 3.09643 -0.02951 -0.02531 3.13194 -3.13408 -0.00833 0.00658 3.13233 -3.10475 0.01428 0.01731 3.13634 3.11874 -0.01903 0.00089 -3.13688 2.11461 -2.13382 -0.00955 -1.03076 1.00400 3.12827 -0.00001 0.00001 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00001 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 0.00001 -0.00001 -0.00000 0.00000 0.00000 -0.00000 -0.00001 0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 -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 -0.00003 0.00004 0.00000 -0.00000 -0.00000 -0.00000 -0.00001 0.00001 0.00001 -0.00001 0.00001 0.00001 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00001 -0.00001 -0.00000 -0.00001 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00001 -0.00000 -0.00000 -0.00000 -0.00000 -0.00001 0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00002 0.00001 -0.00001 -0.00001 -0.00000 -0.00000 -0.00001 -0.00000 0.00002 -0.00001 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 -0.00001 0.00000 0.00001 -0.00001 0.00001 0.00000 0.00000 -0.00001 0.00000 0.00000 0.00001 -0.00001 0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00001 0.00001 0.00000 0.00001 0.00001 -0.00002 -0.00000 0.00000 0.00000 -0.00001 -0.00001 0.00002 -0.00001 -0.00001 0.00001 -0.00002 0.00002 0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00001 0.00002 -0.00001 -0.00001 0.00002 0.00000 -0.00000 0.00000 0.00001 -0.00002 -0.00000 0.00001 0.00002 -0.00001 -0.00007 -0.00004 0.00004 0.00002 -0.00007 -0.00007 -0.00005 -0.00005 -0.00035 -0.00036 -0.00033 -0.00033 -0.00014 -0.00013 -0.00013 -0.00015 -0.00013 -0.00013 -0.00014 -0.00013 -0.00013 0.00003 0.00000 0.00005 0.00001 0.00003 0.00000 -0.00003 -0.00003 -0.00003 -0.00005 -0.00005 -0.00005 -0.00004 -0.00003 -0.00003 -0.00002 -0.00002 -0.00002 -0.00003 -0.00004 -0.00004 -0.00004 -0.00004 -0.00004 -0.00010 -0.00010 -0.00009 -0.00009 -0.00009 -0.00009 -0.00009 -0.00008 -0.00008 -0.00007 -0.00007 -0.00006 -0.00008 -0.00007 -0.00006 -0.00007 -0.00007 -0.00006 -0.00002 -0.00004 0.00001 -0.00001 0.00003 0.00003 0.00000 0.00000 0.00000 -0.00001 -0.00000 -0.00000 -0.00002 -0.00001 -0.00001 -0.00002 -0.00002 -0.00000 0.00000 -0.00000 0.00001 0.00001 0.00001 0.00000 0.00001 0.00001 -0.00000 -0.00000 0.00002 0.00002 -0.00000 0.00000 -0.00000 0.00000 -0.00002 -0.00000 -0.00001 0.00000 0.00001 -0.00001 0.00000 -0.00001 0.00036 0.00029 0.00033 0.00027 -0.00009 -0.00005 -0.00003 0.00001 0.00024 0.00024 0.00021 0.00020 0.00020 0.00017 -0.00003 0.00004 0.00000 -0.00000 -0.00000 -0.00000 -0.00001 0.00001 0.00001 -0.00001 0.00001 0.00001 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00001 -0.00001 -0.00000 -0.00001 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00001 -0.00000 -0.00000 -0.00000 -0.00000 -0.00001 0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00002 0.00001 -0.00001 -0.00001 -0.00000 -0.00000 -0.00001 -0.00000 0.00002 -0.00001 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 -0.00001 0.00000 0.00001 -0.00001 0.00001 0.00000 0.00000 -0.00001 0.00000 0.00000 0.00001 -0.00001 0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00001 0.00001 0.00000 0.00001 0.00001 -0.00002 -0.00000 0.00000 0.00000 -0.00001 -0.00001 0.00002 -0.00001 -0.00001 0.00001 -0.00002 0.00002 0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00001 0.00002 -0.00001 -0.00001 0.00002 0.00000 -0.00000 0.00000 0.00001 -0.00002 -0.00000 0.00001 0.00002 -0.00001 -0.00007 -0.00004 0.00004 0.00002 -0.00007 -0.00007 -0.00005 -0.00005 -0.00035 -0.00036 -0.00033 -0.00033 -0.00014 -0.00013 -0.00013 -0.00015 -0.00013 -0.00013 -0.00014 -0.00013 -0.00013 0.00003 0.00000 0.00005 0.00001 0.00003 0.00000 -0.00003 -0.00003 -0.00003 -0.00005 -0.00005 -0.00005 -0.00004 -0.00003 -0.00003 -0.00002 -0.00002 -0.00002 -0.00003 -0.00004 -0.00004 -0.00004 -0.00004 -0.00004 -0.00010 -0.00010 -0.00009 -0.00009 -0.00009 -0.00009 -0.00009 -0.00008 -0.00008 -0.00007 -0.00007 -0.00006 -0.00008 -0.00007 -0.00006 -0.00007 -0.00007 -0.00006 -0.00002 -0.00004 0.00001 -0.00001 0.00003 0.00003 0.00000 0.00000 0.00000 -0.00001 -0.00000 -0.00000 -0.00002 -0.00001 -0.00001 -0.00002 -0.00002 -0.00000 0.00000 -0.00000 0.00001 0.00001 0.00001 0.00000 0.00001 0.00001 -0.00000 -0.00000 0.00002 0.00002 -0.00000 0.00000 -0.00000 0.00000 -0.00002 -0.00000 -0.00001 0.00000 0.00001 -0.00001 0.00000 -0.00001 0.00036 0.00029 0.00033 0.00027 -0.00009 -0.00005 -0.00003 0.00001 0.00024 0.00024 0.00021 0.00020 0.00020 0.00017 2.59035 2.63314 2.31277 2.31520 2.31878 2.31850 2.28130 2.77891 2.77820 2.92206 2.87440 2.90285 2.06275 2.89181 2.07189 2.07371 2.89286 2.07175 2.06985 2.90548 2.07246 2.07323 2.65292 2.63442 2.90567 2.07346 2.07388 2.06665 2.06625 2.06675 2.89289 2.06840 2.07184 2.65479 2.62672 2.04238 2.61523 2.61872 2.04133 2.06758 2.06817 2.07091 2.75639 2.53276 2.04782 2.80921 2.05523 2.07199 2.07143 2.06314 2.09357 2.16988 2.05180 2.06114 2.15900 2.06178 2.06240 1.93502 1.94135 1.87611 1.95312 1.87515 1.87927 1.99150 1.87567 1.90262 1.90902 1.91930 1.86081 1.97917 1.91695 1.89691 1.90501 1.90630 1.85539 1.98470 1.90397 1.90706 1.91895 1.89385 1.85047 2.11752 2.10709 2.05795 2.01342 1.89735 1.89672 1.89203 1.90204 1.85601 1.94384 1.91184 1.95563 1.88603 1.88848 1.87545 1.99319 1.91218 1.89010 1.90939 1.90482 1.84852 2.04841 2.13754 2.09722 2.10436 2.09832 2.08037 2.12050 2.03670 2.12581 2.07954 2.06888 2.13476 2.04592 2.10901 2.12815 1.95098 1.93882 1.94035 1.87399 1.87792 1.87841 2.12274 1.91275 2.24753 2.10506 2.04454 2.13335 2.18043 2.06395 2.03879 1.91909 1.91857 1.96325 1.85368 1.90279 1.90312 -2.09904 1.04808 -0.08926 3.03443 -2.54521 0.61618 0.62433 -2.49747 0.03091 -3.11159 -3.11171 0.02897 -1.06837 3.09496 1.08463 3.02964 0.90979 -1.10054 0.97639 -1.14346 3.12940 1.75458 -1.34818 -2.35008 0.83036 -0.29077 2.88966 3.11002 -1.08777 0.99187 0.93500 3.02040 -1.18315 -1.12184 0.96356 3.04319 -3.02678 1.11990 -0.90322 -0.92547 -3.06198 1.19809 1.11246 -1.02405 -3.04717 -3.01355 1.12085 -0.89488 -0.87042 -3.01921 1.24824 1.15134 -0.99745 -3.01318 -0.95102 1.17771 -3.09237 1.18955 -2.96491 -0.95180 -3.07703 -0.94830 1.06481 0.02826 -3.11873 3.13207 -0.01492 3.10074 -0.02315 -0.00330 -3.12719 -0.99735 1.15121 -3.12341 -3.12893 -0.98037 1.02820 1.14117 -2.99346 -0.98489 1.13601 -3.05428 -0.96293 -1.01406 1.07883 -3.11300 -3.02922 -0.93633 1.15503 0.04525 -3.11715 -3.09067 0.03012 -3.13491 0.00764 -0.01084 3.13171 3.09641 -0.02951 -0.02532 3.13194 -3.13407 -0.00833 0.00658 3.13232 -3.10439 0.01457 0.01764 3.13660 3.11864 -0.01909 0.00086 -3.13687 2.11485 -2.13358 -0.00934 -1.03056 1.00420 3.12844 |Maximum Force|RMS Force|Maximum Displacement|RMS Displacement| 0.000012 0.000002 0.001317 0.000325 0.000450 0.000300 0.001800 0.001200 YES YES YES YES -4.950412e-09 Optimization completed. -- Stationary point found. R1 R2 R3 R4 R5 R6 R7 R8 R9 R10 R11 R12 R13 R14 R15 R16 R17 R18 R19 R20 R21 R22 R23 R24 R25 R26 R27 R28 R29 R30 R31 R32 R33 R34 R35 R36 R37 R38 R39 R40 R41 R42 R43 R44 R45 R46 R47 R48 R49 R50 1 1 2 3 4 5 6 7 8 9 9 9 9 10 10 10 11 11 11 12 12 12 13 13 14 14 14 15 15 15 16 16 16 17 18 18 19 20 21 22 22 22 23 24 24 25 25 26 26 26 17 23 7 7 8 8 23 19 20 10 13 15 27 11 28 29 12 30 31 14 32 33 17 18 16 34 35 36 37 38 22 39 40 19 20 41 21 21 42 43 44 45 24 25 46 26 47 48 49 50 1.3708 1.3934 1.2239 1.2252 1.227 1.2269 1.2072 1.4705 1.4702 1.5463 1.5211 1.5361 1.0916 1.5303 1.0964 1.0974 1.5308 1.0963 1.0953 1.5375 1.0967 1.0971 1.4039 1.3941 1.5376 1.0972 1.0975 1.0936 1.0934 1.0937 1.5308 1.0946 1.0964 1.4049 1.39 1.0808 1.3839 1.3858 1.0802 1.0941 1.0944 1.0959 1.4586 1.3403 1.0837 1.4866 1.0876 1.0965 1.0962 1.0918 -DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-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 17 2 2 3 4 4 5 10 10 10 13 13 15 9 9 9 11 11 28 10 10 10 12 12 30 11 11 11 14 14 32 9 9 17 12 12 12 16 16 34 9 9 9 36 36 37 14 14 14 22 22 39 1 1 13 13 13 20 7 7 17 8 8 18 19 19 20 16 16 16 43 43 44 1 1 6 23 23 25 24 24 26 25 25 25 48 48 49 1 7 7 7 8 8 8 9 9 9 9 9 9 10 10 10 10 10 10 11 11 11 11 11 11 12 12 12 12 12 12 13 13 13 14 14 14 14 14 14 15 15 15 15 15 15 16 16 16 16 16 16 17 17 17 18 18 18 19 19 19 20 20 20 21 21 21 22 22 22 22 22 22 23 23 23 24 24 24 25 25 25 26 26 26 26 26 26 23 3 19 19 5 20 20 13 15 27 15 27 27 11 28 29 28 29 29 12 30 31 30 31 31 14 32 33 32 33 33 17 18 18 16 34 35 34 35 35 36 37 38 37 38 38 22 39 40 39 40 40 13 19 19 20 41 41 17 21 21 18 21 21 20 42 42 43 44 45 44 45 45 6 24 24 25 46 46 26 47 47 48 49 50 49 50 50 119.9526 124.3251 117.5595 118.0943 123.7017 118.1314 118.1668 110.8673 111.231 107.4934 111.9062 107.4386 107.6745 114.1051 107.4681 109.0114 109.3795 109.9676 106.6166 113.3983 109.8331 108.6854 109.1487 109.2227 106.3059 113.7148 109.0898 109.2668 109.9481 108.5096 106.024 121.3252 120.7275 117.9113 115.3611 108.7095 108.6741 108.405 108.979 106.3413 111.3739 109.5401 112.0499 108.0618 108.2021 107.4553 114.2016 109.56 108.2948 109.4001 109.1378 105.9123 117.3648 122.4714 120.1631 120.5714 120.2247 119.1962 121.4968 116.6947 121.7985 119.1494 118.5384 122.3123 117.2233 120.8364 121.934 111.7832 111.086 111.1738 107.3716 107.5969 107.625 121.6241 109.5933 128.7731 120.6117 117.1439 122.2312 124.9295 118.256 116.8142 109.9549 109.9274 112.4863 106.2079 109.0209 109.0411 -DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-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 23 23 17 17 2 2 3 3 4 4 5 5 13 13 13 15 15 15 27 27 27 10 10 15 15 27 27 10 10 10 13 13 13 27 27 27 9 9 9 28 28 28 29 29 29 10 10 10 30 30 30 31 31 31 11 11 11 32 32 32 33 33 33 9 9 18 18 9 9 17 17 12 12 12 34 34 34 35 35 35 14 14 14 39 39 39 40 40 40 1 1 13 13 13 13 41 41 7 7 17 17 8 8 18 18 1 1 6 6 23 23 46 46 24 24 24 47 47 1 1 1 1 7 7 7 7 8 8 8 8 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 10 10 10 10 10 10 10 10 10 11 11 11 11 11 11 11 11 11 12 12 12 12 12 12 12 12 12 13 13 13 13 13 13 13 13 14 14 14 14 14 14 14 14 14 16 16 16 16 16 16 16 16 16 17 17 17 17 18 18 18 18 19 19 19 19 20 20 20 20 23 23 23 23 24 24 24 24 25 25 25 25 25 17 17 23 23 19 19 19 19 20 20 20 20 10 10 10 10 10 10 10 10 10 13 13 13 13 13 13 15 15 15 15 15 15 15 15 15 11 11 11 11 11 11 11 11 11 12 12 12 12 12 12 12 12 12 14 14 14 14 14 14 14 14 14 17 17 17 17 18 18 18 18 16 16 16 16 16 16 16 16 16 22 22 22 22 22 22 22 22 22 19 19 19 19 20 20 20 20 21 21 21 21 21 21 21 21 24 24 24 24 25 25 25 25 26 26 26 26 26 13 19 6 24 17 21 17 21 18 21 18 21 11 28 29 11 28 29 11 28 29 17 18 17 18 17 18 36 37 38 36 37 38 36 37 38 12 30 31 12 30 31 12 30 31 14 32 33 14 32 33 14 32 33 16 34 35 16 34 35 16 34 35 1 19 1 19 20 41 20 41 22 39 40 22 39 40 22 39 40 43 44 45 43 44 45 43 44 45 7 21 7 21 8 21 8 21 20 42 20 42 19 42 19 42 25 46 25 46 26 47 26 47 48 49 50 48 49 -120.2624 60.0528 -5.1163 173.8591 -145.8257 35.3085 35.7743 -143.0915 1.7913 -178.2608 -178.2691 1.6788 -61.2048 177.3355 62.1524 173.594 52.1343 -63.0488 55.9515 -65.5082 179.3087 100.5279 -77.2448 -134.652 47.5753 -16.662 165.5653 178.1927 -62.3228 56.8314 53.5745 173.0591 -67.7867 -64.2746 55.2099 174.3641 -173.4205 64.1667 -51.7495 -53.0236 -175.4363 68.6475 63.7414 -58.6713 -174.5875 -172.6579 64.2255 -51.2678 -49.8664 -172.983 71.5237 65.9719 -57.1447 -172.638 -54.4852 67.4815 -177.1763 68.1607 -169.8726 -54.5304 -176.2964 -54.3297 61.0125 1.6203 -178.6872 179.4537 -0.8538 177.6577 -1.3281 -0.1893 -179.1751 -57.144 65.9601 -178.958 -179.274 -56.1699 58.912 65.3846 -171.5113 -56.4294 65.089 -174.9975 -55.1716 -58.1017 61.8119 -178.3622 -173.5616 -53.648 66.1778 2.5928 -178.5995 -177.0835 1.7243 -179.6168 0.4373 -0.6207 179.4334 177.4121 -1.6907 -1.45 179.4471 -179.5693 -0.477 0.3769 179.4692 -177.8889 0.8179 0.992 179.6988 178.6904 -1.0905 0.0508 -179.7301 121.1581 -122.2589 -0.5473 -59.0581 57.5249 -DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0 1 6-311+G(d,p) (5D, 7F) 0.10000e-02 0.10000e-05 F 742 A 716 A 716 1128 742 97 97 2487.1934201992 50 50 50 1.00e+00 60 F IExCor= 402 DFT=T Ex+Corr=B3LYP ExCW=0 ScaHFX= 0.200000 ScaDFX= 0.800000 0.720000 1.000000 0.810000 ScalE2= 1.000000 1.000000 IRadAn= 5 IRanWt= -1 IRanGd= 0 ICorTp=0 IEmpDi=131 Grimme-D3 -0.0610578252 PCM SMD-Coulomb. Total charges None Matrix inversion n-Octanol 9.862900 2.043470 0.000000 4.010784 0.000000 2.762826 2.165608 0.000000 6.258941 6.228962 6.901567 0.000000 6.284533 4.905307 6.039317 2.163700 0.000000 2.272199 3.368013 3.059655 6.966259 6.618343 0.000000 2.911211 1.223867 1.225151 5.967093 4.986249 2.855714 0.000000 5.598949 5.064320 5.872370 1.227048 1.226898 6.165950 4.884529 0.000000 2.826152 6.044810 5.279687 5.087528 6.085195 4.419935 5.059154 4.999127 0.000000 3.663700 6.677643 6.208990 5.471983 6.618262 4.575957 5.853086 5.516056 1.546290 0.000000 3.395142 6.167655 5.836493 6.182486 6.955244 3.562212 5.470240 6.005759 2.581779 1.530280 0.000000 4.849178 7.330844 7.190875 7.093977 7.969549 4.583514 6.774261 7.039512 3.946822 2.558480 1.530838 0.000000 2.370435 4.703433 4.232147 4.122846 4.733216 3.785567 3.790950 3.754533 1.521061 2.525911 3.069115 4.516918 0.000000 5.333522 7.276722 7.329007 7.970778 8.531028 4.392209 6.903003 7.758555 5.150838 3.933974 2.569170 1.537513 5.452913 0.000000 4.097435 7.161600 6.327055 5.081276 6.418358 5.903315 6.148578 5.261356 1.536117 2.543813 3.926327 5.091860 2.533130 6.449234 0.000000 5.004421 7.074596 6.865977 8.833859 9.177296 3.869771 6.658638 8.463028 5.490800 4.563761 3.088450 2.598730 5.784067 1.537616 6.890026 0.000000 1.370773 3.526994 2.870315 4.921976 4.933459 2.717273 2.508927 4.228664 2.550452 3.465342 3.453908 4.935078 1.403867 5.536586 3.721138 5.552631 0.000000 3.635419 4.917234 4.929566 2.729182 3.563913 4.718360 4.231891 2.466624 2.534563 3.242024 3.923909 5.174525 1.394076 6.123499 3.006529 6.699743 2.397195 0.000000 2.433186 2.307744 2.315236 4.680308 4.096269 2.956713 1.470533 3.710283 3.838277 4.657156 4.524558 5.892640 2.434418 6.286247 4.866594 6.316200 1.404852 2.762440 0.000000 4.128991 4.116470 4.610221 2.316918 2.317217 4.827898 3.695042 1.470154 3.814871 4.475986 4.866307 6.068008 2.418001 6.778242 4.343952 7.310709 2.758558 1.390009 2.364367 0.000000 3.698324 2.753908 3.458101 3.554516 2.714951 4.095461 2.430267 2.455264 4.360484 5.092960 5.150071 6.412234 2.839956 6.874402 5.149541 7.161749 2.436759 2.431408 1.383924 1.385767 0.000000 5.473521 8.146186 7.581789 9.761684 10.275424 4.802107 7.570141 9.465353 5.772267 4.875827 3.639524 3.122250 6.391765 2.576370 7.026818 1.530850 6.244254 7.454363 7.211648 8.247393 8.165011 0.000000 1.393377 3.943610 2.930500 7.139075 6.991415 1.207219 3.094368 6.412907 3.828332 4.218180 3.421215 4.627563 3.447129 4.712187 5.249715 4.092761 2.393279 4.627230 3.064309 4.976260 4.362503 4.669396 0.000000 2.330708 5.169174 3.811870 8.448916 8.402930 2.406331 4.308417 7.781689 4.511093 4.851686 4.041606 5.065249 4.526598 5.083525 5.826261 4.116519 3.624011 5.830652 4.422379 6.325853 5.757665 4.248752 1.458627 0.000000 3.589383 5.799309 4.667860 9.513446 9.381694 2.904951 5.144840 8.820781 5.672081 5.765820 4.708673 5.414048 5.708571 5.076269 7.033441 3.808654 4.793693 6.965622 5.446467 7.395511 6.755437 3.867247 2.432065 1.340278 0.000000 4.834786 7.187414 5.897833 10.884231 10.825298 4.391437 6.515582 10.231427 6.715550 6.778398 5.781982 6.317726 6.958939 5.952942 7.962690 4.544824 6.123398 8.273265 6.851177 8.790742 8.183407 4.145270 3.837973 2.507556 1.486573 0.000000 2.331478 6.068000 4.963525 6.049147 6.844478 4.148261 4.987489 5.835165 1.091564 2.144122 2.766505 4.159836 2.121389 5.232993 2.137600 5.271111 2.603097 3.390256 3.999447 4.533288 4.811378 5.364064 3.310799 3.708560 4.905916 5.835739 0.000000 4.378781 7.687602 7.051967 6.323564 7.618770 5.391089 6.810137 6.479626 2.147300 1.096396 2.158079 2.748756 3.453462 4.228238 2.686758 4.818017 4.386021 4.187497 5.656024 5.486720 6.140310 4.806741 4.904241 5.268185 6.120695 6.938356 2.475958 0.000000 4.412178 6.911984 6.732750 4.770399 6.124415 5.160978 6.203309 4.989006 2.168116 1.097362 2.166302 2.840838 2.774828 4.219044 2.798534 5.136326 3.903601 2.992314 4.891791 4.189434 5.031126 5.614667 4.990957 5.793040 6.686505 7.768175 3.049862 1.759091 0.000000 3.130140 5.246390 5.208111 5.621977 6.139322 2.902225 4.675896 5.296695 2.864811 2.163816 1.096324 2.155557 2.766341 2.732932 4.295972 3.258580 2.934130 3.469030 3.753451 4.157318 4.307783 4.179038 3.070367 4.027748 4.694456 5.952726 3.164999 3.065097 2.491159 0.000000 2.909149 6.106988 5.458256 6.931819 7.550907 3.174170 5.312802 6.644133 2.751209 2.148361 1.095317 2.155759 3.327907 2.857415 4.150243 2.800506 3.401049 4.451574 4.569639 5.367983 5.448934 3.086832 2.771963 3.089012 3.750685 4.747641 2.486237 2.530781 3.059466 1.753837 0.000000 5.331585 8.206619 7.847815 7.845970 8.861649 5.308362 7.555595 7.869027 4.222445 2.831400 2.155079 1.096701 5.093498 2.171923 5.194023 2.921275 5.580359 5.848258 6.675336 6.874700 7.267965 2.879091 5.157587 5.331522 5.640918 6.325777 4.301111 2.579700 3.255901 3.055474 2.458425 0.000000 5.504873 7.691865 7.762538 6.648403 7.686544 5.277436 7.208192 6.739124 4.225442 2.734535 2.157653 1.097107 4.718336 2.153740 5.192592 3.517353 5.338532 5.091997 6.197261 5.964138 6.488401 4.133531 5.421738 6.022601 6.435311 7.394721 4.683746 2.959886 2.575197 2.557139 3.056959 1.752330 0.000000 5.346749 6.680914 7.038182 7.473461 7.860680 4.128719 6.463904 7.193004 5.340596 4.219979 2.864354 2.156417 5.345426 1.097228 6.684117 2.152562 5.352610 5.845574 5.880082 6.302408 6.337456 3.499845 4.702385 5.331599 5.355700 6.403687 5.545000 4.742225 4.330229 2.597745 3.318953 3.062050 2.430849 0.000000 6.412361 8.309896 8.418300 8.734556 9.386945 5.455274 7.980619 8.609781 6.047475 4.709888 3.497008 2.156123 6.444168 1.097451 7.245740 2.160152 6.609829 7.044403 7.355950 7.719023 7.883295 2.860159 5.782941 6.056906 5.932722 6.655341 6.158866 4.842140 4.892974 3.753926 3.816401 2.453823 2.473849 1.756674 0.000000 4.134223 7.039697 6.046791 5.170509 6.336656 6.162404 5.974425 5.257348 2.186365 3.503167 4.754128 6.037455 2.753705 7.318030 1.093627 7.634052 3.743873 3.178832 4.770776 4.345781 5.052876 7.773791 5.432527 5.996264 7.281152 8.197788 2.516855 3.713313 3.788454 5.002449 4.847745 6.173372 6.195352 7.505665 8.174891 0.000000 4.678063 8.064658 7.088126 6.081257 7.496754 6.481347 7.015070 6.326898 2.163043 2.796410 4.185210 5.171951 3.469580 6.593578 1.093413 6.991936 4.557279 4.061476 5.802086 5.417234 6.189992 6.899719 5.730923 6.072229 7.215753 7.977825 2.430611 2.488788 3.187587 4.789099 4.302085 5.040418 5.325977 6.992963 7.299189 1.770045 0.000000 4.853176 7.498581 6.939914 4.406199 6.019421 6.459606 6.592955 4.813652 2.194809 2.790989 4.261326 5.270564 2.873783 6.674474 1.093676 7.330994 4.228200 2.843487 5.203029 4.163727 5.207656 7.583786 5.966186 6.687473 7.863110 8.862709 3.065509 2.991125 2.601708 4.544186 4.727350 5.442797 5.140188 6.819386 7.403733 1.771830 1.763261 0.000000 4.044781 6.074054 5.784988 8.314517 8.499155 2.803637 5.622357 7.831102 4.960649 4.300757 2.814781 2.897157 5.080409 2.165461 6.438812 1.094553 4.657545 6.067692 5.373099 6.597992 6.314847 2.157473 3.034847 3.159442 2.956363 3.952401 4.669170 4.721187 4.954453 2.780542 2.349385 3.379052 3.845957 2.452909 3.061058 7.069706 6.650722 6.952736 0.000000 5.784794 7.366299 7.332896 9.539726 9.726128 4.301698 7.104515 9.109743 6.507734 5.595199 4.092245 3.515547 6.669704 2.150501 7.936124 1.096370 6.321015 7.525194 6.922394 8.001766 7.745762 2.155461 4.717398 4.721903 4.156170 4.799061 6.295583 5.890598 6.095484 4.094735 3.848062 3.875664 4.296266 2.452178 2.444912 8.660576 8.074619 8.352493 1.748740 0.000000 4.516619 5.968743 5.993924 2.401597 3.873056 5.641008 5.311803 2.655258 2.741036 3.237349 4.213246 5.293526 2.151382 6.406688 2.768589 7.158242 3.385760 1.080780 3.842754 2.136786 3.396521 7.840542 5.518415 6.639830 7.769613 9.024138 3.759547 4.036324 2.715867 3.936819 4.878271 5.880502 5.034889 6.186397 7.226557 3.082922 3.769355 2.226569 6.656045 8.026159 0.000000 4.578092 2.504951 3.727614 3.903523 2.430370 4.683087 2.627009 2.685798 5.440690 6.134268 6.105988 7.298316 3.920166 7.628637 6.196459 7.895131 3.416408 3.415421 2.148189 2.161209 1.080224 8.985376 5.096085 6.494307 7.403393 8.844359 5.870891 7.194430 6.022799 5.192297 6.404248 8.204583 7.343399 6.989229 8.618206 6.048108 7.248637 6.207830 7.033928 8.376153 4.291316 0.000000 4.973387 8.084226 7.329467 9.316690 9.971467 4.773239 7.370176 9.081242 4.985418 4.156126 3.147847 2.869084 5.791595 2.896445 6.140379 2.187169 5.771743 6.913851 6.886222 7.835848 7.852224 1.094117 4.406678 3.946138 3.866947 4.162638 4.517694 3.950943 4.998365 3.897790 2.484365 2.420720 3.918542 3.867494 3.322550 6.883128 5.925581 6.752055 2.506314 3.077256 7.244743 8.751959 0.000000 5.689612 8.286845 7.584740 10.508690 10.879185 4.934218 7.715879 10.122247 6.398098 5.692793 4.460065 4.151058 6.958178 3.520047 7.673423 2.178716 6.627669 8.106378 7.547326 8.838466 8.613610 1.094432 4.744765 4.048428 3.377867 3.344989 5.843737 5.642239 6.511675 4.913559 3.730351 3.933636 5.187485 4.317233 3.820096 8.322637 7.541677 8.327260 2.519587 2.465461 8.584392 9.393658 1.763491 0.000000 6.487759 9.124516 8.645683 10.376106 11.008280 5.814822 8.583084 10.169578 6.492884 5.426265 4.279129 3.404254 7.203823 2.812922 7.653070 2.180911 7.183243 8.188683 8.160436 9.024533 9.036806 1.095882 5.734180 5.338943 4.927347 5.072823 6.167502 5.224204 6.059458 4.886542 3.909511 2.968540 4.260549 3.813048 2.662584 8.478256 7.441087 8.130348 3.076451 2.547236 8.472009 9.861449 1.767208 1.767778 0.000000 2.445277 5.781835 4.140089 8.629083 8.726827 3.312057 4.778025 8.032235 4.330335 4.867641 4.349896 5.452507 4.564471 5.709931 5.453563 4.817868 3.812000 5.933848 4.774353 6.564315 6.105518 4.686586 2.178115 1.083660 2.126007 2.785826 3.364015 5.136370 5.882782 4.520863 3.350437 5.560942 6.403028 6.073160 6.655915 5.526952 5.585107 6.416639 3.963774 5.533077 6.675490 6.908908 4.164451 4.491453 5.732356 0.000000 3.965520 5.485542 4.744535 9.482165 9.217909 2.599860 5.040938 8.741871 6.078218 6.026124 4.791604 5.355412 5.943141 4.751679 7.530944 3.463954 4.977092 7.083866 5.433679 7.376265 6.663872 3.866290 2.614956 2.087899 1.087581 2.202584 5.460875 6.490075 6.837069 4.596877 3.986489 5.731103 6.324065 4.868533 5.585711 7.837417 7.801928 8.263147 2.592961 3.576963 7.916827 7.216866 4.125414 3.415908 4.886095 3.071535 0.000000 5.505712 7.360006 6.094746 11.586243 11.352828 4.882031 6.792565 10.852135 7.630499 7.761803 6.733166 7.278993 7.738857 6.796438 8.888811 5.346316 6.773641 9.022702 7.337906 9.418774 8.681491 5.060357 4.451184 3.216958 2.127124 1.096454 6.754916 7.981221 8.728892 6.795872 5.728059 7.348269 8.341896 7.153351 7.486036 9.055286 8.956070 9.793634 4.729592 5.432752 9.837021 9.243921 5.193993 4.186390 5.949165 3.545921 2.550411 0.000000 5.489468 7.887890 6.772113 11.306123 11.352883 4.867657 7.269033 10.717907 7.071971 6.901346 5.804845 6.073885 7.432130 5.572728 8.336020 4.094835 6.719149 8.725169 7.502738 9.306008 8.783611 3.490692 4.443035 3.222169 2.126553 1.096155 6.248505 6.970842 7.867205 6.066907 4.811483 5.987670 7.161556 6.125179 6.127512 8.694528 8.274933 9.188390 3.750935 4.247467 9.406894 9.470949 3.680365 2.534029 4.290991 3.555039 2.540893 1.753486 0.000000 4.854745 7.621089 6.090476 11.004449 11.060793 4.914827 6.812583 10.403399 6.562973 6.758003 5.968567 6.602128 6.954603 6.468117 7.663858 5.156401 6.206941 8.321170 7.058958 8.941673 8.410336 4.555193 4.125841 2.673069 2.154836 1.091767 5.586173 6.805890 7.806877 6.266833 4.882981 6.488555 7.680670 7.008139 7.179216 7.831490 7.582014 8.632257 4.585465 5.571436 9.025665 9.134290 4.327829 3.827410 5.452877 2.500441 3.106867 1.781698 1.781678 0.000000 C18H24N2O6 C1 1 C1 1 C1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 340.2023999999997 AuxInfo=1/0/N:9;10;11;12;13;14;15;16;17;18;19;20;21;22;23;24;25;26;7;8;1;2;3;4;5;6;27;28;29;30;31;32;33;34;35;36;37;38;39;40;41;42;43;44;45;46;47;48;49;50/rA:50nO0O0O0O0O0O0N0N0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:-.3766,1.0089,1.1754;1.6252,3.3601,-1.3841;.6766,3.4875,.5585;4.9461,-1.833,-.488;5.3023,.1135,-1.363;-1.1497,1.5136,-.9008;1.2884,2.8783,-.3107;4.6113,-.6773,-.7287;.3967,-1.641,1.7812;-.3038,-2.6376,.8288;-1.2279,-1.9776,-.197;-2.0336,-2.9822,-1.0245;1.2801,-.6777,1.0032;-2.8278,-2.3406,-2.1741;1.1795,-2.3772,2.8789;-3.7719,-1.198,-1.765;.8535,.6265,.7067;2.5243,-1.0825,.5221;1.678,1.4869,-.0373;3.3079,-.215,-.2299;2.9053,1.077,-.5281;-4.81,-1.589,-.7101;-1.3686,1.4071,.2816;-2.6183,1.6229,1.0023;-3.7333,1.9721,.3456;-5.0611,2.1886,.978;-.3815,-1.0505,2.2683;-.8844,-3.3318,1.4478;.4584,-3.2373,.3153;-.6414,-1.3437,-.8723;-1.9173,-1.3096,.3305;-2.713,-3.5306,-.3609;-1.3529,-3.7316,-1.4473;-2.12,-1.9553,-2.9188;-3.4107,-3.1222,-2.6777;1.7018,-1.6752,3.535;.4881,-2.9628,3.491;1.9169,-3.0696,2.4632;-3.1841,-.3499,-1.3998;-4.2892,-.8407,-2.6632;2.8837,-2.083,.717;3.5229,1.7489,-1.106;-4.3417,-1.8453,.245;-5.5084,-.7677,-.5216;-5.3969,-2.4558,-1.0345;-2.6038,1.4675,2.0746;-3.6753,2.1069,-.732;-5.4078,3.2098,.7802;-5.8035,1.5206,.5262;-5.0419,2.0221,2.0569; 0.2645891 0.1407816 0.1124364 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= 716 RedAO= T EigKep= 1.04D-06 NBF= 716 NBsUse= 713 1.00D-06 EigRej= 6.81D-07 NBFU= 713 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= 731 731 731 731 731 MxSgAt= 50 MxSgA2= 50. 1 Closed 1 1 1 -1261.45935722222 -1261.45935722 1 1.256379011648e+03 -7.917053662927e+03 2.912075566005e+03 Using DIIS extrapolation, IDIIS= 1040. NGot= 4246732800 LenX= 4245605578 LenY= 4245054272 Requested convergence on RMS density matrix=1.00D-08 within 128 cycles. Requested convergence on MAX density matrix=1.00D-06. Requested convergence on energy=1.00D-06. No special actions if energy rises. Fock matrices will be formed incrementally for 20 cycles. Using compressed storage, NAtomX= 50. Will process 51 centers per pass. Symmetrizing basis deriv contribution to polar: IMax=3 JMax=2 DiffMx= 0.00D+00 Minotr: Closed shell wavefunction. IDoAtm=11111111111111111111111111111111111111111111111111 NEqPCM: Using equilibrium solvation (IEInf=0, Eps= 9.8629, EpsInf= 2.0435) Direct CPHF calculation. Differentiating once with respect to electric field. with respect to dipole field. Differentiating once with respect to nuclear coordinates. Requested convergence is 1.0D-08 RMS, and 1.0D-07 maximum. Secondary convergence is 1.0D-12 RMS, and 1.0D-12 maximum. NewPWx=T KeepS1=F KeepF1=F KeepIn=T MapXYZ=F SortEE=F KeepMc=T. 15489 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= 770000000 NMat= 150 IRICut= 375 DoRegI=T DoRafI=T ISym2E= 2 IDoP0=3 IntGTp=3. There are 153 degrees of freedom in the 1st order CPHF. IDoFFX=6 NUNeed= 3. 150 vectors produced by pass 0 Test12= 5.98D-14 1.00D-09 XBig12= 3.34D+02 7.99D+00. AX will form 150 AO Fock derivatives at one time. 150 vectors produced by pass 1 Test12= 5.98D-14 1.00D-09 XBig12= 9.57D+01 3.31D+00. 150 vectors produced by pass 2 Test12= 5.98D-14 1.00D-09 XBig12= 5.79D-01 7.26D-02. 150 vectors produced by pass 3 Test12= 5.98D-14 1.00D-09 XBig12= 3.52D-03 4.50D-03. 150 vectors produced by pass 4 Test12= 5.98D-14 1.00D-09 XBig12= 1.10D-05 2.82D-04. 122 vectors produced by pass 5 Test12= 5.98D-14 1.00D-09 XBig12= 1.90D-08 1.21D-05. 49 vectors produced by pass 6 Test12= 5.98D-14 1.00D-09 XBig12= 3.03D-11 4.23D-07. 3 vectors produced by pass 7 Test12= 5.98D-14 1.00D-09 XBig12= 4.50D-14 1.59D-08. InvSVY: IOpt=1 It= 1 EMax= 3.02D-14 Solved reduced A of dimension 924 with 153 vectors. FullF1: Do perturbations 1 to 3. Isotropic polarizability for W= 0.000000 359.97 Bohr**3. End of Minotr F.D. properties file 721 does not exist. 426.526 -44.755 357.894 -38.353 -30.637 295.476 436.998 -43.495 401.762 -55.842 -40.091 354.331 (Enter /usr/local/gaussian/gaussian16/g16/l716.exe) PT181191.700S 2022-06-17T20:39:49.000 -19.20044 -19.18503 -19.18418 -19.18115 -19.18100 -19.13629 -14.57966 -14.57617 -10.32929 -10.28866 -10.26588 -10.25878 -10.22814 -10.21996 -10.21860 -10.20740 -10.18832 -10.18717 -10.17180 -10.16456 -10.15970 -10.15560 -10.15449 -10.15392 -10.15367 -10.14908 -1.26297 -1.25835 -1.14122 -1.08787 -1.08326 -1.05715 -0.92513 -0.85419 -0.84563 -0.82335 -0.80319 -0.78175 -0.75514 -0.74715 -0.73596 -0.71355 -0.69841 -0.66245 -0.65502 -0.64136 -0.61011 -0.60291 -0.59349 -0.57791 -0.56713 -0.56473 -0.56091 -0.55203 -0.54941 -0.54691 -0.53944 -0.53403 -0.51908 -0.51226 -0.48239 -0.47907 -0.46800 -0.45630 -0.45118 -0.44483 -0.43788 -0.43128 -0.42505 -0.42300 -0.41610 -0.41188 -0.40200 -0.39326 -0.38724 -0.37912 -0.37668 -0.37211 -0.36475 -0.36358 -0.35345 -0.34418 -0.34289 -0.34182 -0.34065 -0.33567 -0.33367 -0.32972 -0.32698 -0.32245 -0.31592 -0.31166 -0.30859 -0.30434 -0.29587 -0.28498 -0.27789 -0.12067 -0.11345 -0.06690 -0.03941 -0.01854 0.00341 0.01105 0.01432 0.01683 0.02588 0.02891 0.03426 0.03485 0.03570 0.04343 0.04852 0.05196 0.05346 0.05856 0.06403 0.06657 0.06924 0.07111 0.07456 0.07987 0.08173 0.08389 0.08691 0.08851 0.09030 0.09464 0.10012 0.10434 0.10658 0.10910 0.11043 0.11479 0.11650 0.12085 0.12281 0.12577 0.12695 0.13002 0.13326 0.13694 0.13864 0.14249 0.14506 0.15059 0.15196 0.15478 0.15973 0.16108 0.16357 0.16455 0.16985 0.17368 0.17502 0.17730 0.17798 0.18077 0.18504 0.18752 0.18861 0.19352 0.19364 0.19673 0.19796 0.19859 0.20091 0.20376 0.20635 0.21107 0.21129 0.21483 0.21824 0.22000 0.22157 0.22437 0.22962 0.22973 0.23132 0.23275 0.23329 0.23728 0.23958 0.24333 0.24446 0.24905 0.25006 0.25123 0.25253 0.25478 0.25855 0.26309 0.26470 0.26796 0.26878 0.27126 0.27335 0.27757 0.28140 0.28330 0.28588 0.28947 0.29374 0.29743 0.29776 0.30031 0.30296 0.30601 0.30748 0.31005 0.31592 0.31678 0.32033 0.32226 0.32566 0.32778 0.32903 0.33492 0.33809 0.34040 0.34501 0.34701 0.35415 0.35474 0.35974 0.36557 0.36866 0.37104 0.37865 0.38235 0.38772 0.38864 0.39476 0.39578 0.39951 0.40471 0.40866 0.41046 0.41620 0.41949 0.42445 0.43022 0.43257 0.44088 0.44458 0.44816 0.45289 0.45594 0.45828 0.46599 0.47076 0.47255 0.47854 0.48648 0.49011 0.49528 0.49784 0.50097 0.51318 0.52351 0.52503 0.52607 0.52931 0.53871 0.54674 0.55164 0.55965 0.56882 0.57661 0.57699 0.58559 0.58739 0.58896 0.59406 0.60788 0.61481 0.62446 0.63174 0.63639 0.63901 0.64227 0.64618 0.64957 0.65179 0.65611 0.66505 0.66737 0.67390 0.67525 0.68035 0.68238 0.68634 0.69323 0.70102 0.70221 0.70701 0.70914 0.71238 0.71594 0.71929 0.71974 0.72305 0.73391 0.73609 0.73925 0.74157 0.74810 0.75161 0.75734 0.75958 0.76292 0.76571 0.77421 0.78582 0.79044 0.79240 0.79815 0.80912 0.81597 0.82317 0.83047 0.83486 0.84050 0.84440 0.85151 0.85973 0.86492 0.86608 0.88555 0.88894 0.89571 0.90594 0.91105 0.91909 0.92329 0.93080 0.93883 0.94389 0.95041 0.96527 0.96571 0.97289 0.97952 0.98530 0.99393 1.00715 1.01080 1.01969 1.02914 1.03203 1.04063 1.04757 1.05614 1.05803 1.06515 1.07434 1.07988 1.08499 1.10208 1.10382 1.10894 1.11982 1.13136 1.13656 1.13898 1.16469 1.16616 1.17251 1.17928 1.18131 1.18880 1.19347 1.20393 1.21129 1.21510 1.22193 1.23222 1.24065 1.24355 1.25253 1.26645 1.27454 1.27921 1.28192 1.29213 1.29730 1.31369 1.33245 1.33702 1.35454 1.35938 1.37127 1.37528 1.39048 1.39943 1.40176 1.41908 1.42592 1.44138 1.45386 1.45946 1.47435 1.47825 1.48453 1.49201 1.49610 1.51306 1.52107 1.52743 1.53090 1.54204 1.54595 1.55774 1.56504 1.56691 1.56862 1.57604 1.57731 1.57943 1.58653 1.59678 1.60208 1.60456 1.61056 1.61771 1.62074 1.62384 1.63322 1.64129 1.64858 1.65095 1.65489 1.66572 1.66938 1.67719 1.68065 1.68914 1.69047 1.70012 1.70970 1.71650 1.72306 1.72633 1.73020 1.73627 1.74341 1.74880 1.75943 1.76040 1.76709 1.77284 1.77796 1.78098 1.79072 1.79313 1.80474 1.81071 1.82644 1.83361 1.83772 1.84602 1.85658 1.85968 1.86868 1.87329 1.87798 1.88666 1.89344 1.89910 1.91389 1.92516 1.94144 1.94606 1.96105 1.96867 1.97173 1.98778 2.00091 2.00319 2.00869 2.01656 2.02376 2.03528 2.04551 2.05558 2.07126 2.07565 2.09099 2.10929 2.11192 2.12083 2.12933 2.14647 2.16033 2.16127 2.17140 2.18029 2.20215 2.20914 2.21404 2.23640 2.23713 2.25245 2.26041 2.26348 2.27274 2.27657 2.28891 2.30189 2.31817 2.32421 2.33600 2.34462 2.35457 2.35925 2.37189 2.37768 2.38371 2.40302 2.41050 2.42903 2.43398 2.45105 2.45403 2.46464 2.47135 2.47613 2.49495 2.50412 2.52573 2.52875 2.53954 2.54149 2.54687 2.55655 2.56766 2.57288 2.57800 2.58634 2.58992 2.60043 2.60237 2.61876 2.62312 2.63855 2.64272 2.65027 2.65831 2.67332 2.67702 2.68414 2.69356 2.70736 2.71322 2.71784 2.72684 2.73685 2.73898 2.74482 2.75012 2.76173 2.76511 2.77503 2.77714 2.79839 2.80053 2.80614 2.81428 2.82248 2.83145 2.83674 2.83856 2.84383 2.85296 2.85799 2.86535 2.87492 2.87532 2.88667 2.88834 2.90034 2.90325 2.91729 2.92020 2.93289 2.93983 2.95060 2.95777 2.97627 2.97927 3.00384 3.01923 3.02391 3.03007 3.04074 3.07262 3.07902 3.08211 3.08968 3.09859 3.10872 3.11534 3.12972 3.18193 3.19662 3.20286 3.21502 3.22357 3.23732 3.27339 3.28126 3.29092 3.30173 3.31511 3.32966 3.35070 3.35512 3.35919 3.37971 3.39821 3.40404 3.45429 3.47953 3.50380 3.54170 3.56311 3.56748 3.59063 3.62752 3.64277 3.67916 3.70124 3.72661 3.76299 3.77808 3.78280 3.78692 3.79933 3.80467 3.81081 3.81504 3.82441 3.83951 3.84655 3.86311 3.86329 3.87112 3.88650 3.90311 3.92279 3.95037 4.05677 4.09159 4.11108 4.13186 4.14550 4.19129 4.21230 4.23377 4.27129 4.34925 4.38018 4.41426 4.42489 4.50617 4.53403 4.69354 4.73797 4.83663 4.97710 4.99937 5.03357 5.07927 5.08928 5.10413 5.14768 5.15857 5.16717 5.21297 5.30517 5.42361 5.67158 5.73806 5.76254 5.95696 6.23734 6.24742 23.54052 23.76215 23.84798 23.86529 23.88516 23.90830 23.91643 23.93222 23.93919 23.96142 23.96438 23.97955 23.98721 24.01240 24.01896 24.07078 24.14812 24.21970 35.38012 35.41056 49.87327 49.88111 49.96175 49.98253 49.98567 50.03328 1-A. Mulliken charges: 1 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 50 O O O O O O N N 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 0.102278 -0.023542 0.042896 -0.053659 -0.049861 -0.163549 -0.215501 -0.176520 0.237670 -0.406872 -0.186502 -0.396598 1.274636 -0.560832 -0.667185 -0.056715 0.173079 -0.837616 0.214713 -0.249969 -0.097138 -0.571584 -0.698791 -0.115931 0.257888 -0.776599 0.179098 0.160351 0.172514 0.186726 0.183086 0.160393 0.152591 0.153137 0.147243 0.160517 0.161797 0.168789 0.141756 0.137138 0.196171 0.210746 0.148345 0.142094 0.144091 0.176954 0.190668 0.184264 0.177706 0.165630 -0.00000 Mulliken charges with hydrogens summed into heavy atoms: 1 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 O O O O O O N N C C C C C C C C C C C C C C C C C C 0.102278 -0.023542 0.042896 -0.053659 -0.049861 -0.163549 -0.215501 -0.176520 0.416768 -0.074007 0.183310 -0.083614 1.274636 -0.260453 -0.176083 0.222179 0.173079 -0.641445 0.214713 -0.249969 0.113608 -0.137053 -0.698791 0.061023 0.448556 -0.248999 -0.00000 -3.11656736e+00 -1.52691085e+00 2.09940481e+00 4.26525716e+02 -4.47548447e+01 3.57893821e+02 -3.83531494e+01 -3.06371215e+01 2.95475585e+02 -13.3317 -7.6554 -4.8606 -0.0003 0.0004 0.0007 27.9748 30.0987 34.7236 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 50 51 52 53 54 55 56 57 58 59 60 61 62 63 64 65 66 67 68 69 70 71 72 73 74 75 76 77 78 79 80 81 82 83 84 85 86 87 88 89 90 91 92 93 94 95 96 97 98 99 100 101 102 103 104 105 106 107 108 109 110 111 112 113 114 115 116 117 118 119 120 121 122 123 124 125 126 127 128 129 130 131 132 133 134 135 136 137 138 139 140 141 142 143 144 A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A 27.7840 29.8707 34.3335 35.4428 43.0756 57.9482 64.3336 70.9028 80.8420 102.2275 113.5968 122.2627 129.9915 144.7234 150.9676 165.4983 172.9916 185.7601 196.0225 200.8441 208.1659 233.5397 247.2137 267.4789 279.7370 286.8074 302.4739 310.4402 344.0437 351.7563 372.4036 391.7465 406.5968 440.2395 450.5567 475.6799 516.5172 533.9701 542.3875 563.6291 583.7778 656.3943 692.6567 715.5821 728.6622 739.8677 752.1040 767.3811 770.6250 794.5006 812.1927 816.9417 836.0027 848.3545 859.0462 888.9292 903.0856 921.5796 925.4562 943.9792 945.2446 947.2393 962.9780 968.3144 989.0273 998.3115 1014.2774 1042.8286 1060.3757 1076.4215 1087.4722 1100.3203 1105.2400 1107.6765 1126.6728 1142.1043 1152.9945 1157.1291 1194.9171 1204.6714 1238.7834 1254.7355 1271.1255 1287.0694 1300.5226 1319.5589 1325.1345 1331.6942 1340.5787 1347.4124 1349.7240 1350.8852 1367.0003 1378.5722 1380.8402 1385.6754 1396.4892 1397.4800 1409.5706 1410.6396 1417.5540 1446.3506 1457.4416 1463.4066 1472.0489 1474.2858 1480.7268 1482.3814 1485.7345 1489.3286 1491.9576 1497.1965 1504.1945 1505.6295 1531.8798 1550.6697 1626.2030 1637.9712 1682.8616 1757.6354 2993.2200 3001.8048 3003.9155 3011.3082 3013.7679 3014.7741 3018.4728 3021.7144 3025.4373 3030.3659 3037.6564 3053.7576 3057.9901 3060.9857 3072.6679 3072.9263 3079.4019 3092.6752 3094.9711 3106.9371 3153.3293 3189.4404 3226.3308 3235.4236 5.2339 8.2404 5.4681 7.4987 3.5178 3.7267 3.4567 7.8201 3.5538 2.4192 4.1352 2.3930 4.1934 3.9236 3.7901 8.3941 2.3796 2.7891 1.8062 1.5996 2.8061 2.6419 3.1748 1.2736 1.5811 5.6985 2.3454 5.6783 5.8745 9.7658 2.6438 4.7540 4.0456 5.0942 2.9061 5.6295 4.4710 4.2270 2.9920 4.1451 4.8872 4.1720 2.8224 9.3775 4.8288 1.1597 8.0029 7.2250 1.6933 2.6486 3.9416 2.9115 6.8674 2.1253 1.5577 3.1929 1.5212 1.5804 2.1712 1.8148 2.1684 5.9485 4.3691 1.7535 1.0879 1.7481 1.8429 2.0039 1.9866 1.6148 2.1775 2.1572 2.6562 1.6699 1.9699 2.0065 2.5991 2.2149 1.4523 3.7445 2.3977 1.3430 1.7737 1.3700 1.2769 1.1908 1.3754 1.7204 1.6650 1.4113 1.6071 3.4948 1.3812 12.0121 1.3536 1.4056 1.3087 1.6976 1.3669 1.3666 1.2767 3.5971 1.0443 1.1072 1.0948 1.2126 1.8430 1.0469 1.0805 1.1830 1.0535 1.0908 1.0898 1.0875 11.3904 9.5168 7.0331 8.2817 5.4716 10.9858 1.0610 1.0593 1.0598 1.0408 1.0607 1.0376 1.0637 1.0985 1.0356 1.0989 1.1022 1.0957 1.1035 1.0980 1.0949 1.0946 1.1018 1.1028 1.0990 1.1020 1.0908 1.0916 1.0913 1.0933 0.0024 0.0043 0.0038 0.0055 0.0038 0.0074 0.0084 0.0232 0.0137 0.0149 0.0314 0.0211 0.0417 0.0484 0.0509 0.1355 0.0420 0.0567 0.0409 0.0380 0.0716 0.0849 0.1143 0.0537 0.0729 0.2762 0.1264 0.3224 0.4097 0.7119 0.2160 0.4298 0.3941 0.5817 0.3476 0.7505 0.7028 0.7101 0.5186 0.7758 0.9813 1.0591 0.7978 2.8291 1.5106 0.3740 2.6672 2.5067 0.5925 0.9851 1.5319 1.1449 2.8278 0.9012 0.6773 1.4865 0.7310 0.7908 1.0956 0.9528 1.1415 3.1447 2.3871 0.9687 0.6270 1.0265 1.1170 1.2840 1.3161 1.1024 1.5172 1.5388 1.9117 1.2071 1.4733 1.5421 2.0357 1.7473 1.2217 3.2017 2.1679 1.2458 1.6886 1.3372 1.2725 1.2216 1.4230 1.7975 1.7630 1.5096 1.7249 3.7575 1.5207 13.4501 1.5206 1.5902 1.5037 1.9533 1.6002 1.6023 1.5115 4.4335 1.3069 1.3970 1.3977 1.5529 2.3808 1.3554 1.4053 1.5461 1.3816 1.4406 1.4527 1.4524 15.7484 13.4827 10.9584 13.0913 9.1299 19.9959 5.6008 5.6240 5.6346 5.5608 5.6764 5.5563 5.7101 5.9096 5.5847 5.9455 5.9920 6.0201 6.0799 6.0617 6.0904 6.0897 6.1560 6.2145 6.2022 6.2677 6.3907 6.5424 6.6930 6.7432 0.5060 0.1798 1.5077 0.2713 1.4239 0.1494 0.0953 1.6309 2.1089 0.7543 2.8083 0.3258 4.2908 2.7906 2.9388 3.8524 0.9018 3.3898 1.9019 4.4734 1.2241 0.3826 0.5711 0.2948 0.1270 2.7513 0.1368 10.0566 2.6046 0.6280 0.6125 1.7680 2.1511 12.3380 0.4204 0.6023 9.1099 7.5570 0.6454 3.2253 2.0670 0.9620 18.6642 38.6188 21.5641 11.2499 25.1657 1.8055 22.1786 16.7017 38.9008 29.7215 52.2425 30.6815 2.9585 7.8388 1.8865 15.5270 11.7915 19.9751 3.3805 21.1649 807.7391 1.6204 66.2847 1.8954 3.9587 4.5536 2.6672 1.7648 35.7875 73.3870 941.5536 97.0574 47.8017 8.2538 219.0199 1.3336 4.8017 11.2659 124.9503 1.0244 35.6094 24.2566 20.9142 12.0342 110.8671 68.4227 60.9239 21.4564 222.6706 542.7194 0.5794 400.5734 6.1147 1.0040 13.5086 8.0909 8.9951 3.8754 3.2414 46.6881 16.8369 90.3170 5.6646 9.6562 44.8809 3.5340 5.9916 19.2741 10.2937 11.1442 25.1938 6.4389 486.8693 694.2633 113.9665 44.9469 400.1357 376.0438 32.8051 3.1947 50.8228 43.2718 122.5631 6.1071 47.7672 23.9029 37.6204 75.2516 9.4950 27.5331 139.0321 12.9288 63.1032 56.6104 90.9266 48.0617 71.0923 19.0903 4.7742 1.9418 8.9476 39.0071 -0.03 -0.10 -0.06 -0.05 -0.02 0.01 -0.08 -0.06 -0.00 0.12 0.10 0.08 0.08 0.12 0.10 -0.00 -0.07 -0.06 -0.05 -0.04 -0.00 0.08 0.08 0.07 0.04 -0.08 -0.06 0.02 -0.06 -0.06 -0.02 -0.04 -0.01 -0.08 -0.01 0.02 0.02 -0.05 -0.04 -0.13 0.01 0.06 0.06 -0.11 -0.09 -0.07 0.04 0.12 -0.01 -0.07 -0.04 0.05 -0.01 -0.02 -0.02 -0.03 -0.01 0.04 0.03 0.02 0.01 0.02 0.02 -0.02 0.08 0.18 -0.01 -0.06 -0.07 -0.00 -0.00 -0.07 0.03 0.10 -0.07 0.04 0.20 -0.07 0.05 -0.10 -0.02 0.05 -0.08 -0.07 0.01 -0.04 -0.11 -0.05 -0.04 -0.04 0.02 -0.03 0.03 -0.06 -0.00 0.05 -0.12 -0.03 -0.02 -0.16 -0.01 0.02 -0.18 0.03 0.10 0.08 -0.13 -0.09 0.07 -0.12 -0.09 0.05 -0.10 -0.12 -0.02 0.02 0.08 -0.11 0.05 0.15 0.08 0.00 -0.01 0.01 0.05 0.05 0.03 0.06 0.15 0.02 0.10 0.22 -0.07 0.10 0.22 -0.02 -0.03 -0.07 0.05 0.13 -0.06 0.14 0.24 -0.03 -0.02 0.29 -0.10 0.02 0.16 -0.08 -0.00 -0.03 0.01 -0.10 -0.11 -0.14 -0.03 -0.03 -0.11 0.20 0.12 0.38 -0.11 -0.09 -0.21 -0.07 -0.03 0.03 -0.06 -0.06 -0.11 0.04 0.01 0.07 0.01 -0.02 0.01 -0.00 0.00 -0.02 0.02 0.03 -0.02 0.02 0.07 -0.05 0.01 -0.02 0.02 0.06 0.11 -0.06 -0.01 -0.05 -0.01 0.09 0.13 -0.07 -0.01 -0.03 -0.02 0.02 -0.00 0.05 -0.03 -0.04 -0.06 0.01 -0.01 0.02 -0.03 -0.04 -0.05 0.04 0.14 -0.11 -0.03 -0.02 0.04 -0.00 -0.02 0.09 -0.03 -0.01 0.14 0.00 -0.01 0.20 0.01 -0.02 0.01 -0.02 0.00 -0.03 -0.00 -0.00 -0.02 0.04 0.04 -0.00 0.02 0.03 -0.02 -0.01 0.07 -0.08 0.01 0.05 -0.05 0.10 0.10 -0.04 0.06 0.13 -0.09 -0.00 -0.07 0.01 -0.01 -0.05 -0.02 -0.01 -0.05 -0.01 0.10 0.10 -0.04 0.12 0.16 -0.08 0.05 0.01 0.08 -0.04 -0.05 -0.08 0.01 0.11 -0.10 0.06 0.15 -0.11 0.03 0.16 -0.14 0.04 -0.03 0.09 -0.07 -0.00 0.14 0.00 -0.00 0.23 -0.02 0.00 0.23 0.05 -0.02 0.20 0.03 0.05 -0.02 0.13 0.07 0.06 0.07 0.04 0.03 0.11 0.05 0.22 -0.04 -0.08 -0.13 0.04 0.08 -0.02 0.09 0.05 0.04 0.03 -0.01 0.03 -0.03 0.02 -0.07 -0.03 0.03 -0.08 -0.06 0.03 -0.06 -0.04 0.01 -0.05 -0.01 0.02 -0.04 -0.13 -0.01 0.00 -0.06 0.01 -0.06 -0.20 -0.09 0.08 0.03 0.03 -0.02 -0.01 0.00 -0.03 0.05 0.03 0.01 0.02 0.00 0.01 0.05 0.01 0.02 -0.11 -0.19 0.12 0.03 0.05 -0.02 0.02 0.00 -0.02 0.00 -0.06 -0.03 -0.01 -0.14 -0.03 -0.04 0.03 -0.08 -0.01 0.01 -0.08 -0.03 0.05 -0.10 -0.08 0.05 -0.06 -0.06 0.00 -0.04 0.02 -0.04 -0.04 -0.02 0.06 -0.10 -0.19 0.07 -0.02 -0.10 -0.03 0.00 -0.06 0.01 -0.05 -0.07 0.02 -0.07 -0.06 0.00 -0.05 -0.24 -0.05 0.07 -0.27 -0.10 0.12 -0.03 -0.01 -0.04 0.08 0.01 0.04 -0.05 -0.18 0.10 -0.17 -0.25 0.18 -0.06 -0.23 0.13 0.02 -0.00 -0.03 -0.00 -0.06 -0.03 -0.08 -0.17 -0.05 0.03 -0.20 -0.02 -0.00 -0.13 -0.03 0.04 0.04 -0.03 0.02 -0.08 -0.16 0.02 0.02 -0.17 -0.03 -0.06 -0.06 0.22 0.08 0.36 -0.06 0.02 0.00 0.02 -0.02 -0.14 0.08 0.01 0.11 -0.02 0.03 -0.05 -0.04 0.05 -0.05 -0.04 0.06 -0.04 -0.04 0.06 -0.05 0.00 0.01 -0.03 -0.07 0.07 -0.03 -0.05 0.01 -0.04 -0.10 0.03 0.01 0.02 0.02 -0.05 0.01 0.00 0.00 0.03 -0.00 -0.07 0.04 -0.00 0.03 0.05 -0.01 -0.01 -0.07 -0.02 0.01 -0.01 0.01 0.01 0.02 -0.03 0.07 -0.04 -0.10 0.13 -0.01 -0.19 0.21 -0.01 0.04 -0.05 -0.03 0.04 -0.06 -0.04 0.05 -0.07 -0.05 0.07 -0.04 -0.04 0.05 -0.03 -0.02 0.04 -0.05 -0.04 0.08 -0.07 -0.09 0.10 -0.02 -0.06 0.06 -0.04 -0.04 -0.01 -0.04 -0.07 0.02 -0.05 -0.06 -0.01 -0.04 -0.12 0.04 0.02 -0.12 0.04 0.02 0.01 0.01 0.02 0.06 -0.02 -0.01 -0.06 -0.01 0.01 -0.10 -0.04 0.03 -0.05 -0.03 0.01 0.08 -0.01 0.07 -0.11 -0.12 0.13 -0.10 -0.22 0.20 0.01 -0.25 0.27 0.07 -0.16 0.21 0.00 -0.02 -0.02 0.03 0.03 0.03 0.01 -0.01 0.03 0.03 0.02 -0.00 0.00 0.01 -0.03 0.03 0.03 -0.02 0.02 0.01 0.02 0.02 0.01 -0.01 0.03 0.01 0.02 -0.03 0.02 0.04 -0.04 0.02 0.06 -0.11 0.02 0.12 0.02 -0.00 -0.01 -0.05 -0.00 0.07 0.05 -0.01 -0.01 0.03 0.09 -0.02 0.01 -0.01 -0.01 0.02 0.00 -0.01 0.01 0.00 -0.00 0.01 0.00 -0.01 0.01 0.01 -0.00 -0.03 0.24 -0.02 0.01 -0.02 -0.03 -0.02 -0.11 -0.05 -0.02 -0.12 -0.06 -0.04 -0.23 -0.08 0.05 0.02 0.04 -0.03 0.04 0.07 -0.06 -0.01 0.03 -0.04 -0.03 0.02 0.00 0.07 0.06 -0.15 0.12 0.16 -0.16 -0.06 0.18 -0.02 -0.11 0.05 -0.11 0.00 0.12 0.09 -0.02 -0.03 0.06 0.01 0.01 0.02 -0.03 -0.04 0.08 0.07 -0.07 0.07 0.07 -0.06 0.02 0.00 -0.01 0.02 0.01 0.01 -0.07 0.29 0.01 0.02 0.30 -0.10 -0.07 0.25 0.04 -0.04 -0.18 -0.06 0.00 -0.05 -0.05 -0.09 -0.23 -0.02 0.00 -0.23 -0.14 -0.06 -0.30 -0.09 -0.02 -0.02 0.01 -0.11 -0.07 -0.06 0.03 0.00 0.00 -0.04 -0.04 -0.04 -0.02 -0.03 -0.01 0.04 0.04 0.00 -0.03 -0.03 -0.02 -0.02 -0.03 -0.01 0.01 -0.01 0.04 0.02 0.02 -0.00 0.06 0.07 -0.01 0.09 0.11 -0.09 0.01 0.00 0.06 0.04 0.20 -0.01 -0.01 -0.04 0.03 -0.00 0.11 0.13 -0.00 -0.01 0.03 0.01 0.00 0.06 -0.02 -0.02 0.01 -0.01 -0.01 0.02 -0.02 -0.02 -0.00 0.08 -0.04 0.16 0.00 -0.01 -0.01 -0.03 -0.06 -0.05 -0.00 -0.02 -0.08 -0.04 -0.09 -0.14 0.00 -0.02 0.04 -0.00 0.01 -0.04 0.03 0.03 -0.00 0.08 0.10 0.04 0.04 0.04 0.01 0.12 0.02 -0.14 0.12 0.19 -0.18 0.01 0.31 0.02 0.07 0.22 -0.08 -0.02 -0.06 0.06 -0.02 -0.06 0.00 0.00 -0.03 0.02 -0.03 0.11 0.17 -0.07 0.15 0.19 0.02 0.01 0.07 -0.04 -0.03 -0.03 0.14 -0.08 0.11 0.03 -0.10 0.26 0.12 -0.05 0.12 -0.08 -0.15 -0.06 0.06 0.06 -0.06 -0.04 -0.08 -0.06 -0.01 -0.06 -0.24 -0.10 -0.19 -0.15 -0.02 0.02 -0.02 0.12 0.05 0.04 -0.06 0.00 -0.04 -0.04 -0.03 0.02 -0.01 -0.04 0.01 -0.04 0.01 -0.02 0.02 0.02 -0.00 -0.02 -0.02 0.01 -0.05 0.01 -0.04 0.03 -0.03 -0.05 0.08 -0.06 -0.11 0.04 -0.06 -0.06 -0.04 0.01 -0.02 -0.02 -0.06 -0.03 -0.08 0.06 0.02 0.08 0.01 0.02 -0.02 0.02 -0.02 -0.04 -0.00 -0.01 -0.01 0.01 -0.00 -0.02 -0.01 0.00 -0.00 -0.00 0.01 0.21 0.13 0.19 -0.03 0.01 -0.01 -0.03 -0.01 0.00 -0.04 -0.02 0.03 -0.03 -0.03 0.06 -0.09 -0.01 -0.10 0.00 -0.02 -0.07 0.07 -0.04 0.01 0.12 -0.11 -0.13 0.10 -0.00 -0.16 0.07 -0.04 -0.02 0.01 -0.08 -0.09 -0.06 -0.13 -0.10 -0.10 -0.05 0.06 -0.15 0.10 0.04 -0.10 0.05 -0.01 -0.03 0.09 0.08 0.16 0.01 -0.13 -0.03 -0.05 0.06 -0.05 -0.01 -0.01 0.01 -0.00 0.02 0.33 0.20 0.15 0.26 0.17 0.21 0.14 0.12 0.35 -0.01 -0.02 0.00 -0.07 -0.01 0.03 -0.03 -0.02 0.10 -0.04 -0.01 0.06 -0.00 -0.05 0.06 -0.01 -0.03 -0.00 0.36 0.10 0.12 -0.32 -0.07 -0.20 -0.02 -0.01 -0.05 -0.03 -0.02 -0.06 -0.05 -0.23 -0.04 0.01 0.01 -0.02 -0.01 -0.01 -0.03 0.03 0.01 0.05 -0.01 0.04 0.04 -0.02 0.07 0.08 0.03 0.11 -0.01 0.02 0.01 0.04 0.05 0.18 0.01 0.05 -0.02 0.01 -0.02 0.09 0.07 0.01 0.00 0.01 0.02 0.01 0.03 0.00 0.01 0.02 0.01 0.01 0.02 0.01 0.01 0.03 -0.07 -0.06 -0.04 -0.02 -0.11 -0.02 -0.00 -0.03 -0.01 -0.02 -0.06 -0.01 0.01 0.01 0.01 0.05 0.01 0.08 0.01 0.03 0.04 -0.02 0.04 0.01 -0.04 0.13 0.13 -0.05 0.01 0.12 0.02 0.04 -0.08 0.06 0.16 -0.05 0.07 0.28 0.08 0.12 0.20 -0.09 0.08 -0.04 0.01 0.05 -0.01 0.03 0.02 -0.03 -0.02 -0.07 0.08 0.19 0.02 0.17 0.07 0.02 0.01 0.03 0.01 0.00 0.03 -0.12 -0.15 -0.04 -0.11 -0.10 0.01 -0.02 -0.04 -0.17 0.02 0.07 0.00 -0.04 -0.16 -0.02 0.00 -0.01 -0.09 -0.01 -0.03 0.10 0.04 0.12 0.03 -0.06 -0.08 -0.10 0.09 0.05 0.04 -0.02 -0.05 -0.00 0.01 -0.01 0.01 0.02 -0.01 0.03 -0.02 0.25 -0.04 0.01 -0.01 -0.01 0.01 -0.01 0.01 0.02 -0.00 0.03 -0.01 -0.01 0.06 0.00 -0.01 0.06 0.03 -0.01 0.03 -0.00 -0.02 -0.02 0.06 0.01 0.02 0.05 0.02 0.02 0.03 -0.01 0.03 -0.04 -0.04 -0.07 0.00 -0.01 0.00 -0.03 -0.03 -0.06 -0.01 -0.02 -0.02 -0.02 -0.03 -0.04 -0.01 -0.07 -0.03 -0.04 0.05 -0.06 -0.05 -0.09 -0.04 -0.03 0.12 0.04 -0.03 0.01 0.09 0.04 0.01 0.04 -0.02 0.01 0.08 -0.02 -0.04 0.07 0.01 -0.01 0.07 -0.01 -0.02 0.05 0.02 -0.02 -0.00 0.05 0.01 0.03 0.08 0.05 0.05 0.09 0.02 -0.03 0.09 0.03 -0.02 0.07 0.04 0.06 0.03 -0.00 0.01 -0.00 -0.02 0.08 0.06 0.01 0.02 0.02 0.00 0.04 -0.01 -0.02 -0.02 -0.04 -0.11 -0.03 -0.02 -0.09 -0.02 0.01 -0.06 -0.10 -0.08 -0.35 -0.08 -0.02 0.39 0.07 0.06 0.10 0.42 -0.08 0.22 -0.14 -0.05 -0.34 0.04 -0.03 -0.02 -0.07 -0.03 0.04 0.04 0.06 -0.03 0.09 0.01 -0.00 0.03 0.02 -0.00 0.03 -0.04 -0.01 -0.07 0.00 -0.00 0.03 0.00 -0.01 0.01 0.00 -0.01 0.00 -0.01 -0.04 0.04 -0.01 -0.03 0.05 0.02 -0.00 -0.01 -0.02 -0.02 -0.04 0.04 0.06 0.01 0.04 0.03 0.01 0.05 0.05 0.06 -0.03 -0.03 -0.06 -0.02 -0.02 -0.04 -0.02 -0.03 -0.05 -0.02 -0.02 -0.04 -0.02 -0.02 -0.04 0.02 -0.01 0.01 -0.02 0.04 -0.06 0.02 0.15 -0.03 -0.05 -0.06 -0.02 -0.02 -0.03 0.04 0.01 -0.00 0.00 -0.00 -0.02 0.06 -0.01 -0.05 0.04 -0.01 -0.01 0.07 -0.02 -0.05 0.06 0.00 -0.04 -0.05 0.03 0.02 -0.03 0.06 0.10 0.05 0.05 0.10 -0.05 0.05 0.06 -0.03 0.06 0.05 0.05 0.03 0.02 0.01 0.05 0.02 0.13 0.08 0.12 0.07 -0.01 -0.01 -0.02 -0.01 -0.01 -0.02 -0.01 -0.08 0.00 0.03 -0.01 0.05 0.01 0.03 -0.07 0.10 0.35 -0.00 -0.14 -0.28 -0.05 -0.20 -0.16 -0.28 0.04 -0.31 0.35 0.12 0.34 0.10 -0.02 -0.04 0.05 0.08 -0.05 -0.02 -0.12 -0.02 -0.12 0.00 0.01 -0.01 -0.03 0.02 -0.00 0.04 0.23 0.09 -0.02 -0.03 -0.05 -0.01 0.01 0.00 0.03 -0.06 0.01 0.02 -0.02 -0.02 0.00 -0.01 0.00 -0.00 -0.02 0.02 0.00 -0.02 0.03 -0.00 -0.05 0.01 0.06 -0.14 -0.06 0.01 -0.03 -0.02 -0.02 -0.02 0.04 0.01 -0.01 0.03 -0.03 -0.02 0.01 -0.01 -0.00 0.02 -0.03 -0.02 0.01 0.03 0.01 0.01 0.02 0.14 0.08 0.02 0.19 0.07 0.01 0.02 -0.01 -0.04 -0.05 -0.10 0.04 -0.10 0.07 0.03 -0.05 -0.05 0.02 0.00 -0.05 -0.01 0.00 -0.01 0.01 -0.01 0.02 0.00 -0.00 0.04 -0.00 -0.03 0.04 -0.01 -0.09 -0.01 -0.02 -0.07 0.04 0.11 -0.20 -0.04 0.08 -0.16 -0.07 0.03 -0.14 -0.13 0.02 -0.02 -0.06 -0.00 -0.06 -0.03 0.01 -0.00 0.02 -0.04 -0.02 0.00 0.04 0.07 0.02 0.02 0.02 -0.02 0.03 -0.01 0.06 0.01 0.29 0.08 0.04 -0.12 -0.02 -0.24 -0.18 -0.41 0.11 -0.33 0.06 -0.05 0.26 -0.06 -0.01 -0.03 -0.05 -0.03 0.01 0.02 -0.00 -0.03 0.04 -0.01 -0.01 -0.01 -0.00 -0.01 -0.01 -0.00 -0.02 -0.05 -0.01 -0.01 0.02 0.00 -0.01 -0.00 0.01 0.03 0.05 -0.09 0.10 0.05 -0.03 0.12 0.01 0.02 0.08 0.01 0.02 0.01 0.04 0.02 -0.03 -0.04 0.03 -0.09 -0.04 -0.06 -0.07 -0.12 0.00 -0.01 -0.01 0.03 0.01 0.05 -0.00 -0.01 -0.01 0.01 0.00 0.02 0.00 -0.00 0.00 0.09 -0.01 0.06 -0.00 -0.01 -0.05 0.01 0.01 -0.04 -0.01 -0.01 -0.00 0.02 0.01 0.06 0.08 0.06 0.12 -0.16 0.16 0.06 -0.14 0.02 0.07 0.01 0.09 0.01 -0.05 0.14 -0.05 0.02 0.08 0.02 0.06 0.08 0.07 0.00 -0.04 -0.05 0.07 -0.10 0.00 0.13 -0.16 -0.04 0.02 -0.06 -0.02 -0.06 -0.13 -0.12 -0.11 0.05 -0.31 -0.19 -0.26 -0.12 0.04 0.02 0.07 -0.00 -0.01 -0.01 0.22 0.28 0.07 -0.03 -0.09 -0.07 0.21 -0.19 0.30 0.04 0.04 -0.03 -0.07 -0.05 -0.01 -0.01 -0.01 0.02 0.00 -0.03 0.16 0.09 0.09 0.07 -0.03 -0.06 -0.09 -0.06 -0.04 -0.00 -0.05 -0.02 0.00 -0.03 -0.03 -0.09 -0.04 -0.03 -0.09 0.04 0.06 -0.10 -0.03 -0.02 0.02 0.00 -0.00 -0.01 0.01 -0.01 0.00 0.11 -0.01 -0.08 0.10 -0.00 -0.08 -0.01 0.00 0.02 0.05 0.01 0.08 -0.06 -0.02 0.04 -0.09 -0.00 0.08 -0.03 0.01 0.03 0.01 -0.01 0.01 0.09 0.05 0.15 0.03 0.01 0.06 0.07 0.04 0.13 0.06 0.04 0.11 -0.11 0.02 -0.05 0.01 0.02 -0.11 0.03 0.04 -0.09 -0.02 0.00 -0.01 0.04 -0.02 0.13 -0.05 -0.03 -0.06 0.11 -0.06 -0.13 0.15 0.05 -0.07 0.11 -0.07 -0.13 0.16 0.06 -0.08 0.01 0.07 0.10 -0.08 -0.06 0.01 -0.08 -0.06 -0.00 -0.09 -0.03 0.09 -0.22 0.01 0.17 -0.14 -0.06 -0.03 -0.00 0.05 0.15 -0.01 -0.03 0.09 0.04 0.06 0.01 0.10 0.06 0.18 0.05 0.04 0.10 -0.18 -0.07 -0.04 -0.06 0.06 -0.04 -0.16 0.09 -0.14 0.09 0.07 -0.09 -0.13 -0.03 -0.02 -0.07 -0.07 0.07 0.03 -0.13 0.31 0.20 0.09 0.15 0.03 -0.06 0.02 0.04 -0.01 0.03 -0.02 -0.09 0.01 0.14 0.09 -0.07 -0.02 0.15 -0.00 0.04 0.03 0.04 -0.01 -0.06 -0.00 0.03 0.06 -0.04 -0.05 0.02 0.03 -0.08 0.00 0.07 0.07 0.01 -0.06 -0.01 0.04 -0.01 0.02 -0.06 0.00 -0.02 0.03 -0.01 -0.17 0.11 0.16 -0.06 0.00 -0.03 0.01 -0.06 -0.01 0.02 -0.06 -0.01 -0.03 -0.07 -0.05 -0.01 -0.05 -0.05 -0.05 -0.07 -0.08 -0.02 -0.01 0.00 0.04 -0.00 0.04 0.04 0.01 0.03 0.06 0.00 0.01 0.04 -0.01 -0.04 -0.06 0.10 -0.07 -0.20 0.13 0.09 -0.11 -0.13 0.18 0.19 -0.12 -0.09 0.12 0.15 -0.17 -0.03 0.10 0.03 -0.07 -0.02 0.00 -0.02 0.04 -0.01 0.00 0.01 -0.01 -0.30 0.17 0.20 -0.23 0.10 0.10 -0.08 0.13 0.29 -0.09 0.04 -0.06 -0.09 -0.05 -0.03 0.04 -0.05 0.02 -0.07 -0.08 -0.10 -0.00 0.11 0.02 -0.10 -0.05 -0.06 0.05 -0.08 0.07 0.03 0.01 0.03 0.09 -0.01 0.01 -0.01 -0.04 -0.11 0.08 -0.08 -0.01 0.02 0.06 -0.02 -0.00 0.01 0.02 -0.02 0.10 0.04 -0.01 -0.05 0.05 -0.05 -0.05 0.08 0.06 -0.09 0.05 -0.06 -0.03 0.04 -0.02 0.01 -0.00 -0.01 -0.05 0.02 0.06 0.01 0.02 0.10 0.04 -0.04 0.22 0.06 -0.14 0.03 0.07 0.04 0.03 0.04 0.03 -0.03 -0.01 0.05 0.08 -0.02 -0.01 -0.06 -0.01 -0.00 -0.01 0.01 -0.02 0.02 0.04 0.02 -0.04 -0.01 -0.09 -0.02 -0.01 -0.06 -0.06 -0.03 -0.14 -0.10 0.01 -0.04 -0.03 -0.01 0.04 -0.03 -0.01 0.05 -0.01 -0.01 0.01 -0.04 0.03 -0.06 0.04 -0.03 0.03 0.01 0.08 -0.08 0.12 -0.01 0.04 0.32 -0.14 -0.24 0.33 0.25 -0.23 0.05 0.21 0.18 -0.09 -0.06 0.06 -0.08 -0.04 -0.01 -0.04 -0.06 0.12 0.06 -0.03 0.02 0.09 -0.06 -0.04 0.09 0.01 -0.04 -0.08 0.01 -0.00 -0.03 -0.04 -0.03 0.04 0.06 0.08 -0.08 -0.05 -0.18 -0.14 0.06 -0.00 -0.13 -0.00 -0.11 -0.06 -0.02 -0.03 -0.04 0.01 0.05 0.03 -0.04 0.01 -0.01 0.03 -0.13 -0.02 0.02 -0.07 -0.10 0.08 -0.05 -0.08 0.00 -0.01 0.26 -0.08 -0.05 0.37 0.14 -0.01 0.08 0.09 -0.11 -0.11 0.16 -0.02 -0.16 -0.06 -0.01 0.17 -0.00 -0.04 -0.01 0.08 -0.02 0.01 -0.04 0.05 0.04 0.00 -0.02 0.05 0.02 -0.02 0.02 0.01 0.02 -0.00 0.01 0.10 -0.01 -0.02 0.02 -0.02 -0.16 -0.01 0.01 -0.01 0.02 -0.07 -0.02 0.01 0.03 0.02 0.15 -0.05 -0.06 -0.03 -0.01 -0.02 0.06 -0.06 -0.07 -0.01 -0.02 0.01 -0.01 -0.13 -0.04 -0.00 -0.13 -0.03 0.01 -0.14 -0.05 0.00 -0.13 0.09 -0.01 -0.00 -0.08 0.09 0.03 -0.04 -0.07 0.06 0.04 -0.03 0.05 -0.00 -0.04 0.06 0.03 -0.02 0.04 0.03 0.05 0.01 -0.01 0.02 -0.02 -0.05 -0.00 -0.02 -0.04 0.06 0.01 -0.25 0.07 -0.04 -0.20 -0.07 -0.04 -0.15 -0.06 0.02 -0.02 0.03 0.03 0.01 0.01 0.07 0.05 0.23 -0.08 -0.08 -0.04 -0.05 -0.04 -0.01 0.01 0.03 0.01 -0.06 0.05 -0.04 -0.12 0.04 0.02 -0.15 -0.12 -0.01 -0.05 0.10 -0.09 -0.18 0.12 0.03 -0.15 0.17 -0.00 -0.01 0.01 -0.00 0.00 -0.07 -0.03 0.00 0.06 -0.04 -0.00 0.01 0.00 -0.02 0.01 -0.01 0.00 -0.01 -0.01 0.01 0.01 0.01 -0.01 0.01 0.00 -0.00 -0.02 0.01 -0.09 -0.04 0.10 0.13 -0.03 -0.09 -0.01 0.01 0.01 -0.04 -0.03 -0.05 0.01 0.04 0.01 0.09 0.01 -0.04 -0.01 0.02 0.02 -0.01 -0.00 0.01 -0.06 -0.04 -0.09 0.03 0.02 0.08 -0.00 0.00 0.02 0.05 0.04 0.12 -0.02 -0.03 -0.01 -0.01 0.00 -0.01 -0.01 0.00 -0.02 -0.02 0.01 -0.01 -0.01 -0.00 0.02 0.04 0.01 0.05 -0.26 0.16 0.16 -0.15 -0.26 0.27 0.31 -0.26 -0.14 0.22 0.19 -0.25 -0.05 0.13 0.06 -0.11 -0.09 0.02 0.02 0.06 0.03 0.02 0.05 -0.02 0.18 0.02 -0.12 0.15 0.05 0.05 0.03 -0.02 -0.09 -0.04 0.03 0.04 -0.01 0.02 0.01 -0.10 -0.07 -0.17 0.08 0.07 0.19 -0.04 0.04 0.02 -0.09 -0.07 -0.06 0.06 -0.08 0.00 -0.01 -0.00 -0.02 -0.03 0.02 -0.01 -0.02 -0.00 0.03 -0.01 -0.01 0.03 0.02 -0.00 0.02 0.01 0.05 0.03 0.02 0.02 0.01 -0.01 0.02 -0.01 -0.02 0.04 0.03 -0.05 0.05 0.05 0.12 -0.05 -0.04 -0.01 0.01 -0.01 -0.06 0.02 0.01 -0.02 -0.01 0.04 -0.05 0.02 0.03 0.03 0.01 -0.04 0.04 -0.02 -0.02 -0.02 0.01 0.05 -0.02 -0.05 0.01 -0.01 -0.12 -0.04 0.04 -0.01 0.05 -0.00 0.01 0.04 -0.04 -0.00 0.01 -0.04 -0.00 -0.02 -0.08 -0.02 -0.04 -0.09 -0.03 -0.09 -0.02 0.00 -0.01 0.07 0.03 -0.04 0.07 0.07 -0.08 0.03 0.00 -0.04 0.08 -0.07 0.08 0.01 -0.01 0.09 -0.11 0.07 0.03 -0.06 -0.03 0.08 0.07 -0.03 -0.04 0.02 0.05 -0.09 0.08 -0.04 0.01 0.06 0.01 -0.03 -0.06 -0.08 -0.04 -0.07 -0.05 0.07 0.06 -0.20 -0.00 -0.01 -0.13 -0.05 -0.06 -0.12 -0.12 0.09 -0.07 0.11 0.09 0.08 0.06 -0.03 0.01 0.02 -0.10 -0.06 -0.13 -0.06 -0.28 -0.06 0.16 0.11 0.16 -0.20 0.18 -0.17 0.08 0.10 -0.07 -0.04 0.00 -0.05 0.14 0.01 0.37 -0.00 0.11 -0.05 0.13 -0.35 0.03 -0.01 0.02 0.01 0.02 -0.01 -0.00 0.02 0.03 -0.01 -0.02 0.01 0.02 -0.03 0.02 0.03 0.04 -0.05 -0.02 0.00 0.00 -0.00 -0.03 0.01 0.01 0.01 -0.05 -0.01 0.10 -0.06 -0.06 0.02 -0.04 0.03 -0.06 0.01 0.05 -0.02 -0.00 0.01 0.04 0.06 0.01 0.01 -0.00 0.02 -0.03 0.02 -0.04 -0.01 0.00 0.02 -0.03 -0.01 -0.01 -0.02 -0.00 0.00 -0.04 -0.01 -0.02 -0.04 -0.01 -0.02 0.01 -0.01 0.00 0.02 0.01 -0.02 0.02 0.05 -0.04 0.01 0.07 -0.01 0.02 -0.05 0.04 -0.04 -0.09 -0.04 0.17 -0.17 -0.10 0.14 0.05 -0.12 -0.02 -0.02 0.01 0.06 -0.04 0.10 -0.13 0.10 0.05 -0.13 -0.07 0.09 0.10 0.10 0.09 0.10 0.07 -0.08 -0.08 0.03 0.05 0.03 -0.06 -0.02 0.09 0.06 0.05 -0.10 0.08 -0.08 -0.07 -0.08 -0.05 -0.03 -0.01 -0.02 -0.04 -0.02 -0.03 0.03 0.39 0.10 -0.25 -0.18 -0.27 0.30 -0.28 0.20 0.01 0.01 -0.04 -0.01 0.13 -0.01 -0.04 -0.05 0.16 0.04 -0.04 -0.02 0.05 -0.17 0.02 -0.00 0.00 -0.02 -0.01 -0.01 0.01 -0.01 -0.03 0.01 0.02 -0.01 -0.02 0.01 -0.01 -0.02 -0.06 -0.01 -0.00 -0.00 -0.02 0.01 0.02 -0.01 -0.00 0.01 -0.00 -0.01 0.00 -0.00 0.00 0.00 0.00 0.00 -0.01 0.01 0.00 0.01 -0.01 -0.01 0.00 0.01 -0.00 0.00 0.01 0.01 -0.01 0.00 -0.01 -0.00 -0.01 -0.02 0.02 -0.00 0.01 0.01 -0.01 0.00 0.03 0.00 0.02 0.03 0.00 0.03 0.00 -0.00 0.00 -0.01 0.05 0.01 0.02 0.15 0.04 -0.03 -0.07 0.00 -0.04 -0.02 -0.03 0.01 0.00 -0.01 -0.00 -0.00 0.00 -0.00 -0.01 0.00 0.00 -0.00 0.00 0.01 0.00 0.00 -0.01 0.01 0.00 -0.01 -0.00 0.01 0.01 0.01 0.01 0.01 0.01 -0.01 -0.00 0.02 -0.00 -0.00 0.02 0.01 0.00 0.01 0.02 -0.02 0.01 -0.02 -0.02 -0.01 -0.01 0.02 0.00 0.02 0.03 0.01 0.04 0.01 0.03 0.01 -0.02 -0.01 -0.02 0.02 -0.02 0.02 0.06 0.33 0.06 -0.05 -0.26 -0.02 0.26 0.16 0.36 -0.18 0.37 -0.37 -0.17 -0.44 -0.09 0.00 0.02 -0.02 -0.01 0.01 0.01 0.01 -0.03 0.02 0.02 -0.01 -0.03 0.01 -0.01 -0.02 -0.10 -0.13 -0.02 0.00 -0.01 0.00 0.03 -0.00 -0.00 -0.00 0.01 0.00 -0.03 0.02 0.02 -0.00 0.00 -0.01 0.01 -0.01 -0.01 0.01 0.00 -0.00 -0.01 -0.03 -0.00 -0.01 -0.02 -0.01 0.02 -0.01 0.01 -0.00 -0.01 -0.03 0.03 0.01 0.03 0.01 -0.01 -0.01 0.04 0.01 0.03 0.03 0.00 0.02 0.00 0.00 -0.00 -0.02 0.02 0.01 0.01 0.11 0.04 0.05 0.26 0.05 -0.06 -0.13 -0.04 0.02 0.03 0.01 -0.06 0.05 0.03 -0.04 -0.02 0.04 0.01 -0.01 -0.01 -0.01 0.01 -0.04 0.03 -0.03 -0.01 0.03 0.00 -0.02 -0.02 -0.04 -0.03 -0.03 -0.03 0.03 0.03 -0.04 -0.02 -0.02 0.01 0.00 -0.05 -0.05 -0.03 0.03 -0.02 0.02 0.03 0.02 0.01 0.04 0.02 0.06 0.03 0.01 0.02 -0.00 -0.09 -0.02 0.06 0.04 0.06 -0.06 0.06 -0.05 -0.04 -0.11 0.01 0.12 0.52 0.09 -0.39 -0.23 0.01 0.21 -0.35 -0.17 -0.12 -0.23 -0.05 -0.03 -0.02 0.02 0.02 -0.08 0.01 0.00 -0.01 0.00 0.03 0.01 0.01 -0.03 0.02 0.02 0.02 -0.02 -0.01 0.01 -0.04 0.03 -0.01 -0.01 -0.00 0.04 -0.00 0.02 0.08 0.02 -0.03 0.02 0.07 0.03 0.12 0.07 -0.06 -0.01 -0.01 -0.00 -0.05 -0.03 -0.01 0.12 0.12 0.05 -0.09 -0.04 -0.07 -0.02 -0.02 0.03 -0.05 -0.06 -0.07 -0.00 -0.02 0.05 -0.04 -0.05 -0.03 -0.01 -0.03 0.04 -0.06 0.08 0.00 -0.01 0.00 -0.01 -0.02 0.03 -0.03 -0.03 0.03 -0.02 -0.02 -0.02 0.02 0.01 -0.03 0.02 0.13 -0.08 -0.09 0.11 0.11 -0.10 -0.03 0.19 0.10 -0.04 -0.05 0.10 0.23 -0.10 -0.08 0.21 0.20 -0.15 -0.15 -0.04 -0.12 -0.03 -0.12 0.10 0.12 0.21 -0.05 0.18 0.14 0.14 0.13 0.11 0.07 -0.10 0.01 -0.18 -0.13 -0.15 -0.09 -0.09 -0.08 -0.12 0.00 -0.01 0.08 -0.01 -0.05 -0.05 0.10 0.20 0.11 -0.25 0.20 0.02 -0.03 0.02 -0.03 -0.05 0.05 -0.02 -0.06 -0.02 0.07 -0.01 -0.03 0.03 0.02 -0.05 0.02 0.01 -0.03 0.01 0.02 0.05 -0.01 0.04 0.01 0.00 -0.07 -0.00 -0.01 -0.03 -0.01 -0.01 0.03 -0.00 0.02 -0.00 0.02 -0.03 -0.02 0.02 0.03 0.01 -0.02 0.01 -0.04 -0.10 0.07 -0.02 -0.15 -0.01 -0.02 -0.07 -0.13 0.00 0.00 0.02 -0.06 0.04 -0.08 0.12 0.08 0.01 -0.09 0.01 -0.05 -0.01 -0.01 -0.02 0.08 0.07 0.16 -0.04 -0.01 -0.06 0.02 0.05 0.09 -0.04 0.00 -0.05 -0.04 0.05 0.01 0.02 -0.01 0.02 0.04 -0.00 0.02 0.04 -0.01 0.01 0.04 -0.01 -0.01 0.02 -0.03 0.02 -0.05 -0.02 0.14 -0.05 -0.17 0.13 0.02 -0.13 0.04 -0.04 -0.14 -0.05 -0.02 -0.16 -0.20 -0.02 -0.01 -0.24 -0.07 0.09 -0.06 -0.04 0.06 -0.13 0.31 0.15 -0.21 0.18 0.25 0.24 -0.01 -0.06 -0.00 -0.10 0.05 -0.11 -0.14 -0.04 -0.05 0.15 0.12 0.26 -0.07 -0.03 -0.12 0.01 0.11 0.00 -0.04 0.06 0.00 -0.05 0.03 0.09 0.03 0.00 0.02 0.06 -0.03 0.01 0.05 -0.01 -0.00 0.04 -0.00 -0.02 0.03 -0.02 -0.01 0.00 0.03 0.01 -0.01 -0.01 0.01 -0.01 -0.04 0.01 0.03 -0.00 -0.02 -0.03 0.02 0.01 0.01 0.00 0.00 0.00 -0.02 0.01 -0.00 -0.01 0.00 -0.02 0.03 -0.02 0.03 0.03 -0.05 0.00 0.02 -0.03 -0.01 -0.00 0.02 -0.01 0.01 -0.00 0.00 -0.01 0.01 -0.01 0.03 -0.03 0.04 0.01 0.03 -0.00 0.01 0.01 -0.01 -0.02 0.02 0.01 -0.01 0.00 -0.00 -0.03 0.02 -0.00 -0.03 0.00 0.01 -0.02 -0.01 0.00 0.00 0.00 -0.01 -0.01 -0.01 -0.01 -0.00 -0.01 -0.00 0.01 0.01 -0.03 0.03 -0.03 0.07 -0.03 -0.08 0.07 0.10 -0.07 -0.02 0.01 -0.05 0.01 0.02 -0.01 -0.02 0.03 0.04 -0.03 -0.03 0.04 0.01 -0.03 0.01 -0.02 0.01 0.02 0.43 -0.00 -0.35 -0.07 0.45 0.31 -0.38 -0.35 -0.06 0.05 -0.02 0.07 0.06 0.05 0.03 -0.03 -0.02 0.04 -0.00 -0.04 -0.01 -0.02 0.06 0.03 -0.06 -0.06 -0.08 0.09 -0.07 -0.00 -0.01 -0.01 -0.01 -0.01 0.00 -0.01 0.00 0.01 0.00 -0.01 0.00 0.02 0.01 0.01 0.01 0.01 0.03 -0.00 -0.01 0.01 -0.00 -0.01 0.00 -0.00 0.02 -0.00 -0.00 0.02 -0.00 -0.00 -0.01 0.01 -0.01 -0.00 0.01 0.00 0.02 -0.01 -0.01 -0.00 0.01 0.02 -0.02 -0.00 0.04 0.00 -0.03 0.01 0.12 -0.04 -0.08 0.00 0.00 0.01 -0.02 -0.03 0.03 -0.03 -0.05 0.00 0.02 0.00 0.06 0.01 0.01 0.01 -0.01 -0.00 -0.02 0.01 0.01 0.01 0.00 -0.01 -0.02 0.01 0.00 -0.00 -0.08 0.07 -0.01 -0.00 0.01 -0.01 -0.01 -0.01 -0.01 -0.01 -0.00 -0.00 -0.01 0.01 0.00 0.01 0.02 0.03 -0.04 0.03 0.05 -0.02 -0.03 0.07 -0.01 0.05 0.07 -0.08 -0.10 0.00 0.22 -0.21 -0.11 0.21 0.10 -0.19 -0.11 -0.04 -0.06 -0.09 -0.03 0.09 -0.03 -0.09 0.05 -0.05 -0.06 -0.04 -0.04 -0.04 -0.02 0.05 -0.04 0.10 0.10 0.05 0.04 -0.02 -0.01 -0.03 0.01 0.00 -0.00 -0.20 0.47 0.16 -0.32 -0.05 -0.40 0.19 -0.17 0.14 -0.01 -0.01 -0.01 -0.01 0.00 -0.00 0.00 0.01 0.00 -0.02 0.01 0.00 -0.01 0.01 0.00 0.01 0.22 0.12 -0.03 -0.03 0.03 -0.07 -0.09 0.01 0.17 -0.03 -0.06 0.12 -0.03 -0.03 0.08 0.00 0.02 0.01 -0.04 0.03 0.12 -0.05 -0.06 0.01 0.00 0.02 -0.02 -0.04 0.04 -0.02 -0.10 -0.01 -0.08 -0.05 -0.04 0.01 0.06 0.06 -0.01 0.04 -0.05 0.05 -0.01 -0.01 -0.04 0.01 -0.04 0.02 0.09 0.13 0.04 0.04 0.05 0.05 -0.01 0.04 0.06 -0.04 -0.05 0.00 -0.07 -0.09 0.02 -0.01 0.01 -0.03 0.06 0.00 -0.15 0.00 -0.14 -0.19 0.04 -0.08 -0.14 0.04 0.08 0.01 -0.02 0.04 -0.02 0.01 0.10 -0.02 -0.09 0.09 0.01 -0.13 -0.02 0.00 -0.05 -0.05 -0.14 -0.02 -0.06 -0.13 -0.10 -0.04 0.04 0.08 0.02 0.02 0.07 -0.14 -0.04 -0.01 0.06 0.09 -0.13 -0.07 0.13 0.09 -0.04 -0.06 0.04 -0.07 -0.09 -0.02 -0.03 0.02 0.05 0.09 -0.07 -0.09 -0.20 0.08 -0.11 -0.05 0.08 0.02 0.13 -0.07 0.06 -0.01 -0.20 -0.02 -0.14 -0.28 0.11 -0.08 -0.18 0.03 0.11 -0.19 0.02 0.20 0.01 0.07 0.08 -0.00 -0.02 -0.01 -0.02 0.04 -0.01 -0.01 0.11 -0.02 0.01 0.00 0.01 0.08 -0.03 -0.01 -0.02 0.00 -0.01 -0.01 0.07 0.00 0.03 -0.00 -0.03 0.02 -0.04 0.03 0.04 -0.07 0.04 0.05 -0.05 0.05 0.03 0.00 0.01 0.03 -0.02 0.01 0.05 0.04 0.01 -0.11 -0.11 0.09 -0.08 -0.03 -0.05 0.01 -0.00 0.01 0.01 -0.01 -0.06 0.00 0.04 0.02 -0.00 0.01 -0.07 -0.00 0.03 -0.01 -0.03 0.04 0.02 -0.01 -0.00 -0.01 -0.00 0.01 0.00 -0.01 0.01 0.00 -0.01 -0.00 -0.00 0.01 -0.02 -0.02 0.05 -0.07 0.04 0.05 -0.06 0.05 0.06 -0.05 0.07 0.06 -0.05 0.06 0.01 -0.01 -0.02 0.01 0.01 -0.02 0.07 0.13 0.08 0.16 0.01 -0.08 0.17 -0.20 -0.04 -0.27 0.21 0.21 -0.37 -0.40 0.11 -0.15 0.06 -0.16 -0.13 -0.17 -0.08 -0.01 -0.02 -0.07 0.00 0.04 -0.00 0.03 -0.09 -0.04 0.12 0.14 0.14 -0.21 0.15 0.03 0.00 0.02 0.00 -0.01 -0.00 0.00 -0.02 -0.00 -0.00 -0.01 -0.00 -0.01 -0.02 -0.01 -0.00 0.11 0.27 -0.09 -0.05 0.05 -0.00 -0.04 -0.14 0.02 0.05 0.00 -0.03 -0.17 0.09 0.05 -0.16 0.06 -0.09 0.02 -0.03 -0.02 -0.06 -0.01 0.04 -0.03 -0.02 0.05 0.06 -0.06 0.02 0.05 -0.07 0.04 0.03 -0.01 0.01 -0.06 0.02 0.03 0.05 0.04 0.01 0.03 -0.08 -0.02 -0.08 -0.03 -0.05 0.05 0.05 -0.04 -0.09 -0.05 0.02 0.09 -0.00 -0.04 -0.03 -0.07 0.07 0.08 -0.04 0.04 -0.04 0.04 0.02 0.01 0.06 -0.06 0.07 -0.10 0.06 0.09 -0.06 0.05 0.07 0.01 -0.05 -0.06 -0.07 0.07 0.11 -0.12 -0.00 0.12 0.02 0.02 0.05 -0.05 0.05 0.06 -0.06 0.05 0.01 -0.03 -0.02 0.01 -0.01 -0.02 0.09 0.15 0.10 0.17 0.03 -0.10 -0.02 -0.14 0.07 0.06 -0.21 -0.10 0.06 0.01 -0.10 -0.15 0.06 -0.14 -0.12 -0.17 -0.08 -0.13 -0.07 -0.01 0.15 -0.08 0.07 0.01 -0.06 -0.03 0.10 0.14 0.12 -0.20 0.14 0.04 0.11 -0.15 0.05 0.16 -0.02 0.06 0.12 0.01 -0.17 0.08 0.00 -0.06 -0.02 0.10 -0.04 -0.00 0.00 0.10 0.00 0.15 -0.05 0.08 -0.16 0.01 -0.05 -0.00 -0.03 -0.05 -0.00 -0.04 0.19 -0.05 0.11 0.01 -0.03 -0.13 0.01 0.03 0.06 -0.04 -0.01 -0.07 -0.01 -0.03 -0.00 0.05 0.03 0.04 0.10 0.02 0.06 -0.07 -0.02 -0.12 0.12 0.02 0.07 -0.08 -0.02 -0.06 -0.03 -0.07 0.01 -0.06 -0.03 -0.11 -0.03 -0.00 -0.05 -0.06 -0.05 -0.18 0.08 0.07 0.16 0.08 0.05 0.11 -0.06 0.06 0.03 0.02 -0.01 0.09 -0.08 0.02 -0.06 -0.09 0.03 -0.06 -0.06 0.01 0.05 -0.04 -0.01 -0.09 -0.03 -0.01 0.00 -0.03 -0.05 -0.00 0.06 0.03 0.06 0.04 0.02 0.05 0.11 -0.01 0.05 0.14 0.06 0.06 0.15 0.16 0.17 0.26 -0.01 -0.05 -0.09 -0.05 -0.02 -0.12 -0.02 -0.11 -0.08 -0.02 -0.05 -0.10 0.02 -0.07 -0.03 -0.20 -0.04 -0.07 -0.02 -0.10 0.14 0.10 0.23 -0.09 0.05 0.04 0.05 0.17 -0.01 -0.19 0.13 0.08 -0.15 0.03 -0.05 -0.14 0.04 -0.06 -0.09 0.01 0.10 -0.09 0.00 0.11 0.04 -0.01 0.04 -0.04 -0.11 0.01 -0.14 0.35 -0.06 -0.04 0.24 -0.07 0.32 -0.14 -0.12 -0.13 0.00 0.06 0.05 -0.02 0.03 -0.04 0.24 -0.08 0.06 -0.17 0.04 -0.02 -0.03 0.03 0.01 -0.01 -0.02 -0.00 0.03 -0.01 -0.02 0.03 -0.01 -0.02 -0.02 0.02 -0.06 -0.02 -0.02 0.08 0.02 0.01 0.02 0.03 -0.01 -0.01 -0.00 -0.03 -0.04 -0.17 0.08 -0.02 0.06 -0.04 -0.01 -0.21 0.10 -0.01 -0.14 0.10 0.04 -0.03 -0.02 0.00 -0.03 0.02 -0.01 0.02 0.00 -0.01 0.01 -0.00 -0.01 -0.00 0.01 -0.02 -0.07 0.07 0.02 -0.05 -0.06 0.02 0.04 -0.04 -0.00 0.03 -0.00 0.01 0.02 0.01 -0.01 0.04 0.01 -0.03 0.02 -0.00 -0.10 -0.12 -0.11 -0.15 -0.03 0.10 -0.02 0.08 0.04 0.17 -0.11 -0.01 0.18 0.13 0.00 0.06 -0.01 0.03 0.02 0.09 0.01 -0.10 -0.20 0.09 0.08 -0.22 0.10 0.05 -0.04 -0.03 -0.02 -0.09 0.00 0.10 -0.07 -0.05 -0.02 0.04 0.00 -0.02 -0.01 -0.01 -0.02 -0.00 0.03 -0.01 -0.00 -0.00 -0.00 -0.03 0.00 -0.03 -0.07 -0.01 0.00 -0.06 0.02 -0.02 0.06 0.00 0.05 -0.02 -0.01 -0.01 -0.00 0.02 -0.01 0.00 -0.00 -0.00 0.01 0.05 0.01 -0.03 -0.01 -0.04 0.08 -0.06 -0.02 0.07 -0.03 -0.02 -0.02 -0.04 0.03 -0.08 0.02 -0.00 0.03 -0.02 0.16 0.03 0.03 -0.01 0.06 -0.13 -0.01 -0.09 0.05 -0.01 0.01 0.01 0.02 0.01 0.06 0.01 0.02 0.06 -0.01 -0.04 -0.01 -0.05 -0.05 -0.04 -0.09 0.07 0.06 -0.01 -0.02 -0.00 0.02 0.01 0.01 0.02 -0.00 0.01 0.02 -0.01 -0.01 -0.03 0.08 -0.05 -0.01 0.08 -0.01 -0.01 0.06 -0.01 -0.04 -0.04 -0.08 -0.04 -0.00 -0.09 -0.02 -0.03 0.00 0.04 -0.10 0.06 0.27 0.29 0.26 0.36 0.08 -0.28 -0.06 0.05 -0.08 0.04 -0.04 -0.17 0.03 0.14 -0.19 -0.09 -0.02 -0.00 -0.00 -0.17 0.01 0.04 0.03 0.12 -0.08 -0.08 -0.10 -0.16 0.10 0.10 0.04 0.21 -0.06 -0.22 0.14 0.13 0.02 0.02 0.02 0.03 -0.02 0.01 0.02 -0.01 -0.00 0.03 -0.01 -0.02 0.01 -0.02 -0.01 0.02 0.16 0.03 0.02 -0.06 0.06 -0.04 0.13 0.00 0.04 -0.02 -0.04 0.07 -0.04 -0.04 -0.09 0.02 0.00 -0.07 0.01 0.06 0.07 0.00 0.01 -0.05 -0.14 -0.11 -0.07 -0.14 -0.03 0.03 0.10 0.07 0.08 0.13 0.06 -0.10 -0.09 -0.12 0.01 -0.03 0.06 -0.02 0.03 -0.04 0.02 -0.02 0.00 -0.08 -0.05 -0.04 0.04 0.03 0.09 -0.08 -0.04 0.01 0.04 0.03 0.08 -0.09 -0.03 -0.05 0.01 -0.01 -0.01 -0.02 0.04 0.02 0.00 -0.04 -0.01 0.06 -0.02 -0.08 0.13 -0.02 0.00 -0.09 -0.14 -0.15 -0.16 -0.08 -0.04 -0.16 -0.21 -0.07 0.09 0.11 0.14 0.07 0.08 0.14 0.15 0.08 0.08 0.15 0.18 0.08 -0.06 -0.11 -0.05 -0.01 -0.11 0.21 -0.07 0.16 -0.14 0.02 0.07 0.04 0.03 0.03 0.05 0.02 -0.01 -0.01 0.03 -0.04 -0.01 0.12 0.09 0.23 -0.15 -0.04 -0.13 -0.00 -0.02 -0.01 0.01 -0.01 -0.02 0.01 -0.00 -0.02 -0.06 -0.05 -0.02 0.08 0.01 -0.07 0.11 -0.02 0.05 0.07 -0.02 0.09 0.25 -0.02 0.00 -0.08 -0.02 0.05 0.02 0.02 -0.01 0.04 -0.04 0.01 0.04 -0.00 -0.02 0.07 -0.03 -0.03 -0.17 0.03 0.06 -0.01 -0.02 -0.04 0.05 -0.00 -0.02 -0.00 0.07 0.08 0.04 0.08 0.01 -0.01 -0.04 -0.04 -0.04 -0.06 -0.03 -0.02 0.06 0.07 -0.01 0.01 -0.03 0.02 -0.02 0.03 -0.01 0.01 0.00 -0.07 0.02 0.03 -0.06 0.01 -0.06 -0.08 -0.03 -0.05 0.01 0.01 0.00 -0.00 0.03 0.08 -0.00 0.00 0.01 -0.06 -0.01 0.08 -0.03 0.01 -0.03 0.09 0.00 -0.20 0.24 -0.06 0.02 0.00 0.04 0.12 0.09 0.00 -0.02 0.11 0.16 0.02 -0.04 -0.05 -0.07 -0.03 -0.03 -0.07 -0.07 -0.03 -0.03 -0.07 -0.08 -0.03 0.03 0.05 0.02 0.00 0.05 -0.10 0.05 -0.08 0.06 0.02 -0.05 0.01 -0.01 -0.01 -0.05 -0.00 -0.00 0.01 -0.01 0.02 0.01 -0.13 -0.03 -0.14 0.03 0.09 0.18 -0.00 0.01 0.01 -0.01 0.00 0.00 -0.00 0.00 0.01 -0.21 0.06 -0.02 0.11 -0.01 -0.20 0.15 -0.06 0.19 0.14 -0.06 0.19 0.54 -0.13 0.00 -0.06 0.09 -0.01 0.04 -0.03 0.04 0.02 0.05 0.02 0.07 -0.00 -0.06 0.15 -0.07 -0.07 0.14 -0.02 -0.09 -0.10 -0.03 -0.01 0.10 0.01 -0.02 -0.06 0.02 0.12 0.02 0.06 -0.01 -0.01 0.00 -0.04 -0.03 -0.03 -0.02 -0.10 0.02 0.06 0.01 -0.00 -0.03 0.04 -0.01 0.04 0.01 -0.02 0.01 -0.14 -0.03 -0.02 -0.10 0.03 -0.04 -0.19 -0.08 -0.10 0.01 0.04 0.05 -0.07 0.03 0.09 -0.01 0.01 0.01 0.02 0.03 -0.10 0.10 -0.05 0.07 0.05 -0.04 0.20 -0.04 0.02 -0.04 -0.07 -0.01 0.16 0.09 -0.09 -0.12 0.13 0.21 -0.04 -0.04 -0.01 -0.08 -0.03 0.01 -0.07 -0.06 0.02 -0.02 -0.05 -0.07 0.01 0.03 0.05 0.02 0.03 0.03 -0.10 0.08 -0.03 0.02 0.12 -0.07 0.08 0.03 0.03 -0.06 0.02 -0.03 0.03 0.01 0.02 0.03 -0.15 -0.00 -0.09 -0.04 0.12 0.22 -0.03 0.02 0.03 0.00 0.03 -0.02 -0.03 0.01 0.03 0.30 -0.12 0.06 0.10 -0.03 0.20 0.05 0.02 -0.21 0.04 0.03 -0.19 -0.32 0.09 -0.02 0.06 0.06 0.01 -0.01 0.04 0.00 -0.00 0.02 -0.01 -0.05 0.01 0.02 -0.01 0.01 -0.00 -0.04 0.01 -0.01 -0.01 0.01 -0.01 -0.02 0.02 0.00 0.07 -0.11 0.03 -0.06 0.02 -0.08 -0.07 0.09 -0.08 -0.06 0.00 -0.04 0.04 -0.07 0.03 0.07 -0.04 -0.11 0.08 -0.02 0.15 0.05 -0.12 0.08 0.04 -0.05 0.01 0.03 -0.05 -0.02 -0.00 -0.02 -0.02 0.01 0.00 0.00 0.01 0.00 0.01 -0.06 0.03 0.06 0.01 0.02 0.00 -0.02 -0.00 -0.03 -0.02 0.01 -0.03 -0.02 0.00 0.01 0.09 -0.09 0.04 -0.12 0.03 -0.12 -0.14 -0.01 -0.14 -0.08 0.07 -0.11 -0.07 0.09 -0.08 -0.16 0.15 -0.03 -0.05 -0.09 0.14 0.11 0.14 0.02 0.17 -0.01 -0.28 0.03 0.12 0.05 0.08 0.07 0.24 0.12 -0.06 0.29 0.12 -0.21 0.17 0.09 0.07 0.13 0.05 -0.05 -0.05 0.03 0.00 0.03 -0.19 0.13 0.15 0.03 0.15 -0.14 -0.14 0.06 0.13 -0.05 -0.01 -0.03 -0.04 0.03 -0.03 -0.02 0.01 0.02 -0.03 0.00 0.03 0.02 0.00 0.01 -0.13 -0.11 0.01 -0.02 0.12 -0.09 0.06 -0.17 -0.02 0.02 0.03 -0.01 0.09 -0.01 -0.03 -0.03 0.01 -0.06 0.10 0.00 -0.09 0.03 0.02 -0.04 -0.12 -0.14 -0.04 -0.09 -0.15 -0.04 0.01 0.06 0.03 0.02 0.10 0.02 -0.07 0.07 0.13 0.03 -0.03 -0.02 0.00 0.03 -0.02 0.03 -0.06 0.03 0.03 0.13 0.25 -0.10 0.08 0.01 0.07 0.06 0.11 -0.01 0.03 0.00 -0.01 0.00 -0.03 -0.02 0.01 0.02 -0.03 -0.02 -0.06 0.05 0.00 0.03 0.05 -0.01 0.06 0.03 -0.01 -0.02 -0.20 -0.23 -0.04 -0.17 -0.11 -0.07 -0.15 -0.20 -0.07 0.09 0.06 0.10 0.06 0.06 0.08 -0.01 0.15 0.03 0.03 0.06 0.11 -0.00 -0.01 -0.04 0.06 -0.08 0.02 0.02 0.18 -0.19 0.14 0.06 0.15 0.03 0.05 -0.01 0.06 -0.10 0.06 0.05 0.01 0.04 -0.20 0.01 -0.16 -0.11 -0.05 -0.20 -0.08 0.04 0.06 0.03 0.06 -0.06 -0.06 0.03 0.04 0.13 0.01 0.03 0.07 -0.05 0.06 0.04 -0.01 -0.05 0.07 -0.01 -0.08 -0.06 -0.01 -0.02 0.05 0.02 0.04 0.00 0.07 0.01 0.02 0.03 -0.01 -0.10 0.04 0.01 0.05 -0.00 -0.05 -0.08 0.03 -0.07 -0.06 -0.00 -0.04 0.03 0.08 0.04 0.03 0.02 -0.06 -0.02 0.06 -0.03 -0.02 -0.02 -0.04 0.04 -0.09 0.04 0.12 -0.06 0.05 0.00 0.03 0.13 -0.00 0.04 -0.05 -0.03 0.08 -0.03 0.10 -0.01 0.20 0.03 -0.19 -0.08 -0.08 -0.06 -0.01 0.08 -0.00 0.17 -0.10 -0.11 0.01 0.03 -0.00 -0.03 0.01 0.01 -0.05 0.02 0.00 -0.03 -0.02 0.00 0.01 -0.03 0.01 0.00 0.06 0.07 -0.08 -0.05 0.11 0.01 -0.07 -0.02 -0.02 -0.06 -0.03 -0.09 -0.07 -0.02 -0.10 0.15 -0.22 0.04 0.08 0.03 -0.11 0.06 -0.00 0.16 -0.02 0.08 0.08 -0.02 0.08 -0.07 0.01 0.04 -0.03 0.02 0.06 -0.03 -0.13 0.19 -0.14 -0.04 -0.13 -0.10 -0.12 -0.30 -0.37 -0.17 -0.18 -0.15 0.10 -0.07 -0.09 -0.03 -0.08 0.09 0.09 -0.02 -0.09 0.05 -0.00 -0.03 -0.05 0.01 0.01 -0.02 0.01 -0.02 -0.02 0.01 -0.02 -0.06 0.01 0.00 0.04 0.01 -0.03 -0.04 0.06 -0.03 -0.01 -0.01 -0.03 -0.09 0.11 0.04 0.16 0.01 -0.05 0.02 -0.01 0.04 0.06 0.03 -0.00 -0.01 0.08 -0.11 -0.16 -0.04 0.10 -0.04 0.02 -0.05 -0.02 0.01 -0.06 0.04 -0.07 0.03 -0.08 -0.08 0.04 0.01 0.02 0.11 0.04 0.01 0.01 -0.02 0.06 -0.01 -0.01 -0.07 -0.11 -0.00 -0.06 0.14 0.08 0.00 0.05 -0.09 -0.11 -0.10 0.06 -0.05 0.08 0.02 -0.00 -0.02 0.01 0.00 0.04 -0.02 0.00 -0.00 -0.01 0.00 -0.03 -0.01 0.00 0.01 -0.15 -0.06 0.13 -0.00 -0.16 -0.22 0.07 0.21 -0.10 -0.03 -0.03 -0.11 -0.05 0.03 -0.13 0.13 -0.16 0.06 0.07 0.02 -0.07 0.06 0.00 0.14 0.00 0.07 0.06 0.06 0.08 -0.09 0.24 -0.10 0.13 0.07 0.11 -0.11 -0.10 0.15 -0.11 -0.03 -0.12 -0.08 0.11 0.02 0.34 0.18 -0.07 0.18 0.06 -0.05 -0.06 -0.03 -0.06 0.06 0.06 -0.01 -0.07 -0.07 0.00 -0.00 -0.01 0.01 -0.03 -0.01 0.00 0.03 -0.03 0.00 0.04 0.04 -0.00 0.00 -0.04 0.01 0.01 0.01 -0.01 -0.01 0.01 -0.02 0.01 0.08 -0.06 -0.01 -0.08 -0.00 0.05 0.01 -0.00 -0.01 0.00 -0.01 -0.01 -0.02 -0.07 0.01 0.07 -0.10 -0.04 -0.08 0.03 -0.09 -0.07 0.03 -0.09 0.04 -0.11 0.04 -0.01 0.03 0.01 0.02 0.03 0.16 0.04 -0.03 0.10 -0.02 0.08 -0.02 -0.04 0.02 0.01 0.00 0.12 -0.02 -0.01 0.01 -0.00 -0.01 0.05 -0.06 0.02 0.09 -0.01 0.03 0.00 -0.03 -0.01 0.01 -0.01 0.01 -0.00 0.01 0.01 -0.01 0.01 0.02 -0.00 -0.00 0.07 -0.12 -0.01 -0.18 0.12 -0.08 -0.21 -0.10 -0.12 -0.11 -0.02 -0.17 -0.12 0.03 -0.16 0.19 -0.28 0.06 0.13 0.05 -0.12 0.10 0.02 0.24 0.01 0.11 0.05 -0.03 0.09 0.02 -0.02 0.09 0.16 0.09 -0.09 0.28 -0.14 0.21 -0.15 -0.03 -0.17 -0.11 0.03 0.13 0.01 0.00 0.15 0.04 0.09 -0.07 -0.08 -0.04 -0.08 0.08 0.09 -0.02 -0.10 0.03 -0.01 0.01 0.03 -0.01 0.02 0.02 -0.00 -0.02 0.02 -0.00 -0.01 -0.00 0.00 -0.00 -0.04 0.08 0.05 0.01 0.05 -0.02 0.03 -0.04 -0.00 -0.01 0.02 0.05 0.03 0.01 0.03 0.00 -0.00 -0.04 -0.03 -0.01 -0.06 -0.05 -0.03 -0.10 0.13 0.02 -0.14 0.01 -0.04 0.00 0.01 -0.01 0.04 -0.00 0.03 -0.00 0.13 0.05 0.05 -0.00 -0.00 -0.02 -0.03 0.04 -0.08 0.00 -0.02 0.00 -0.06 0.00 0.05 0.12 -0.03 0.10 -0.12 -0.04 -0.01 -0.09 -0.12 -0.18 -0.03 -0.01 0.23 -0.00 -0.00 0.00 -0.02 0.04 -0.03 0.02 -0.02 0.01 0.02 -0.02 0.03 0.02 -0.00 -0.01 0.10 0.02 -0.18 -0.08 0.20 0.19 -0.15 -0.28 0.06 -0.00 0.03 0.07 0.02 -0.04 0.10 -0.02 0.03 -0.02 -0.00 0.02 0.02 -0.02 -0.01 -0.04 0.00 -0.03 0.00 -0.08 0.04 -0.04 -0.15 0.12 -0.14 -0.02 -0.03 0.06 0.03 -0.04 0.02 0.01 0.03 0.02 0.14 0.01 0.24 0.10 0.13 0.53 -0.01 0.01 0.01 0.01 0.01 -0.02 -0.02 0.00 0.02 0.06 -0.05 -0.00 0.03 0.01 0.03 0.05 0.00 -0.04 0.02 0.01 -0.02 -0.02 0.02 -0.00 0.13 -0.04 -0.03 0.04 -0.03 0.05 0.02 0.08 0.02 0.07 -0.04 -0.00 -0.04 -0.01 0.04 -0.05 0.02 0.01 -0.13 -0.04 -0.01 -0.03 -0.06 -0.02 -0.19 -0.03 0.04 -0.05 -0.08 -0.02 0.01 -0.01 0.02 0.02 0.04 0.01 0.08 -0.02 0.24 0.01 -0.00 0.02 -0.04 0.07 -0.10 0.01 -0.01 0.00 0.14 -0.07 0.06 0.03 0.05 -0.01 -0.06 -0.07 -0.17 -0.04 0.06 -0.09 0.09 0.16 -0.01 0.00 -0.00 -0.00 0.06 -0.04 0.02 -0.01 0.01 -0.04 -0.04 0.02 -0.04 -0.06 0.01 0.01 -0.24 -0.04 -0.02 -0.03 -0.16 -0.08 0.03 0.01 -0.01 0.07 -0.01 0.06 0.03 0.00 0.03 0.02 0.05 0.02 0.01 0.02 0.02 -0.01 -0.02 -0.01 0.01 -0.03 0.06 0.07 0.13 -0.25 0.23 -0.04 0.09 -0.05 0.19 -0.32 -0.00 0.00 -0.01 0.00 -0.03 -0.00 0.07 0.02 -0.27 0.18 0.27 0.22 -0.01 -0.00 0.00 0.01 0.01 -0.01 -0.01 0.00 -0.00 -0.06 0.05 -0.04 -0.09 0.01 -0.04 -0.08 0.01 0.05 -0.06 0.00 0.03 -0.02 -0.01 0.01 -0.01 -0.03 -0.11 0.00 -0.10 0.04 -0.05 0.06 0.04 -0.04 0.05 -0.00 0.05 0.02 -0.04 0.06 -0.01 0.06 -0.02 0.01 0.07 0.02 0.05 -0.01 0.08 -0.04 -0.09 -0.02 -0.06 -0.05 -0.01 0.01 -0.00 -0.00 0.01 0.01 0.03 0.20 0.15 0.00 -0.00 0.02 0.02 -0.01 0.01 0.00 -0.01 0.00 0.03 0.14 -0.10 -0.13 -0.03 0.04 0.01 0.02 -0.18 -0.01 -0.09 0.07 0.07 -0.11 -0.03 0.00 0.00 -0.00 -0.02 -0.04 0.04 -0.04 0.01 0.04 0.00 0.01 -0.02 0.01 -0.00 -0.00 -0.01 -0.18 -0.06 -0.17 0.20 0.11 -0.21 -0.35 -0.00 -0.05 0.06 0.02 -0.00 -0.04 0.07 0.02 -0.02 0.01 0.02 0.04 -0.01 0.01 0.00 0.03 0.01 -0.00 0.01 -0.05 0.04 0.01 -0.08 0.08 -0.01 0.05 -0.09 0.18 -0.00 0.00 -0.01 0.01 -0.02 -0.01 -0.43 -0.16 -0.11 0.28 -0.18 0.10 0.00 -0.00 -0.00 0.01 0.00 -0.01 0.00 0.00 -0.00 -0.07 0.08 0.05 0.03 -0.05 -0.02 -0.03 -0.01 0.05 0.02 -0.02 0.01 0.06 -0.04 -0.01 -0.04 -0.06 -0.03 -0.01 0.00 0.01 -0.01 0.01 -0.01 -0.01 -0.01 0.01 -0.01 0.01 0.00 -0.01 -0.11 -0.00 0.02 0.00 0.01 0.00 -0.00 -0.00 -0.01 -0.00 -0.00 -0.00 -0.01 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.03 0.01 0.05 -0.00 -0.00 0.00 -0.01 0.01 -0.01 0.00 -0.00 -0.00 -0.02 -0.02 -0.02 0.00 0.00 -0.02 0.01 -0.02 0.01 0.03 0.01 0.01 0.01 -0.01 -0.02 -0.00 -0.00 -0.00 0.06 0.33 0.05 -0.01 0.01 0.02 -0.02 -0.10 -0.02 0.00 -0.02 -0.00 -0.02 -0.01 -0.01 -0.01 0.00 0.01 -0.01 -0.02 0.00 0.00 0.00 0.01 0.01 0.01 0.00 -0.00 -0.01 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.02 -0.03 0.02 0.00 0.01 -0.01 0.02 -0.03 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.04 -0.03 -0.11 -0.01 -0.00 -0.03 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.16 -0.58 -0.06 0.11 0.42 0.06 0.29 0.05 -0.15 -0.24 0.13 0.18 0.07 0.21 0.03 0.22 -0.10 -0.07 0.13 -0.09 -0.10 0.02 -0.13 0.16 0.15 0.07 -0.09 0.10 -0.17 0.02 -0.09 -0.02 0.02 -0.13 0.05 -0.10 -0.09 0.01 -0.01 0.06 0.01 -0.04 0.02 0.01 -0.00 -0.00 0.01 -0.00 -0.00 -0.01 0.00 -0.07 0.01 -0.11 -0.00 -0.00 -0.00 0.04 -0.03 0.04 -0.00 0.00 -0.00 0.15 0.10 -0.04 -0.10 -0.07 0.11 -0.11 0.29 0.06 -0.26 0.05 0.10 -0.22 0.09 0.11 -0.00 0.00 -0.00 0.19 0.05 0.08 0.06 0.01 -0.09 -0.04 -0.02 -0.04 -0.10 0.01 0.02 0.05 -0.04 0.02 -0.01 0.07 0.04 -0.03 -0.06 0.00 -0.03 0.02 -0.01 -0.00 -0.00 0.01 0.00 -0.02 0.00 0.00 0.00 -0.01 0.01 0.01 0.01 0.01 0.00 -0.02 -0.03 -0.05 0.11 -0.10 0.04 -0.05 0.04 -0.11 0.17 0.00 -0.01 0.01 0.00 0.01 0.00 -0.04 -0.03 0.20 -0.17 -0.09 -0.05 0.01 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.08 -0.17 -0.11 -0.10 0.18 -0.02 -0.01 0.04 -0.01 -0.18 0.06 0.09 -0.07 0.09 0.03 0.02 -0.11 0.20 -0.03 -0.04 0.00 -0.05 0.03 -0.00 -0.05 -0.01 -0.05 -0.02 -0.00 -0.07 -0.11 0.02 -0.07 0.08 0.03 0.07 0.11 0.08 0.19 0.00 0.00 0.00 -0.00 0.00 0.01 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.09 0.02 -0.12 -0.00 -0.00 -0.00 0.02 -0.02 0.02 -0.00 -0.00 -0.00 0.06 0.09 0.11 -0.04 0.04 0.04 -0.02 -0.03 -0.18 -0.05 -0.08 -0.11 0.08 -0.03 -0.03 -0.00 0.00 -0.00 0.09 0.03 -0.03 0.09 -0.00 -0.11 -0.01 -0.02 0.02 -0.04 0.00 0.01 0.01 -0.03 0.05 0.03 -0.05 -0.02 0.02 0.06 -0.02 0.03 -0.04 -0.01 0.01 0.04 -0.03 0.01 -0.02 -0.01 0.01 0.02 -0.00 0.00 0.00 0.01 0.00 0.00 -0.01 -0.01 -0.03 0.06 -0.04 0.01 -0.02 0.02 -0.05 0.08 0.00 -0.00 0.00 0.00 0.01 0.00 0.07 0.15 0.40 0.39 0.10 0.46 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.12 -0.11 -0.13 -0.11 0.10 0.03 0.03 0.01 -0.09 -0.04 0.04 -0.03 -0.15 0.07 0.02 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.01 -0.00 -0.00 -0.00 -0.00 -0.01 0.00 -0.00 -0.00 0.01 -0.01 0.01 -0.00 0.02 0.02 -0.04 0.00 0.04 -0.00 0.00 -0.00 -0.06 -0.02 -0.00 -0.00 0.00 -0.01 -0.04 -0.02 -0.04 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.01 0.01 -0.03 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.01 -0.00 0.06 -0.06 0.01 0.01 0.05 -0.05 0.11 -0.20 -0.09 0.15 0.24 -0.05 0.18 -0.32 -0.01 0.17 0.28 -0.14 0.10 0.15 0.24 0.16 -0.01 -0.26 -0.01 0.00 -0.00 -0.01 0.01 -0.01 -0.00 0.00 -0.00 0.13 -0.25 0.24 0.16 0.33 -0.01 -0.01 -0.00 -0.01 0.00 -0.01 -0.01 0.22 0.10 -0.10 0.04 0.01 0.07 -0.01 -0.05 0.17 -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 0.09 -0.13 -0.02 -0.01 -0.09 -0.04 -0.09 0.01 -0.00 -0.03 -0.14 -0.05 -0.11 -0.08 0.07 -0.01 0.04 0.19 0.10 0.06 0.16 0.13 0.40 -0.02 -0.01 0.01 -0.00 -0.03 -0.03 0.01 -0.00 -0.00 -0.01 0.01 0.01 0.15 -0.02 0.19 -0.01 -0.00 0.01 -0.03 0.03 -0.04 -0.01 -0.01 -0.01 -0.05 -0.09 -0.08 0.06 -0.08 -0.09 -0.06 0.07 0.09 -0.13 0.02 -0.14 -0.20 0.04 -0.03 0.00 0.00 -0.01 -0.06 -0.02 0.01 -0.07 -0.00 0.08 0.00 0.01 -0.01 0.03 -0.00 -0.01 -0.06 0.01 -0.06 -0.08 0.07 0.01 -0.04 -0.12 0.04 -0.03 0.04 0.01 0.02 -0.04 0.07 0.04 -0.04 0.02 0.01 0.04 -0.03 0.02 0.03 0.06 0.04 -0.00 -0.05 0.02 0.06 -0.11 0.09 -0.02 0.05 -0.03 0.09 -0.14 0.03 -0.06 0.05 0.04 0.07 -0.01 0.25 -0.02 -0.09 -0.05 0.24 0.35 0.06 0.02 -0.03 0.01 0.00 0.02 -0.00 -0.01 0.04 -0.08 0.08 0.10 0.08 -0.08 -0.02 -0.03 -0.01 0.07 0.03 -0.03 0.03 0.11 -0.05 -0.02 0.05 -0.01 0.15 -0.09 -0.05 -0.08 -0.10 -0.05 -0.03 0.07 0.04 0.03 0.04 -0.03 0.07 -0.08 0.03 -0.03 0.38 0.15 0.18 -0.14 -0.07 -0.19 -0.00 -0.01 0.00 0.03 0.01 -0.02 0.02 0.00 -0.01 0.01 -0.01 0.01 0.04 0.00 0.11 -0.01 -0.01 -0.00 -0.02 0.02 -0.02 -0.02 0.01 -0.01 -0.09 -0.11 -0.12 0.00 0.01 -0.01 -0.10 -0.03 -0.10 0.03 0.11 0.16 -0.10 0.02 -0.01 -0.00 0.00 -0.01 0.07 -0.04 -0.01 0.08 -0.02 -0.11 0.00 0.01 0.02 -0.03 0.01 0.02 -0.04 -0.03 -0.03 -0.13 0.19 0.04 -0.04 -0.18 0.11 -0.12 0.17 0.02 -0.04 -0.16 0.13 0.02 0.03 0.05 -0.04 -0.05 0.00 0.02 0.03 0.05 0.03 -0.00 -0.06 0.01 0.03 -0.06 0.03 0.00 0.02 -0.02 0.04 -0.06 0.02 -0.06 0.07 0.05 0.10 -0.01 -0.10 -0.09 -0.36 -0.07 0.09 0.10 0.08 0.03 -0.04 0.00 -0.01 0.05 -0.01 -0.02 0.06 0.13 0.05 -0.10 -0.13 -0.02 0.01 -0.04 -0.00 -0.04 0.03 -0.00 -0.08 -0.15 0.01 0.02 0.02 -0.01 0.00 -0.02 0.04 0.04 0.03 0.02 -0.05 0.01 0.02 -0.02 0.01 -0.02 -0.01 -0.01 0.00 0.00 -0.03 -0.06 -0.02 0.00 0.02 0.03 0.02 -0.00 -0.01 0.06 0.04 -0.02 0.05 0.01 -0.02 0.02 -0.04 0.02 -0.05 -0.02 0.03 -0.02 -0.02 -0.01 -0.00 0.01 -0.02 -0.04 0.03 -0.03 -0.01 -0.05 -0.00 -0.06 0.04 0.01 0.04 -0.05 0.06 -0.03 0.00 -0.01 0.03 0.01 -0.01 -0.01 0.00 -0.01 0.02 -0.01 0.01 0.02 0.00 -0.02 -0.00 -0.00 -0.00 -0.01 0.00 0.00 -0.03 -0.04 -0.03 -0.22 0.34 0.06 -0.03 -0.28 0.22 -0.24 0.36 0.05 -0.09 -0.33 0.23 0.02 0.10 0.13 -0.09 -0.15 0.04 0.05 0.05 0.08 0.06 -0.01 -0.12 -0.01 0.01 -0.02 -0.02 0.03 -0.02 -0.01 -0.01 0.00 0.04 -0.11 0.16 0.09 0.23 -0.03 -0.03 0.06 0.06 -0.01 0.00 -0.07 0.18 0.05 -0.09 -0.01 -0.03 0.12 -0.01 -0.05 0.13 0.01 -0.01 -0.02 -0.02 0.01 -0.00 -0.00 0.00 -0.01 -0.01 0.01 0.00 -0.02 0.01 0.00 -0.06 0.01 -0.01 0.05 -0.06 -0.06 -0.04 -0.02 0.09 -0.02 -0.03 0.03 -0.02 0.04 0.01 0.04 -0.01 -0.01 -0.02 0.08 -0.00 0.01 -0.02 -0.04 -0.08 -0.01 0.05 -0.02 -0.01 -0.01 0.04 0.01 -0.03 0.06 -0.04 0.02 0.02 -0.03 -0.09 0.01 -0.03 -0.01 0.00 -0.02 0.04 -0.06 0.05 -0.04 0.05 0.09 0.06 0.09 -0.07 0.00 -0.04 0.07 -0.09 0.04 -0.01 -0.00 0.01 0.01 0.00 -0.04 0.01 0.00 -0.06 0.02 -0.02 -0.04 0.01 0.06 0.00 -0.00 0.00 0.03 -0.01 -0.01 -0.07 0.04 0.01 -0.14 -0.01 -0.13 0.04 -0.02 0.09 -0.13 0.30 0.10 -0.13 -0.28 0.11 0.01 0.20 0.17 -0.09 -0.24 0.12 0.05 -0.00 0.04 0.06 -0.03 -0.06 0.07 -0.02 -0.01 0.14 -0.11 0.11 -0.00 0.05 -0.09 0.02 -0.10 0.20 0.13 0.29 -0.05 0.14 -0.06 0.02 0.08 -0.00 0.06 0.24 0.06 -0.12 -0.05 -0.05 0.21 -0.02 -0.07 0.18 -0.03 -0.02 0.05 0.07 -0.00 0.01 0.03 -0.00 0.01 0.01 -0.00 0.02 0.07 -0.01 -0.01 0.02 -0.01 0.05 0.05 -0.01 -0.04 -0.00 -0.02 0.07 -0.07 -0.11 0.07 -0.03 0.13 -0.04 -0.05 0.01 0.01 -0.08 0.03 -0.05 0.12 -0.03 -0.01 -0.06 0.03 0.05 0.01 -0.06 -0.05 0.01 -0.01 -0.05 -0.07 0.07 -0.03 0.03 0.08 0.03 -0.07 0.04 0.10 0.00 -0.01 0.04 0.04 -0.11 0.03 -0.06 -0.00 -0.12 0.02 0.03 -0.05 -0.00 0.07 0.08 0.11 -0.04 -0.05 -0.05 -0.06 0.05 0.08 -0.01 -0.06 0.08 -0.02 0.03 0.07 -0.01 -0.09 0.00 -0.00 0.01 -0.03 0.01 0.02 -0.13 -0.01 -0.01 -0.20 0.11 -0.04 0.01 -0.23 0.15 -0.16 0.21 0.01 0.00 -0.20 0.19 0.06 -0.03 0.01 -0.11 0.15 -0.23 -0.02 0.16 0.21 0.04 0.05 -0.03 0.12 -0.08 0.03 0.13 -0.12 0.08 -0.04 0.06 -0.15 0.02 -0.07 -0.04 0.03 -0.19 0.00 -0.05 0.02 0.02 -0.18 -0.05 -0.08 -0.04 0.03 0.01 0.16 0.10 -0.20 -0.01 0.05 -0.05 0.07 0.00 -0.09 -0.11 0.02 0.00 -0.01 0.00 -0.04 0.00 0.01 -0.05 -0.13 0.02 0.02 0.05 -0.01 -0.01 0.01 0.01 -0.01 0.01 -0.01 0.01 -0.04 -0.06 0.04 -0.02 0.08 -0.03 -0.04 0.01 0.02 -0.01 0.00 -0.02 0.08 -0.02 0.00 0.01 -0.04 -0.03 -0.05 -0.00 0.01 -0.02 0.00 0.04 0.10 -0.07 0.04 0.02 0.07 0.06 0.09 -0.05 -0.10 -0.01 -0.00 -0.02 -0.05 0.14 -0.05 -0.04 -0.02 -0.08 -0.02 0.07 -0.03 -0.01 0.02 0.07 0.06 -0.03 -0.03 -0.06 -0.05 0.04 -0.10 0.01 0.06 0.07 -0.02 0.04 0.05 -0.01 -0.07 0.00 0.00 -0.00 -0.03 0.01 0.01 0.02 -0.06 0.03 0.12 -0.17 -0.02 -0.05 0.17 -0.19 0.16 -0.18 0.02 -0.03 0.15 -0.17 -0.05 0.09 0.03 0.11 -0.19 0.28 0.04 -0.20 -0.22 -0.02 -0.08 0.06 -0.06 0.07 -0.05 -0.02 0.05 0.01 0.03 -0.02 0.08 -0.02 0.05 0.11 0.02 0.29 -0.03 -0.14 0.02 -0.04 -0.15 -0.01 -0.00 0.12 -0.01 -0.05 -0.19 -0.13 0.29 -0.01 -0.08 0.12 0.04 0.03 -0.06 -0.08 -0.00 -0.01 -0.04 0.00 -0.01 -0.01 0.00 -0.02 -0.09 0.01 0.01 -0.14 0.02 0.29 0.09 -0.04 -0.05 -0.00 -0.00 0.12 0.03 0.09 -0.06 0.01 -0.09 0.02 -0.03 0.02 -0.06 -0.17 0.04 -0.08 -0.07 0.05 0.07 0.01 -0.01 0.00 -0.01 -0.01 -0.01 -0.02 0.00 0.02 0.02 -0.02 0.02 0.11 0.01 0.14 0.03 -0.02 -0.04 -0.02 0.02 -0.03 -0.00 0.04 -0.01 -0.12 -0.07 -0.23 0.04 -0.16 0.00 0.17 0.10 0.05 -0.06 -0.01 0.02 0.18 0.07 -0.13 -0.03 0.00 0.03 -0.08 0.02 -0.06 0.04 -0.00 -0.08 -0.00 -0.01 0.06 0.06 -0.01 0.00 -0.02 -0.04 -0.02 0.02 0.00 0.03 -0.06 -0.03 -0.07 0.06 -0.12 -0.03 0.04 0.10 -0.04 -0.01 -0.04 -0.03 0.08 0.01 0.07 0.02 -0.08 -0.08 -0.01 -0.02 0.02 -0.02 0.06 -0.08 0.03 0.01 0.02 -0.00 0.04 -0.04 -0.00 0.04 -0.02 -0.03 0.04 0.00 0.08 -0.17 -0.10 0.27 -0.18 -0.33 -0.02 -0.03 0.01 -0.07 -0.04 0.07 0.01 -0.01 -0.01 0.16 -0.03 -0.09 -0.11 0.02 0.06 0.13 -0.02 -0.16 0.14 0.01 -0.16 -0.16 0.03 0.01 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 0.01 0.04 0.01 0.01 0.01 0.00 0.01 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.05 -0.20 -0.02 0.05 0.20 0.02 -0.02 -0.07 -0.01 -0.01 -0.06 -0.01 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.01 0.01 -0.02 -0.01 0.00 0.01 -0.00 0.00 -0.01 -0.00 0.01 0.01 0.00 0.00 -0.01 -0.01 0.00 -0.00 0.01 -0.00 0.00 -0.00 -0.01 0.00 -0.00 0.00 -0.00 0.01 -0.00 -0.00 0.01 0.01 0.01 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.01 -0.16 -0.64 -0.10 0.08 0.40 0.05 0.32 0.04 -0.14 -0.28 0.14 0.15 0.03 0.19 0.03 0.00 -0.00 0.01 -0.01 0.01 0.02 0.01 0.00 -0.02 0.01 0.02 -0.01 0.00 -0.03 0.01 -0.00 0.00 0.00 0.00 -0.03 0.00 -0.02 0.01 0.01 0.01 0.02 -0.01 -0.06 -0.00 -0.01 -0.03 -0.07 -0.03 0.03 0.05 -0.04 0.02 0.02 0.00 0.04 0.07 0.10 0.02 -0.01 0.01 -0.01 -0.06 -0.02 -0.01 0.01 -0.02 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 -0.03 -0.06 0.00 0.00 0.00 0.01 -0.00 -0.01 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.06 0.05 0.04 0.08 -0.14 -0.04 -0.01 0.14 -0.11 0.03 -0.05 0.04 -0.11 -0.08 -0.12 -0.10 0.20 -0.04 -0.15 -0.10 -0.05 -0.12 -0.07 -0.13 -0.06 -0.03 0.36 -0.01 -0.01 0.04 -0.03 0.02 -0.01 0.02 -0.03 0.05 -0.13 -0.12 0.31 0.25 0.11 -0.10 -0.02 -0.01 -0.02 -0.00 -0.01 -0.00 0.28 0.19 -0.13 0.22 0.13 0.01 -0.20 -0.04 0.36 0.01 0.00 -0.01 -0.01 0.00 0.00 0.00 -0.00 -0.01 0.01 0.00 -0.01 -0.02 0.00 0.00 0.00 0.01 -0.01 0.05 -0.02 -0.10 -0.05 -0.01 0.10 -0.02 -0.06 0.03 0.01 0.08 -0.03 0.01 -0.00 -0.01 -0.02 0.11 -0.02 0.06 -0.02 -0.03 0.04 -0.12 -0.04 0.06 0.16 0.07 0.02 -0.02 0.04 -0.01 -0.03 -0.01 -0.08 -0.10 0.07 -0.02 0.07 0.01 -0.04 -0.01 -0.11 -0.00 -0.05 0.01 0.01 -0.08 0.05 -0.07 0.01 0.03 0.01 -0.02 -0.01 -0.01 0.00 0.01 0.04 0.03 -0.04 0.03 -0.02 -0.04 -0.00 0.01 -0.01 -0.02 -0.01 0.04 0.00 0.00 -0.01 -0.01 0.00 -0.01 0.12 -0.15 0.15 0.11 0.18 0.13 0.04 0.13 0.08 -0.00 -0.06 -0.01 -0.01 0.02 -0.05 -0.09 -0.01 -0.08 -0.08 -0.06 -0.06 -0.11 0.01 -0.10 -0.11 0.06 0.12 -0.30 0.33 -0.27 -0.12 0.21 0.01 0.14 -0.05 0.29 -0.09 -0.03 0.10 0.02 -0.02 0.01 -0.05 0.02 0.03 0.06 0.03 -0.02 0.04 0.09 -0.01 0.17 0.12 -0.13 -0.11 0.02 0.11 -0.02 0.01 0.04 0.07 -0.03 -0.01 -0.04 0.01 0.06 -0.03 -0.01 0.05 0.07 -0.02 -0.01 0.00 -0.00 0.00 0.00 -0.00 -0.01 -0.01 -0.00 0.01 -0.00 -0.01 0.01 0.00 0.02 -0.01 0.00 -0.00 -0.01 0.00 0.01 0.00 0.01 -0.01 -0.01 -0.02 0.03 0.01 0.07 0.01 -0.06 -0.04 -0.03 -0.01 -0.05 0.03 0.04 -0.02 -0.02 -0.01 0.10 0.03 -0.02 0.01 -0.00 0.04 0.03 0.03 -0.04 0.01 -0.01 0.02 -0.01 -0.01 -0.00 -0.00 -0.01 -0.01 -0.00 0.00 0.01 0.01 0.02 0.00 -0.06 -0.04 0.05 -0.00 0.01 -0.01 -0.01 -0.00 0.02 0.00 0.00 -0.01 -0.01 0.00 -0.01 -0.12 -0.00 -0.10 -0.13 0.27 0.06 -0.03 -0.26 0.12 -0.15 -0.15 -0.22 0.15 0.10 0.08 -0.04 -0.26 -0.20 0.16 0.27 -0.05 0.06 -0.30 -0.23 -0.09 -0.04 0.29 0.11 -0.09 0.05 0.08 -0.10 0.03 -0.05 0.04 -0.13 -0.08 0.06 0.07 0.05 0.05 -0.04 0.06 0.03 0.08 -0.02 0.00 -0.04 -0.01 0.05 0.04 0.02 0.04 0.04 -0.16 -0.02 0.18 -0.01 0.01 0.02 0.05 -0.01 -0.00 -0.02 0.00 0.04 -0.02 -0.01 0.04 0.05 -0.01 -0.01 0.00 -0.00 0.01 0.00 0.01 0.01 0.02 -0.00 -0.01 0.00 -0.01 0.01 0.00 0.02 0.00 0.00 0.00 -0.00 -0.03 -0.03 -0.02 -0.00 -0.02 -0.04 -0.01 -0.00 -0.00 0.01 0.01 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.01 0.00 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 0.03 0.04 0.07 0.02 0.03 0.06 -0.08 -0.04 -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 -0.01 -0.00 -0.01 -0.01 0.02 0.00 0.01 -0.01 0.02 -0.01 -0.00 -0.01 0.01 0.00 0.01 -0.00 -0.02 -0.01 0.01 0.01 -0.01 0.00 -0.01 -0.01 -0.01 0.00 0.01 0.00 -0.00 0.00 0.00 -0.01 0.01 0.00 -0.00 0.00 -0.01 0.00 0.00 -0.00 0.00 -0.00 -0.04 -0.04 -0.07 0.44 0.31 0.81 -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 0.07 -0.04 0.11 0.00 0.00 -0.01 -0.00 -0.00 0.01 -0.00 -0.01 0.00 0.00 0.01 -0.01 0.02 0.01 -0.11 -0.01 0.00 -0.00 0.01 -0.00 -0.01 0.02 0.03 0.01 -0.03 -0.05 -0.01 -0.01 0.00 -0.01 0.01 0.01 -0.01 0.01 0.02 0.03 -0.01 -0.02 0.01 0.01 0.02 -0.00 -0.00 0.00 0.00 -0.01 -0.03 -0.05 -0.04 0.02 -0.01 0.01 0.01 0.02 0.00 -0.00 0.01 -0.01 -0.01 0.01 -0.00 0.01 -0.00 -0.01 0.01 -0.08 -0.04 -0.01 0.15 0.03 -0.00 -0.06 -0.10 0.03 -0.05 0.01 0.02 0.01 0.01 -0.09 -0.02 -0.03 0.00 -0.07 0.04 0.02 0.04 -0.03 -0.01 -0.03 0.01 0.07 0.04 -0.02 -0.04 0.02 0.01 0.04 0.05 0.04 -0.02 -0.04 0.04 -0.08 0.09 -0.06 0.02 -0.09 -0.04 -0.02 -0.02 0.03 -0.01 -0.02 0.01 -0.00 -0.01 -0.02 0.05 0.10 -0.01 -0.02 -0.01 0.02 -0.02 -0.02 -0.04 -0.04 0.04 0.05 -0.01 -0.04 0.03 -0.04 0.15 0.42 -0.09 -0.05 -0.24 0.06 0.36 -0.28 -0.04 0.36 0.44 -0.09 -0.07 -0.02 0.01 -0.04 0.02 0.00 -0.04 -0.02 0.00 0.03 0.00 -0.00 0.01 0.01 0.01 0.00 -0.00 -0.00 0.02 -0.00 0.04 -0.00 -0.01 -0.01 -0.03 0.06 0.04 0.03 -0.03 -0.07 -0.02 -0.02 0.00 -0.03 0.00 0.03 -0.02 -0.00 -0.02 0.07 0.01 -0.03 0.03 0.01 0.06 -0.03 0.01 0.01 -0.00 0.01 -0.04 0.05 -0.09 -0.04 -0.12 0.01 -0.04 0.01 0.02 0.02 0.06 0.02 0.00 -0.03 -0.02 0.01 0.01 0.01 0.00 0.02 -0.00 0.00 -0.02 -0.01 0.00 0.01 0.02 -0.01 0.01 0.06 0.03 0.04 0.01 -0.10 -0.02 -0.03 -0.02 -0.08 0.02 0.01 0.02 -0.04 -0.01 -0.03 0.01 0.06 0.02 -0.02 -0.00 -0.00 0.03 0.01 0.06 0.07 -0.04 -0.01 0.04 -0.12 0.14 -0.16 0.08 -0.21 -0.08 -0.05 -0.02 0.05 -0.01 -0.03 0.05 -0.01 -0.04 0.37 0.29 0.69 0.06 0.04 0.06 0.03 -0.03 -0.03 -0.08 -0.06 0.09 0.05 -0.02 -0.02 -0.03 0.01 -0.02 -0.08 0.01 0.01 0.05 -0.01 -0.07 0.06 0.01 -0.07 -0.08 0.01 0.01 0.02 -0.02 0.03 -0.03 -0.00 0.07 0.03 -0.00 -0.07 0.00 -0.01 0.01 -0.00 -0.00 0.01 0.00 0.00 -0.02 0.02 -0.07 0.01 -0.01 -0.01 -0.02 -0.06 -0.07 -0.01 0.02 0.07 0.01 0.03 -0.01 0.04 0.00 -0.03 0.02 0.06 0.07 0.01 -0.01 0.03 -0.03 -0.04 -0.06 -0.02 -0.01 -0.01 0.01 0.01 0.08 -0.05 -0.02 -0.08 -0.12 -0.02 0.08 -0.02 0.02 0.02 0.04 -0.04 0.00 0.03 0.02 -0.01 -0.01 -0.02 0.01 -0.02 -0.01 0.00 0.01 -0.00 0.00 0.00 0.00 -0.00 -0.01 -0.05 -0.11 0.07 -0.02 0.10 0.02 0.02 0.02 0.06 0.01 -0.03 0.00 0.05 0.01 0.04 -0.01 -0.06 -0.01 0.02 -0.01 0.01 -0.03 0.00 -0.06 -0.06 0.04 0.00 -0.14 0.27 -0.28 0.19 -0.03 0.26 0.14 0.05 0.11 -0.04 0.01 0.03 -0.07 0.01 0.05 0.36 0.19 0.57 -0.05 -0.04 -0.03 -0.04 0.03 0.03 0.08 0.06 -0.10 -0.04 0.02 0.01 0.01 -0.01 0.01 0.02 0.00 0.00 0.00 0.00 0.01 -0.01 -0.00 0.01 0.03 -0.00 -0.01 0.03 -0.02 0.06 -0.05 0.00 0.09 0.05 -0.02 -0.11 -0.03 -0.18 0.07 0.03 0.17 -0.08 0.02 -0.00 -0.03 0.06 -0.10 0.04 0.17 -0.05 -0.05 0.06 0.05 -0.00 -0.02 -0.05 -0.01 -0.02 0.00 -0.02 0.01 0.02 -0.02 -0.03 -0.05 0.03 0.00 -0.02 0.02 0.05 0.04 -0.02 0.00 0.00 -0.00 0.05 0.00 -0.05 -0.05 -0.19 0.14 -0.04 0.12 -0.04 -0.22 0.07 0.05 -0.01 0.23 -0.03 -0.01 0.01 0.00 -0.08 0.03 -0.04 -0.07 0.01 0.01 -0.05 0.01 0.03 0.09 -0.02 0.00 0.05 0.00 0.04 0.03 -0.07 0.01 -0.04 -0.01 -0.08 0.03 0.01 0.03 -0.03 -0.00 -0.04 0.00 0.07 0.02 -0.02 -0.02 0.01 0.01 0.03 0.05 0.06 -0.03 -0.02 0.01 -0.14 0.20 -0.22 0.12 -0.24 -0.04 -0.11 0.08 0.04 -0.01 -0.02 0.04 -0.01 -0.03 -0.10 -0.26 -0.10 -0.09 0.10 -0.30 0.03 -0.03 -0.03 -0.06 -0.05 0.07 0.05 -0.02 -0.03 -0.06 0.03 0.01 -0.15 0.04 0.04 0.16 -0.03 -0.17 0.16 0.01 -0.16 -0.09 0.02 0.01 0.23 -0.09 0.08 0.02 0.00 -0.04 -0.01 0.00 0.03 0.01 0.02 -0.01 -0.00 -0.02 0.01 0.05 -0.00 -0.07 -0.01 0.02 -0.01 -0.03 0.01 0.01 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.01 -0.00 0.00 -0.00 0.00 -0.01 -0.00 0.01 0.00 0.00 -0.00 0.03 -0.03 -0.02 -0.06 0.15 -0.01 -0.01 -0.02 0.02 0.06 -0.02 -0.03 -0.05 -0.10 0.06 -0.00 -0.00 0.00 -0.18 0.06 -0.11 -0.17 0.03 0.06 -0.13 0.02 0.06 0.20 -0.05 0.00 0.00 0.02 -0.02 -0.01 -0.01 -0.01 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.01 0.00 -0.01 -0.00 -0.00 0.01 -0.01 0.01 -0.01 0.00 -0.00 0.00 0.00 0.02 -0.00 -0.01 0.03 -0.03 0.03 -0.01 0.02 -0.03 0.00 0.00 -0.00 0.00 -0.00 -0.01 -0.16 0.12 -0.03 -0.08 -0.06 0.08 -0.00 -0.00 0.00 -0.01 -0.00 0.00 -0.00 -0.00 0.00 -0.19 0.06 0.06 -0.34 0.09 0.06 0.33 -0.07 -0.35 0.33 0.02 -0.33 -0.15 0.04 0.01 0.00 0.00 0.00 -0.00 -0.00 0.01 0.00 -0.00 -0.01 0.00 0.01 -0.00 -0.00 -0.01 0.00 -0.00 -0.00 -0.00 -0.00 -0.01 0.00 -0.01 0.00 0.00 -0.02 -0.02 0.00 -0.00 0.04 0.03 0.00 -0.07 -0.04 -0.06 0.12 -0.05 0.01 0.01 -0.01 0.04 -0.06 0.07 -0.01 -0.04 -0.04 0.06 0.01 -0.06 -0.00 0.01 -0.01 0.01 0.00 0.00 -0.00 0.01 -0.00 0.01 -0.00 -0.01 -0.00 -0.01 0.01 -0.08 0.03 0.08 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.10 -0.00 0.17 0.04 -0.01 0.01 0.12 0.10 0.14 -0.05 0.04 0.01 -0.01 -0.14 0.03 -0.00 0.02 -0.08 -0.12 0.17 -0.23 0.12 -0.05 0.14 0.24 -0.20 0.06 -0.17 0.20 -0.16 -0.00 0.09 0.09 0.13 -0.03 0.20 0.25 -0.08 -0.16 0.18 -0.01 -0.13 -0.03 -0.02 -0.05 -0.01 -0.01 -0.00 -0.01 -0.15 -0.00 -0.29 -0.20 0.29 0.14 -0.06 -0.08 0.00 -0.03 -0.00 0.00 -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 0.01 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 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 -0.05 -0.01 0.00 -0.00 -0.00 -0.02 -0.06 -0.01 0.00 -0.00 0.01 0.00 -0.01 -0.00 0.01 0.00 0.01 -0.00 0.01 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.01 0.01 -0.00 0.01 0.00 -0.00 -0.00 -0.01 0.01 -0.00 -0.00 0.01 -0.00 0.00 -0.00 0.01 -0.00 0.01 -0.00 0.01 -0.00 -0.01 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.01 -0.00 -0.00 0.00 0.17 0.64 0.09 0.14 0.58 0.08 0.27 0.02 -0.10 -0.25 0.11 0.13 0.03 0.12 0.02 0.00 -0.00 0.00 -0.01 -0.00 0.01 0.01 -0.00 -0.01 0.00 0.01 -0.00 -0.01 -0.01 0.01 -0.00 0.00 -0.00 -0.00 -0.01 0.00 -0.01 0.00 0.01 0.03 -0.03 0.09 -0.02 -0.08 0.04 0.05 0.09 -0.04 -0.07 -0.06 0.01 0.01 0.01 -0.01 0.01 0.02 -0.02 -0.01 0.05 -0.09 0.06 0.03 -0.04 0.00 0.02 -0.01 0.03 0.00 -0.00 -0.00 0.03 -0.01 0.02 -0.01 -0.01 -0.01 -0.01 0.01 -0.04 -0.07 0.03 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.14 -0.03 0.28 -0.11 -0.22 -0.20 0.12 0.06 0.09 -0.07 0.24 0.01 0.01 -0.06 0.11 0.12 -0.17 0.09 -0.00 0.08 -0.13 0.19 -0.24 0.02 -0.20 0.20 -0.05 -0.13 0.04 0.02 -0.23 0.19 -0.19 -0.02 -0.08 0.12 -0.13 0.13 0.03 0.01 -0.04 -0.05 -0.02 -0.03 -0.06 -0.01 -0.02 0.00 -0.08 0.08 0.10 0.14 0.11 -0.10 -0.24 0.00 0.21 0.00 -0.02 -0.00 0.00 -0.02 -0.00 -0.02 0.00 0.01 0.00 -0.01 0.00 0.01 -0.01 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.01 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 -0.01 0.00 0.00 -0.00 -0.00 0.02 -0.05 -0.01 0.09 -0.02 0.07 -0.02 0.14 0.03 -0.05 -0.06 -0.13 0.00 -0.00 -0.01 0.00 -0.03 0.06 -0.04 0.02 0.01 0.07 -0.02 0.03 0.00 0.01 -0.01 -0.00 0.00 -0.00 -0.00 0.02 -0.01 -0.00 -0.00 0.00 -0.00 -0.01 0.01 -0.07 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 -0.12 -0.09 -0.18 0.10 0.05 0.16 -0.04 -0.08 -0.03 0.10 0.03 0.03 -0.00 0.24 -0.07 -0.17 0.06 -0.15 -0.07 -0.15 0.01 -0.06 0.07 0.05 -0.15 0.17 -0.07 0.08 -0.03 -0.05 0.12 -0.12 0.05 -0.08 0.10 -0.20 -0.07 0.10 -0.04 0.32 -0.29 -0.23 0.03 0.02 0.01 0.02 -0.03 -0.00 0.26 0.02 -0.17 -0.10 -0.09 0.30 0.02 -0.10 0.15 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 0.02 0.01 -0.00 -0.01 -0.00 0.01 -0.00 -0.01 -0.01 0.01 0.00 0.00 -0.00 -0.00 -0.01 0.00 -0.01 0.00 0.01 0.01 -0.04 0.12 0.06 -0.05 0.01 -0.08 0.01 -0.06 0.01 0.02 0.01 -0.01 -0.00 -0.02 0.06 -0.03 -0.01 -0.02 0.04 -0.08 -0.10 -0.02 0.11 0.01 0.03 -0.01 0.04 0.00 -0.00 -0.00 0.04 -0.01 0.04 -0.01 -0.02 -0.01 -0.01 0.01 0.05 0.08 -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 0.04 -0.12 0.28 -0.11 0.02 -0.07 0.11 -0.15 0.20 -0.22 -0.09 -0.27 0.06 0.09 0.02 -0.17 -0.01 -0.20 0.19 0.05 0.25 -0.18 0.13 -0.15 0.10 -0.15 0.13 -0.12 0.06 -0.02 -0.17 0.16 -0.13 -0.02 -0.05 0.07 -0.10 -0.02 0.10 -0.05 -0.03 0.08 0.00 -0.03 -0.09 -0.02 -0.01 0.02 0.20 -0.01 -0.18 -0.07 -0.07 0.10 0.21 -0.01 -0.15 -0.01 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.01 -0.00 0.00 0.00 -0.00 0.01 -0.00 -0.00 -0.01 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.01 0.00 0.00 -0.05 0.05 0.02 -0.09 0.05 -0.14 0.12 -0.02 0.15 -0.03 -0.06 -0.02 -0.01 0.01 -0.00 -0.01 0.02 -0.02 0.05 -0.00 -0.01 0.03 -0.04 0.03 -0.00 -0.01 0.00 0.02 -0.02 0.00 0.00 -0.02 0.01 0.02 -0.00 -0.01 -0.00 0.01 -0.01 -0.03 0.04 -0.02 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.04 0.03 0.18 -0.27 0.09 -0.27 -0.10 0.01 -0.09 0.12 -0.07 0.10 0.31 0.04 0.31 -0.17 -0.12 -0.20 0.01 -0.05 0.02 -0.16 0.13 -0.10 -0.11 0.09 -0.02 -0.05 -0.02 0.10 -0.14 0.13 -0.09 0.05 -0.12 0.18 0.03 -0.00 -0.07 0.15 -0.20 -0.11 -0.03 -0.04 -0.00 -0.06 0.08 0.01 0.16 -0.03 -0.13 -0.11 -0.09 0.20 0.09 -0.06 0.01 -0.01 0.00 0.00 -0.01 -0.01 -0.00 0.01 -0.00 -0.01 -0.00 0.00 -0.00 -0.00 0.01 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -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 -0.04 -0.01 0.04 0.18 0.03 -0.03 -0.13 -0.02 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.01 -0.00 -0.01 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.01 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.01 0.00 -0.01 0.01 -0.01 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.01 -0.00 -0.01 -0.00 0.01 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.02 -0.08 -0.01 -0.14 -0.60 -0.08 0.46 0.04 -0.10 -0.40 0.21 0.13 0.07 0.30 0.05 -0.02 0.01 0.00 -0.01 -0.01 0.02 0.01 -0.00 -0.01 -0.00 -0.01 0.00 0.00 0.01 -0.00 -0.00 -0.00 0.00 -0.00 -0.02 0.00 0.01 -0.00 -0.00 0.13 -0.10 0.12 -0.03 0.05 -0.05 0.04 -0.03 0.06 0.01 -0.03 0.01 -0.00 -0.05 -0.01 -0.00 0.05 0.02 -0.09 0.09 -0.02 -0.01 -0.03 -0.06 0.02 0.02 -0.01 -0.00 0.07 -0.01 -0.00 0.08 -0.03 -0.04 0.01 0.02 -0.01 -0.06 0.03 0.01 0.01 0.04 -0.00 0.00 0.00 0.01 0.00 -0.01 0.00 -0.01 0.00 -0.00 0.00 -0.00 0.11 -0.03 -0.00 -0.14 0.04 -0.17 -0.22 -0.02 -0.24 0.02 -0.06 0.00 -0.02 -0.02 -0.04 -0.09 -0.03 -0.09 -0.15 -0.07 -0.17 -0.07 0.03 -0.05 0.12 -0.12 0.15 0.12 -0.05 -0.04 0.05 -0.11 -0.05 -0.20 0.19 -0.38 0.20 -0.18 -0.05 -0.02 0.17 0.02 0.11 0.09 -0.15 0.20 -0.29 -0.00 -0.14 -0.08 0.09 -0.07 -0.04 -0.05 0.05 0.03 -0.12 0.02 0.00 -0.01 0.02 0.02 0.01 -0.01 0.00 0.01 0.00 -0.01 0.00 0.00 -0.01 -0.00 -0.03 0.01 0.01 -0.00 -0.00 0.01 0.00 -0.00 -0.01 -0.00 0.02 -0.00 -0.01 -0.02 0.01 -0.00 0.01 -0.05 -0.00 -0.00 -0.00 -0.01 0.00 0.00 -0.05 -0.03 0.02 0.05 0.01 0.01 -0.07 -0.03 -0.02 0.10 0.00 0.08 -0.03 0.01 0.01 -0.10 0.11 -0.01 0.04 0.03 -0.02 0.09 -0.05 -0.09 0.02 0.00 -0.02 0.04 -0.02 -0.01 0.00 0.02 -0.01 0.05 -0.02 -0.02 -0.02 0.00 0.01 -0.04 -0.03 0.06 0.08 -0.02 0.01 -0.04 0.00 0.04 -0.00 -0.00 -0.01 0.01 -0.00 0.02 -0.19 -0.24 0.05 0.03 0.10 0.10 -0.04 -0.10 0.01 -0.08 -0.12 -0.12 -0.13 0.02 -0.17 0.06 0.12 0.14 0.07 -0.06 0.17 -0.23 0.28 -0.06 -0.10 0.14 -0.05 -0.01 -0.09 0.15 -0.17 0.11 -0.17 -0.04 -0.11 0.07 0.27 -0.13 -0.19 0.20 -0.03 -0.15 0.02 -0.03 -0.01 -0.09 0.08 0.02 -0.09 -0.06 0.07 -0.06 -0.04 0.05 -0.04 -0.02 0.04 -0.24 0.06 0.06 -0.04 0.03 -0.01 0.02 -0.01 -0.05 0.04 0.01 -0.04 -0.08 0.01 0.02 -0.10 0.03 0.03 -0.01 -0.00 0.02 0.01 -0.00 -0.01 -0.00 0.01 -0.00 -0.00 -0.00 0.00 -0.00 0.02 -0.12 -0.00 0.00 -0.00 0.02 -0.01 -0.01 -0.02 0.01 -0.03 -0.01 0.01 -0.00 0.03 0.02 0.02 -0.04 0.00 -0.05 -0.00 0.00 0.01 0.04 -0.06 0.01 0.02 -0.01 0.01 -0.04 0.03 0.04 0.06 -0.04 -0.03 0.02 0.05 -0.03 0.01 0.02 -0.01 -0.04 0.01 0.02 -0.02 -0.04 0.02 0.02 0.00 -0.02 0.22 -0.06 0.03 -0.10 0.01 0.11 0.00 0.00 -0.03 0.03 -0.01 0.05 -0.02 0.02 -0.03 0.02 0.00 0.02 0.01 0.04 -0.00 0.07 0.05 0.08 0.04 0.00 0.05 -0.02 -0.03 -0.06 -0.07 0.01 -0.11 0.14 -0.15 0.06 0.07 -0.08 0.02 -0.00 -0.01 0.03 -0.02 0.02 -0.00 0.02 -0.03 0.04 -0.13 0.06 0.09 -0.10 0.03 0.07 0.10 0.07 -0.09 0.11 -0.18 0.00 0.02 0.04 -0.02 0.05 0.03 -0.04 -0.00 0.02 -0.01 -0.68 0.16 0.15 -0.09 0.02 -0.03 0.07 -0.03 -0.13 0.08 0.04 -0.12 -0.25 0.05 0.06 0.02 -0.01 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.02 -0.01 -0.01 -0.02 0.01 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.02 0.01 0.01 -0.06 -0.06 -0.01 0.03 0.05 0.02 0.02 0.05 0.04 -0.03 -0.03 -0.07 -0.03 0.03 0.01 0.05 -0.02 0.06 0.05 0.04 -0.00 -0.06 0.02 -0.03 -0.01 0.02 -0.00 0.02 -0.06 0.01 -0.00 -0.00 0.00 0.09 -0.03 -0.03 -0.01 0.04 -0.01 0.04 -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 -0.26 -0.29 -0.04 0.01 0.09 0.05 -0.11 -0.02 -0.11 0.08 0.01 0.06 -0.07 0.07 -0.10 -0.11 -0.01 -0.13 -0.22 -0.10 -0.25 0.11 -0.14 0.05 0.18 -0.18 0.15 0.05 -0.15 0.21 -0.16 0.06 -0.21 -0.09 -0.12 0.02 0.03 -0.09 0.08 -0.13 0.23 0.09 -0.07 -0.09 0.09 -0.21 0.26 0.01 -0.14 -0.03 0.09 0.02 0.02 -0.13 0.02 0.06 -0.11 0.03 -0.01 -0.01 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.02 -0.00 -0.00 0.02 -0.01 -0.01 0.01 0.00 -0.02 -0.01 0.00 0.01 0.00 0.01 -0.00 0.00 -0.01 0.00 0.00 0.00 -0.03 0.00 0.01 -0.00 -0.02 0.01 0.01 0.11 0.01 0.09 -0.01 -0.03 -0.04 -0.01 -0.01 0.01 0.01 -0.00 -0.00 -0.00 0.05 -0.05 -0.01 -0.00 0.01 -0.10 -0.01 -0.02 0.00 0.01 -0.01 -0.05 0.03 0.01 -0.03 -0.09 0.06 -0.00 -0.07 0.03 0.05 -0.03 -0.01 0.02 0.08 -0.05 0.00 -0.01 0.01 0.05 -0.02 -0.00 -0.02 -0.00 0.05 0.02 0.00 -0.04 -0.01 -0.01 0.04 0.16 0.06 0.10 -0.03 -0.01 -0.03 -0.10 -0.09 -0.11 0.02 -0.03 0.01 0.01 0.01 -0.00 0.00 0.03 0.01 -0.00 -0.02 0.01 0.00 0.01 0.02 0.00 0.00 -0.01 -0.02 0.16 -0.26 0.23 -0.15 0.21 0.01 0.20 -0.15 0.01 -0.00 -0.01 0.00 0.02 -0.00 -0.31 -0.16 0.21 -0.29 0.43 0.01 -0.02 0.00 0.02 0.01 0.01 -0.02 -0.02 0.01 0.00 -0.25 0.06 0.06 -0.03 0.01 -0.04 0.01 -0.02 -0.07 0.02 0.03 -0.06 -0.19 0.04 0.05 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 0.01 -0.00 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.01 -0.04 -0.10 -0.03 -0.02 0.11 0.05 0.07 -0.05 -0.04 -0.07 0.07 0.04 0.03 0.01 0.04 0.11 -0.03 0.01 0.00 0.03 -0.02 -0.10 -0.02 -0.02 0.00 0.00 -0.03 -0.01 0.01 -0.00 -0.03 0.01 -0.02 0.00 0.01 0.01 0.02 -0.01 0.00 0.07 0.02 -0.00 0.00 -0.01 0.00 -0.00 0.02 0.04 -0.00 -0.04 -0.02 -0.00 0.04 0.07 0.14 -0.18 -0.05 -0.25 -0.18 0.19 0.21 0.15 -0.20 0.20 -0.14 -0.03 -0.08 0.06 -0.07 -0.23 -0.09 -0.02 0.05 -0.11 -0.16 0.02 -0.26 -0.04 -0.01 0.24 0.09 -0.08 0.06 0.04 -0.08 -0.01 -0.03 0.00 -0.05 0.12 -0.21 0.00 0.02 0.07 0.02 -0.09 -0.01 0.11 -0.01 0.04 -0.02 0.02 -0.13 -0.05 -0.18 -0.11 0.10 0.20 -0.00 -0.17 -0.10 0.03 0.02 0.03 0.01 -0.04 -0.01 -0.02 -0.05 0.00 0.03 -0.04 -0.18 0.03 0.05 -0.04 0.01 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.01 -0.00 -0.00 -0.00 0.00 -0.02 0.01 -0.02 -0.00 0.01 -0.00 0.01 -0.00 -0.00 0.02 0.02 -0.01 -0.00 -0.04 0.01 0.01 0.04 -0.01 -0.01 -0.04 0.01 0.01 0.03 -0.01 0.01 0.04 0.01 -0.02 -0.02 0.00 -0.01 -0.03 -0.03 0.03 -0.01 -0.01 -0.01 -0.01 0.01 0.01 -0.04 0.01 -0.01 -0.01 0.01 -0.01 0.02 -0.01 0.01 0.01 0.02 0.14 -0.04 0.04 -0.05 0.02 -0.03 -0.17 0.01 0.18 0.09 0.00 -0.17 0.07 0.08 0.00 -0.01 -0.07 -0.04 0.03 0.00 0.02 -0.04 0.05 -0.04 0.00 0.02 0.02 -0.05 -0.05 -0.05 -0.02 -0.03 -0.03 -0.06 0.02 -0.07 0.01 -0.02 0.10 -0.02 0.06 -0.08 0.08 -0.04 0.09 0.04 0.04 -0.00 0.07 -0.10 0.01 0.01 0.08 0.00 -0.10 -0.03 0.07 -0.11 0.13 0.02 -0.04 -0.05 0.02 -0.05 -0.03 -0.01 0.05 0.02 -0.07 0.07 -0.01 -0.03 -0.21 0.03 0.19 0.06 0.06 0.18 0.01 -0.12 0.15 0.69 -0.13 -0.20 0.01 -0.00 -0.00 0.00 0.01 -0.01 -0.01 0.01 0.01 0.00 -0.01 0.00 0.00 0.01 -0.01 0.00 -0.00 0.01 -0.00 0.00 -0.00 0.01 -0.00 -0.00 -0.04 0.13 0.02 0.04 -0.10 -0.04 -0.05 0.11 0.03 0.03 -0.09 -0.07 0.01 0.01 -0.02 -0.00 0.03 0.09 0.01 -0.08 -0.03 -0.04 0.01 -0.10 -0.00 -0.01 0.01 0.01 0.02 -0.01 0.01 -0.04 0.01 -0.06 0.03 0.02 0.00 -0.02 0.01 0.04 -0.03 0.06 -0.03 0.01 -0.01 0.01 -0.00 0.00 0.03 -0.00 -0.03 -0.02 -0.00 0.03 0.03 0.13 0.12 -0.03 0.02 0.04 0.06 -0.18 0.08 0.04 -0.04 -0.05 0.09 0.23 0.03 -0.22 0.07 -0.19 -0.02 -0.21 0.08 -0.10 0.09 0.02 0.07 -0.04 0.12 -0.17 0.17 -0.14 0.02 0.10 0.17 0.19 -0.03 0.23 0.17 -0.18 0.01 0.03 0.25 -0.04 0.12 0.04 -0.11 0.12 -0.15 -0.01 -0.24 -0.06 0.18 0.01 0.01 -0.18 -0.04 0.08 -0.11 0.02 -0.00 -0.00 0.04 -0.00 -0.03 -0.01 -0.01 -0.03 -0.00 0.02 -0.02 -0.11 0.02 0.03 0.01 -0.01 -0.00 0.00 0.00 -0.01 -0.01 0.01 0.01 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.01 -0.00 -0.00 -0.00 0.06 0.06 0.02 -0.03 -0.02 0.00 0.02 -0.01 -0.03 -0.01 0.04 -0.03 0.02 -0.02 0.04 0.06 -0.06 -0.00 -0.03 -0.02 -0.01 -0.08 0.03 -0.01 0.01 0.01 0.04 -0.01 -0.01 0.02 -0.04 0.01 -0.03 0.01 0.01 -0.00 -0.01 0.01 -0.01 0.06 -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 -0.17 -0.18 0.09 0.16 0.08 0.23 -0.22 -0.13 -0.26 0.14 0.06 0.16 -0.18 -0.04 -0.17 0.25 -0.06 0.28 -0.17 0.03 -0.27 0.13 -0.21 -0.10 -0.12 0.09 0.07 -0.09 0.08 -0.07 -0.01 0.08 0.07 0.07 -0.00 0.08 -0.06 -0.06 0.06 -0.06 -0.01 0.08 0.18 0.02 -0.14 0.03 -0.04 0.01 0.10 -0.08 -0.10 -0.13 -0.07 0.12 0.16 -0.03 -0.08 0.01 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.08 0.03 0.02 -0.02 -0.02 0.05 0.03 -0.03 -0.05 -0.01 0.04 -0.01 -0.01 -0.02 0.02 0.00 -0.00 0.01 0.00 -0.00 0.01 -0.02 0.01 0.01 0.03 0.10 -0.02 -0.00 -0.05 -0.04 -0.01 0.04 -0.01 -0.01 -0.03 0.00 -0.06 -0.18 0.09 0.02 0.04 -0.01 0.00 -0.04 -0.01 -0.02 -0.05 -0.01 0.15 -0.10 -0.03 -0.08 0.05 0.03 -0.04 0.22 -0.07 0.20 -0.08 -0.07 -0.03 0.01 0.01 0.01 0.03 0.01 -0.04 0.01 0.00 0.01 0.00 -0.02 0.02 -0.00 -0.01 -0.01 0.00 0.02 0.17 0.37 -0.12 0.18 0.05 0.23 -0.01 -0.06 -0.03 0.11 0.04 0.11 0.01 0.04 0.01 0.10 -0.01 0.13 -0.04 -0.02 -0.06 0.05 -0.11 -0.05 -0.09 0.08 0.06 -0.06 0.08 -0.09 0.06 -0.00 0.09 0.10 0.01 0.09 -0.01 -0.08 0.06 -0.01 0.04 0.02 -0.42 -0.03 0.24 -0.16 0.14 0.02 -0.00 -0.06 -0.01 -0.08 -0.04 0.02 0.09 0.01 -0.08 0.09 -0.02 -0.03 0.11 -0.02 -0.01 -0.01 -0.00 -0.01 -0.00 0.01 -0.01 -0.06 0.01 0.02 -0.08 0.01 0.04 0.00 -0.00 0.00 -0.01 0.01 0.01 0.00 -0.01 0.00 0.01 0.00 -0.01 0.00 -0.00 0.01 -0.02 0.03 -0.01 0.01 -0.00 -0.01 0.01 -0.02 0.00 -0.00 0.00 0.01 0.01 -0.00 -0.00 0.00 0.00 0.01 0.00 0.02 -0.01 -0.00 -0.01 -0.00 -0.01 0.00 0.00 0.01 0.01 0.01 0.21 0.01 -0.10 -0.03 0.04 -0.00 0.13 -0.10 -0.04 -0.08 -0.00 0.04 -0.07 -0.06 0.05 -0.00 -0.01 -0.01 -0.06 0.02 0.00 -0.00 0.00 -0.02 0.02 -0.00 -0.01 -0.01 -0.00 0.02 0.01 -0.02 -0.01 -0.02 -0.03 -0.04 -0.02 0.01 -0.02 -0.04 0.01 -0.03 -0.01 -0.01 -0.01 -0.03 -0.02 -0.04 -0.01 0.01 -0.01 -0.03 0.04 -0.00 0.05 -0.05 0.00 0.00 0.00 -0.01 -0.01 0.01 0.00 -0.01 0.02 -0.03 0.02 0.02 -0.04 -0.01 -0.02 0.01 0.21 0.09 -0.15 -0.63 0.52 0.16 0.01 0.02 -0.00 0.02 0.01 0.00 -0.03 -0.01 0.03 0.18 -0.04 -0.04 0.18 -0.04 -0.01 -0.00 -0.01 -0.02 0.00 0.02 -0.02 -0.08 0.02 0.03 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.01 -0.05 -0.01 -0.02 0.03 -0.03 -0.03 -0.03 -0.01 -0.01 0.01 -0.06 -0.01 0.00 0.00 0.02 0.00 0.03 -0.01 0.03 0.02 -0.05 -0.05 -0.06 -0.01 0.03 -0.01 0.00 -0.01 0.00 0.01 -0.01 -0.00 -0.01 0.00 0.00 0.00 -0.01 0.00 0.04 0.04 0.05 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.08 -0.03 0.09 0.06 0.05 0.07 0.13 0.05 0.17 0.13 -0.03 0.13 0.17 0.03 0.17 0.10 0.11 0.13 0.21 0.03 0.27 0.16 -0.18 0.07 -0.33 0.34 -0.09 0.06 -0.05 0.04 -0.01 -0.04 -0.05 -0.06 0.02 -0.08 -0.20 -0.10 0.27 0.18 0.06 -0.14 0.10 0.01 -0.06 -0.07 0.06 0.01 -0.12 -0.15 0.08 -0.11 -0.06 -0.07 0.13 0.07 -0.21 -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 -0.02 -0.00 -0.00 -0.00 0.01 -0.00 0.00 0.00 -0.01 0.01 0.00 -0.00 -0.01 0.00 -0.00 0.00 -0.01 -0.00 -0.01 -0.01 -0.00 0.00 0.00 0.06 0.05 -0.04 -0.05 -0.01 0.01 0.05 0.01 -0.05 -0.03 -0.02 0.02 -0.13 -0.05 0.08 0.01 -0.01 0.01 -0.01 -0.02 0.02 -0.00 0.03 0.00 -0.08 0.08 0.00 0.01 -0.04 0.01 0.01 0.05 -0.02 0.05 -0.03 -0.01 0.02 -0.03 -0.00 0.00 -0.02 0.00 0.02 -0.01 -0.00 0.01 -0.00 0.01 -0.00 0.00 0.00 -0.00 0.00 -0.01 0.00 -0.04 -0.02 0.19 -0.03 0.21 -0.03 0.10 -0.09 -0.02 0.14 0.01 0.06 -0.10 0.12 -0.10 -0.10 -0.14 0.12 0.06 0.11 -0.16 0.16 -0.06 0.08 -0.08 0.04 0.02 0.03 -0.05 -0.02 0.03 0.05 0.04 0.08 -0.05 0.06 0.01 -0.05 0.05 -0.01 -0.05 0.61 0.09 -0.38 -0.18 0.18 0.02 -0.02 0.03 0.03 0.04 0.02 -0.03 -0.05 0.01 0.02 -0.08 0.02 0.02 -0.10 0.02 -0.00 -0.00 0.01 0.01 -0.01 -0.01 0.01 0.03 -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 -0.01 -0.00 -0.01 0.00 0.00 -0.01 -0.03 -0.04 0.02 -0.01 -0.04 -0.08 0.02 0.05 0.04 -0.02 -0.03 -0.01 -0.03 0.03 -0.01 0.04 -0.00 0.00 0.01 0.02 0.03 -0.02 0.02 -0.04 0.06 -0.01 -0.02 -0.01 0.01 -0.00 0.00 -0.00 0.01 0.00 -0.00 0.02 -0.02 -0.00 -0.04 0.01 -0.03 0.01 -0.00 -0.00 0.01 -0.00 0.01 0.00 -0.00 0.00 -0.00 0.00 -0.01 0.24 0.21 0.07 -0.12 0.04 -0.12 0.26 -0.02 0.34 0.07 -0.16 0.00 0.07 0.19 0.02 0.13 0.13 0.19 -0.20 -0.14 -0.19 0.17 -0.18 0.06 0.05 -0.04 0.06 0.04 -0.03 0.02 -0.02 -0.02 -0.04 -0.03 0.01 -0.04 0.15 -0.04 -0.14 -0.29 0.04 0.23 0.21 0.04 -0.12 -0.11 0.11 0.01 0.12 0.03 -0.10 0.00 0.01 0.09 0.01 -0.07 0.09 -0.07 0.02 0.01 -0.08 0.02 0.00 -0.00 0.00 0.01 -0.01 -0.01 0.01 0.02 -0.00 -0.01 -0.01 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.01 -0.03 -0.00 -0.05 0.01 -0.04 -0.01 0.01 -0.06 -0.03 -0.05 -0.01 0.01 0.04 -0.03 0.02 0.04 0.01 -0.02 0.03 0.01 0.00 0.01 0.01 0.02 -0.04 0.01 0.02 0.00 -0.01 0.01 -0.01 0.00 -0.01 0.00 0.01 -0.02 0.02 0.00 -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 -0.00 0.01 0.06 -0.18 0.29 0.33 0.07 0.38 0.07 0.03 0.09 0.19 0.11 0.21 0.23 -0.00 0.27 0.05 -0.04 0.08 0.12 0.01 0.13 -0.08 0.07 -0.06 0.11 -0.12 0.14 0.06 -0.06 0.05 0.04 -0.08 -0.01 -0.07 0.01 -0.06 0.26 -0.07 -0.20 -0.16 0.02 0.11 -0.14 -0.03 0.09 0.08 -0.08 -0.01 0.06 0.07 -0.04 0.05 0.03 0.03 -0.06 -0.03 0.08 0.08 -0.02 -0.01 0.08 -0.02 -0.00 0.00 -0.01 -0.02 0.01 0.01 -0.02 -0.02 0.00 0.01 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.01 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.01 0.00 0.00 -0.03 -0.03 -0.01 0.01 -0.01 -0.04 -0.03 0.02 0.01 -0.02 -0.02 0.03 0.02 -0.01 -0.00 0.01 -0.02 -0.05 0.00 0.02 0.01 -0.02 0.04 0.02 -0.00 0.02 -0.01 -0.01 0.00 0.01 -0.01 -0.01 0.01 -0.01 0.01 -0.00 0.01 -0.01 0.00 0.03 -0.01 0.03 -0.00 0.00 -0.00 0.01 -0.00 0.01 0.01 -0.00 -0.00 -0.00 0.00 -0.01 0.17 0.10 0.15 0.06 0.07 0.09 0.11 -0.05 0.15 0.12 -0.02 0.11 -0.05 0.05 -0.05 0.18 -0.07 0.20 -0.21 -0.03 -0.25 -0.26 0.23 -0.19 0.22 -0.23 0.03 0.02 -0.03 0.04 0.01 -0.03 -0.02 -0.04 -0.01 -0.02 -0.22 0.13 0.13 0.40 -0.12 -0.29 -0.02 0.00 0.01 -0.02 0.02 0.00 -0.10 -0.01 0.09 0.01 0.00 -0.08 -0.01 0.06 -0.07 -0.05 0.01 0.01 -0.10 0.02 -0.00 -0.01 0.01 0.02 -0.01 -0.01 0.02 0.01 -0.00 -0.01 0.02 -0.01 -0.01 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.01 0.02 -0.00 -0.01 -0.01 0.01 -0.01 0.00 0.00 0.00 -0.00 -0.00 0.02 -0.01 -0.01 0.01 0.01 -0.03 -0.00 -0.01 -0.00 -0.01 0.01 0.02 0.01 0.00 0.01 -0.04 0.02 0.01 -0.01 -0.01 -0.01 -0.01 0.00 0.01 0.00 0.00 0.00 -0.02 -0.01 0.02 0.02 -0.01 -0.00 -0.01 0.01 -0.00 0.01 -0.02 0.00 0.00 0.02 -0.01 0.01 0.00 0.01 0.05 -0.01 0.01 -0.09 0.03 -0.07 -0.06 0.01 0.03 0.02 -0.01 0.05 0.05 -0.05 0.10 -0.04 -0.01 -0.05 0.06 0.02 0.06 -0.06 -0.04 -0.07 -0.00 0.03 -0.01 0.02 0.02 0.03 -0.10 -0.04 -0.11 -0.01 0.01 -0.01 0.03 -0.03 -0.02 0.04 -0.01 -0.02 0.02 -0.03 0.01 -0.00 0.03 -0.03 -0.09 0.04 0.05 0.06 -0.02 -0.04 0.09 0.00 -0.05 0.05 -0.03 -0.02 -0.02 -0.01 0.01 -0.01 -0.00 -0.01 0.01 0.01 -0.02 0.15 -0.03 -0.09 0.86 -0.20 0.05 0.08 -0.03 -0.13 0.09 0.02 -0.12 -0.06 0.00 0.05 -0.01 0.01 -0.00 -0.00 -0.01 0.01 0.01 -0.01 -0.01 -0.01 0.02 -0.00 -0.01 -0.01 0.01 -0.00 0.00 -0.01 -0.00 0.01 -0.00 0.02 -0.01 -0.01 0.02 0.02 -0.05 -0.01 -0.01 0.01 -0.00 0.01 0.02 0.04 0.01 0.01 -0.07 0.07 0.01 -0.01 -0.01 -0.01 -0.03 0.00 0.02 0.01 -0.01 -0.00 0.01 -0.09 0.03 0.05 -0.00 -0.03 0.04 0.03 -0.03 0.00 -0.06 0.02 -0.04 0.04 0.00 0.00 0.01 0.01 0.03 -0.01 0.01 -0.01 -0.01 0.10 -0.03 0.02 -0.10 0.02 -0.01 0.01 0.07 -0.16 0.24 -0.04 -0.04 -0.05 0.05 0.03 0.05 -0.16 -0.06 -0.17 0.04 0.05 0.03 -0.01 0.04 -0.01 -0.15 -0.06 -0.15 0.03 -0.03 0.02 0.00 0.00 -0.05 0.08 -0.02 -0.03 0.05 -0.07 0.03 -0.01 0.06 -0.05 -0.12 0.04 0.08 0.03 -0.02 -0.02 0.06 -0.00 -0.02 0.04 -0.04 -0.01 -0.02 -0.02 0.01 -0.02 -0.01 0.00 0.02 0.01 -0.02 0.64 -0.17 0.08 -0.40 0.10 -0.11 -0.07 -0.05 -0.07 -0.04 0.09 -0.05 -0.04 0.01 0.01 -0.01 0.00 -0.00 0.00 0.01 -0.01 -0.00 0.00 0.00 -0.01 0.02 -0.00 -0.02 -0.01 0.02 -0.01 0.00 -0.01 0.01 -0.01 0.00 0.03 -0.01 -0.01 0.00 -0.01 0.05 0.02 0.01 -0.01 -0.01 -0.01 -0.01 -0.05 -0.01 -0.01 0.04 -0.05 -0.00 0.02 0.01 0.00 0.02 -0.01 -0.02 -0.02 0.01 0.01 -0.02 0.07 -0.03 -0.04 -0.01 0.02 -0.05 -0.02 0.03 -0.00 0.04 -0.02 0.04 -0.03 -0.01 -0.00 -0.01 -0.00 0.07 -0.02 0.02 -0.05 0.01 0.06 -0.06 0.02 -0.07 0.03 -0.01 0.03 -0.12 0.14 -0.34 -0.08 0.03 -0.09 0.05 -0.02 0.07 0.25 0.05 0.27 -0.12 -0.04 -0.11 0.06 -0.05 0.07 0.16 0.08 0.18 -0.05 0.04 -0.04 0.02 -0.03 0.07 -0.08 0.04 -0.00 -0.06 0.08 -0.03 0.03 -0.04 0.04 0.13 -0.05 -0.10 0.03 0.00 -0.02 -0.01 -0.00 -0.00 -0.03 0.04 0.00 0.01 0.03 0.00 0.03 0.02 -0.01 -0.02 0.00 0.01 0.61 -0.16 0.04 0.00 0.01 -0.07 -0.03 -0.06 -0.13 0.00 0.10 -0.10 -0.04 0.00 0.02 -0.00 0.00 0.00 0.00 0.01 -0.02 -0.01 0.01 0.01 -0.00 0.01 -0.00 -0.02 -0.01 0.01 -0.00 0.00 -0.00 0.01 -0.02 0.01 0.03 -0.01 -0.01 -0.07 -0.03 -0.03 0.02 -0.02 -0.03 0.05 0.02 -0.00 0.03 0.03 0.05 0.04 -0.04 0.00 -0.01 -0.03 0.01 -0.00 0.03 0.02 0.03 -0.02 -0.02 -0.00 0.05 -0.02 -0.03 -0.00 0.02 -0.03 -0.02 0.02 -0.00 0.04 -0.01 0.03 -0.03 -0.00 -0.00 0.01 -0.01 0.02 -0.01 0.00 -0.01 0.00 0.01 -0.01 0.00 -0.01 0.01 -0.00 0.01 0.37 0.18 0.42 0.21 0.09 0.27 -0.11 -0.10 -0.13 -0.05 0.05 -0.05 -0.20 -0.10 -0.19 -0.29 -0.06 -0.35 -0.02 0.04 -0.05 0.04 0.01 0.08 -0.16 0.15 -0.10 0.03 -0.05 0.07 0.02 -0.06 -0.03 -0.08 -0.03 -0.03 -0.09 0.02 0.07 -0.14 0.07 0.10 -0.02 -0.00 0.01 -0.02 0.02 0.00 -0.02 -0.03 -0.01 -0.04 -0.03 0.05 0.01 -0.01 0.04 0.11 -0.03 0.01 0.01 -0.00 -0.01 -0.01 -0.01 -0.02 0.00 0.02 -0.02 -0.01 0.00 0.00 -0.00 -0.00 0.00 0.01 0.02 -0.03 -0.01 0.02 0.02 -0.03 0.06 -0.01 -0.05 -0.04 0.04 0.00 -0.00 -0.00 0.01 -0.04 0.01 0.10 -0.03 -0.04 -0.01 -0.00 0.02 -0.03 0.01 0.04 -0.01 -0.01 -0.01 0.04 -0.01 -0.03 0.03 -0.03 -0.00 -0.01 0.01 -0.01 0.01 -0.00 -0.01 0.00 0.00 0.00 0.01 0.04 -0.03 -0.03 -0.01 0.02 -0.04 -0.01 0.03 -0.01 0.05 -0.01 0.03 -0.03 -0.00 -0.00 0.00 0.01 0.00 -0.00 0.00 0.00 -0.00 0.01 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.07 0.02 -0.10 0.15 -0.04 0.16 -0.20 0.04 -0.25 -0.35 -0.05 -0.35 0.43 0.10 0.42 0.15 0.12 0.19 -0.14 -0.12 -0.13 0.02 -0.06 -0.02 0.08 -0.06 -0.01 -0.04 0.01 0.02 -0.01 0.03 -0.00 0.00 -0.03 0.02 -0.06 0.02 0.05 0.03 -0.05 -0.04 -0.05 -0.01 0.03 -0.03 0.03 0.00 0.01 -0.00 -0.00 -0.00 0.01 -0.02 0.02 0.01 -0.03 0.03 -0.01 0.00 -0.03 0.01 -0.01 -0.01 -0.00 -0.00 -0.00 0.01 0.00 -0.00 0.00 -0.00 0.01 -0.00 0.00 0.01 0.03 -0.05 -0.02 0.03 0.03 -0.07 0.17 -0.02 -0.12 -0.09 0.09 0.01 -0.00 0.01 0.02 -0.08 0.02 0.24 -0.09 -0.09 0.04 0.02 -0.03 0.02 -0.00 -0.03 -0.01 0.00 0.01 -0.03 0.00 0.02 -0.05 0.04 0.01 0.01 -0.00 0.00 -0.02 0.00 0.01 -0.01 0.00 0.00 0.03 -0.06 0.01 0.03 -0.01 -0.01 0.00 0.04 -0.01 -0.03 -0.02 0.02 -0.01 0.03 -0.00 0.00 -0.00 -0.00 -0.06 0.02 -0.02 0.04 -0.01 -0.03 0.04 -0.01 0.03 -0.02 0.01 -0.02 -0.02 -0.14 0.06 -0.20 0.01 -0.23 0.22 -0.00 0.27 0.30 0.02 0.30 -0.31 -0.05 -0.31 -0.06 -0.08 -0.08 0.10 0.08 0.09 -0.02 0.04 -0.00 -0.03 0.02 0.02 0.06 -0.01 -0.04 0.03 -0.05 0.02 0.02 0.05 -0.01 0.05 -0.01 -0.05 0.01 0.03 0.00 -0.01 -0.02 0.01 -0.03 0.04 -0.01 -0.01 0.01 0.00 0.01 -0.00 0.00 -0.01 -0.00 0.02 -0.31 0.08 -0.02 -0.08 0.01 0.03 0.01 0.03 0.08 -0.01 -0.06 0.07 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 -0.01 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.06 0.00 0.05 -0.08 -0.00 -0.06 -0.01 0.02 -0.01 0.04 0.00 0.05 0.01 -0.01 -0.01 -0.02 -0.03 0.01 -0.00 -0.00 -0.02 0.07 -0.02 -0.05 0.01 0.02 -0.01 -0.00 -0.00 0.00 -0.01 -0.01 0.01 -0.00 0.02 -0.01 0.00 -0.01 0.00 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 -0.32 -0.20 -0.31 0.14 0.02 0.17 0.30 0.14 0.34 0.06 -0.00 0.05 0.04 0.01 0.07 -0.17 -0.02 -0.19 -0.14 -0.03 -0.18 -0.09 0.12 0.02 -0.00 0.01 -0.07 -0.02 -0.01 -0.00 0.00 0.04 0.02 0.04 -0.00 0.05 -0.32 0.14 0.22 -0.20 0.08 0.15 -0.06 -0.02 0.03 0.01 -0.02 0.00 -0.08 -0.08 0.01 -0.09 -0.07 0.10 0.02 -0.02 0.09 0.00 -0.00 0.00 -0.01 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.04 -0.02 -0.00 -0.08 -0.19 0.31 0.19 -0.25 -0.24 -0.05 0.11 -0.01 -0.09 -0.06 0.07 0.01 -0.00 0.00 -0.14 0.59 -0.11 0.17 -0.06 -0.07 -0.00 0.03 -0.03 0.01 0.00 0.02 -0.01 -0.00 -0.01 -0.00 0.00 -0.00 0.03 -0.04 -0.00 0.01 -0.01 0.01 -0.01 0.01 0.01 0.01 0.00 -0.01 -0.01 0.09 -0.02 -0.05 -0.01 0.03 -0.07 -0.16 0.10 -0.01 0.05 -0.02 0.06 -0.02 -0.03 0.00 0.00 -0.00 -0.04 0.02 -0.01 0.01 -0.00 -0.02 0.02 -0.01 0.01 -0.01 0.00 -0.01 -0.02 -0.20 0.21 -0.06 0.00 -0.05 -0.03 0.00 -0.06 0.01 -0.00 0.01 0.05 0.02 0.05 0.04 0.00 0.04 -0.03 -0.01 -0.03 -0.07 0.07 -0.03 -0.02 0.03 -0.01 0.05 -0.03 0.00 0.00 -0.01 0.01 0.01 0.03 -0.00 -0.02 0.01 0.02 -0.05 0.02 0.03 0.08 0.02 -0.05 0.17 -0.08 -0.00 -0.02 -0.01 0.01 -0.02 -0.02 0.02 -0.02 0.00 0.03 -0.12 0.03 -0.01 -0.02 0.00 0.01 0.02 0.02 0.04 0.01 -0.04 0.03 -0.00 0.00 -0.01 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.01 -0.00 0.00 -0.00 0.00 -0.02 -0.01 -0.01 0.04 0.01 0.04 -0.02 -0.02 -0.01 -0.05 0.00 -0.02 -0.01 0.02 0.00 0.09 -0.07 0.05 0.01 -0.01 0.01 0.04 -0.00 -0.06 -0.01 -0.02 0.01 0.01 0.00 -0.01 0.01 0.01 -0.01 -0.00 -0.02 0.01 -0.00 0.01 -0.00 0.02 0.02 -0.03 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.10 0.14 0.01 -0.10 -0.02 -0.13 -0.14 -0.06 -0.15 0.04 -0.02 0.04 0.08 0.02 0.07 0.21 0.01 0.24 -0.03 0.03 -0.04 -0.40 0.41 -0.16 -0.15 0.17 -0.04 -0.02 0.04 -0.01 -0.03 0.01 -0.03 -0.02 -0.01 -0.04 -0.08 0.03 0.08 -0.33 0.17 0.22 0.03 0.01 -0.01 -0.02 0.02 -0.00 -0.17 -0.05 0.05 -0.11 -0.12 0.15 -0.10 -0.01 0.20 0.01 -0.00 0.00 0.01 -0.00 -0.00 0.01 0.00 -0.00 0.01 -0.00 -0.01 0.00 -0.00 0.00 -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 0.02 0.01 0.01 -0.04 -0.01 -0.03 0.01 0.01 0.03 0.01 0.04 0.02 0.00 -0.01 -0.00 0.10 -0.07 0.01 -0.01 0.00 -0.01 -0.10 0.03 0.04 0.01 0.01 -0.01 -0.01 -0.00 0.00 -0.01 -0.01 0.01 0.00 0.02 -0.01 0.00 -0.01 0.00 0.01 -0.03 -0.01 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.11 -0.14 -0.03 0.07 0.01 0.10 0.15 0.07 0.16 -0.14 -0.07 -0.16 -0.05 0.01 -0.05 0.04 0.01 0.02 -0.21 -0.01 -0.26 -0.09 0.10 -0.09 -0.40 0.39 -0.13 0.02 -0.03 0.01 0.03 -0.01 0.02 0.02 0.01 0.03 0.42 -0.19 -0.28 0.10 -0.00 -0.08 -0.02 -0.01 0.01 0.01 -0.02 0.00 0.02 0.10 0.02 0.05 0.02 -0.05 -0.09 0.05 -0.02 -0.00 0.00 0.00 -0.00 0.01 0.00 0.01 0.00 0.00 0.01 -0.01 -0.00 0.01 0.00 -0.00 0.01 -0.00 -0.00 -0.00 -0.01 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 0.01 -0.01 0.01 -0.01 -0.00 -0.02 -0.03 0.03 -0.00 0.00 -0.01 -0.00 0.00 -0.01 0.01 0.00 0.01 -0.01 0.02 -0.00 -0.00 -0.00 -0.00 0.02 -0.00 -0.01 -0.01 0.00 0.01 -0.02 -0.01 0.02 0.02 0.01 -0.01 0.02 0.01 -0.02 -0.02 -0.03 0.02 -0.01 0.01 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.02 0.01 0.00 -0.03 -0.12 0.02 0.04 0.05 0.22 -0.16 0.08 0.01 0.07 -0.02 -0.03 -0.00 0.02 0.01 0.02 0.03 -0.00 0.04 -0.05 -0.01 -0.06 -0.03 -0.01 -0.05 0.03 -0.02 0.01 -0.02 0.02 -0.01 -0.06 0.02 0.03 -0.02 0.03 -0.01 -0.02 -0.04 -0.00 0.02 -0.01 -0.01 0.02 -0.02 -0.02 -0.00 0.00 0.00 -0.03 0.04 0.00 0.02 0.01 -0.01 0.00 0.00 -0.02 -0.00 0.01 -0.02 0.06 -0.02 0.02 -0.04 0.01 -0.04 0.57 0.21 -0.09 0.41 -0.40 -0.18 0.31 -0.08 0.01 0.03 -0.01 -0.01 -0.00 -0.02 0.02 0.01 -0.01 -0.01 -0.01 0.03 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.01 0.02 -0.02 0.03 -0.02 -0.00 -0.04 -0.08 0.08 -0.00 0.01 -0.02 -0.01 0.00 -0.03 0.03 0.01 0.04 -0.01 0.06 -0.01 0.00 -0.01 -0.01 0.04 -0.00 -0.02 -0.02 0.01 0.01 -0.06 -0.03 0.04 0.05 0.02 -0.03 0.06 0.02 -0.04 -0.04 -0.08 0.05 -0.02 0.04 -0.00 -0.01 -0.01 0.01 0.00 0.00 -0.00 -0.00 0.00 -0.01 -0.01 -0.00 0.02 0.06 -0.01 -0.02 0.13 0.53 -0.39 0.19 0.02 0.17 -0.06 -0.08 -0.01 0.05 0.02 0.04 0.07 -0.00 0.09 -0.11 -0.01 -0.13 -0.09 -0.01 -0.13 0.04 -0.03 0.02 -0.07 0.06 -0.04 -0.15 0.06 0.06 -0.05 0.08 -0.04 -0.06 -0.10 -0.02 0.06 -0.03 -0.04 0.05 -0.03 -0.04 0.01 0.01 -0.00 -0.06 0.08 0.00 0.05 0.03 -0.01 0.03 0.03 -0.04 0.01 0.01 -0.06 -0.05 0.01 -0.01 0.06 -0.02 0.02 -0.30 -0.12 0.04 -0.22 0.22 0.08 -0.16 0.04 -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 -0.01 0.01 -0.01 0.01 0.00 0.00 0.02 -0.02 0.03 0.01 0.04 -0.06 -0.01 -0.07 0.04 0.01 0.06 0.00 -0.01 0.00 0.01 -0.03 0.00 0.02 -0.02 0.04 0.01 0.00 -0.02 0.02 0.00 -0.01 -0.01 -0.01 0.01 -0.02 -0.00 0.01 0.01 0.01 -0.01 0.00 -0.00 -0.00 -0.06 -0.02 0.06 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.02 -0.09 0.08 -0.13 -0.03 -0.16 -0.07 -0.02 -0.09 0.25 0.04 0.25 0.17 0.03 0.19 -0.12 -0.04 -0.15 -0.15 -0.02 -0.18 -0.08 0.09 -0.02 -0.09 0.10 -0.07 -0.03 0.18 -0.14 -0.16 0.02 -0.12 -0.04 0.06 -0.20 -0.03 0.01 0.03 -0.06 0.02 0.03 0.00 -0.00 0.01 0.03 -0.03 -0.00 0.34 0.08 -0.12 0.17 0.23 -0.23 0.18 -0.03 -0.34 0.01 -0.00 0.00 -0.01 0.00 -0.00 0.01 0.00 -0.00 0.01 -0.01 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.01 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.01 0.01 -0.02 -0.01 -0.03 0.05 0.00 0.06 -0.05 0.00 -0.05 -0.00 0.00 -0.00 0.02 -0.02 0.03 -0.02 0.02 -0.04 0.04 -0.01 -0.04 -0.01 -0.00 0.01 0.01 0.00 -0.01 0.01 0.00 -0.01 -0.01 -0.01 0.01 -0.00 0.00 0.00 -0.08 -0.02 0.07 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.01 0.06 -0.05 0.09 0.02 0.11 0.06 0.02 0.07 -0.20 -0.02 -0.19 -0.15 -0.01 -0.19 0.16 -0.00 0.16 0.09 0.01 0.16 -0.17 0.12 -0.08 0.05 -0.00 -0.02 0.03 -0.15 0.12 0.13 -0.02 0.10 0.04 -0.05 0.17 -0.11 0.06 0.06 -0.15 0.10 0.11 0.00 0.00 -0.01 -0.02 0.02 0.00 0.37 0.05 -0.15 0.18 0.26 -0.24 0.23 -0.07 -0.34 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.01 0.00 -0.00 0.00 -0.01 0.00 0.00 -0.01 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.01 0.03 0.01 0.04 -0.05 -0.01 -0.05 0.03 0.00 0.03 0.00 -0.02 0.00 0.00 -0.01 -0.01 -0.06 0.05 -0.09 -0.01 0.00 0.00 -0.01 0.00 0.00 -0.00 0.01 0.00 0.00 0.01 -0.01 -0.00 -0.00 0.00 0.01 -0.01 0.00 0.00 -0.00 0.00 0.01 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.01 0.02 -0.12 0.00 -0.13 -0.08 -0.00 -0.11 0.18 0.02 0.17 0.13 0.01 0.15 -0.08 -0.01 -0.09 -0.07 -0.00 -0.10 0.02 0.01 0.02 -0.05 0.03 -0.01 0.16 -0.43 0.28 0.38 -0.08 0.30 0.15 -0.09 0.47 0.02 -0.01 0.00 0.01 -0.02 -0.02 0.04 0.01 -0.04 -0.04 0.04 0.01 0.00 0.01 0.00 -0.00 -0.00 -0.00 -0.01 0.01 -0.01 0.01 -0.00 0.00 0.01 -0.00 -0.00 -0.00 -0.00 -0.01 -0.00 0.01 -0.01 0.01 -0.00 0.00 0.00 0.02 -0.02 -0.00 -0.00 -0.00 0.01 -0.02 -0.02 -0.02 0.05 -0.01 0.04 0.04 -0.04 -0.00 -0.00 0.01 -0.01 -0.00 0.02 -0.02 -0.08 0.04 -0.03 0.03 -0.00 -0.01 0.00 -0.01 0.00 0.00 0.00 0.00 -0.00 0.00 0.21 -0.02 -0.10 -0.00 0.00 0.00 0.01 -0.01 0.01 -0.00 -0.00 0.00 -0.06 -0.10 0.07 -0.09 0.11 0.01 -0.11 0.15 0.00 -0.08 -0.17 0.11 0.17 -0.05 -0.07 0.00 0.00 -0.00 0.01 -0.00 -0.00 -0.00 -0.00 0.00 -0.01 0.00 -0.00 0.00 0.00 0.00 -0.20 -0.40 0.24 0.03 -0.02 0.01 0.01 -0.01 0.04 -0.02 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 -0.00 0.00 -0.00 -0.00 -0.04 0.01 0.03 -0.07 0.10 0.03 -0.00 0.06 -0.11 0.00 0.00 -0.00 0.00 0.00 -0.00 0.17 0.19 -0.17 -0.35 0.50 -0.01 -0.00 -0.00 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 -0.03 -0.01 0.02 -0.01 0.02 -0.02 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -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 -0.05 -0.01 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.01 0.01 -0.00 -0.00 -0.00 0.00 -0.00 0.01 -0.01 0.01 0.01 0.00 0.01 0.06 0.01 -0.12 0.03 0.50 0.17 0.05 -0.43 0.13 0.69 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 0.01 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.01 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.01 0.00 0.00 0.01 0.00 -0.00 0.02 0.00 -0.01 -0.01 0.01 0.00 -0.01 -0.00 0.01 -0.00 -0.00 -0.00 -0.01 0.00 0.00 0.05 -0.01 0.01 -0.01 -0.00 0.00 -0.04 -0.00 0.06 -0.01 -0.02 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 -0.00 -0.01 0.00 0.00 -0.01 0.01 0.01 -0.02 -0.00 -0.02 -0.02 -0.00 -0.00 0.00 0.00 -0.00 0.01 -0.00 -0.01 -0.00 -0.05 -0.01 0.03 -0.02 0.01 0.01 -0.01 0.01 0.01 0.01 0.01 0.02 0.01 -0.01 -0.01 -0.15 0.03 0.02 0.01 0.00 0.00 -0.24 -0.16 -0.44 -0.10 0.38 -0.42 0.58 -0.09 0.02 -0.00 0.00 0.00 0.00 0.00 -0.01 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.01 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.01 0.03 -0.01 0.00 -0.02 0.00 0.00 0.03 -0.01 -0.01 0.02 -0.00 0.00 -0.02 -0.05 -0.00 -0.00 -0.00 0.00 -0.01 0.01 0.02 -0.01 -0.01 -0.01 -0.01 0.01 -0.02 -0.01 0.01 0.01 -0.01 -0.01 0.00 0.01 -0.00 0.00 0.01 0.01 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.01 -0.01 0.17 -0.21 -0.09 -0.11 -0.23 0.14 -0.13 0.20 0.08 0.12 0.20 -0.12 0.14 -0.24 -0.07 -0.15 -0.21 0.14 0.17 0.28 0.29 -0.23 -0.08 0.35 0.01 -0.04 0.02 -0.01 0.04 0.03 0.03 0.04 -0.00 -0.06 0.09 -0.13 0.07 0.14 0.02 0.06 0.01 -0.03 0.04 -0.03 -0.01 0.08 -0.14 -0.07 -0.09 -0.04 -0.17 -0.07 0.03 0.08 -0.01 0.00 -0.00 -0.00 0.00 0.00 -0.02 -0.01 -0.02 -0.01 0.02 -0.02 0.03 -0.00 0.00 0.01 -0.00 -0.00 -0.00 -0.01 0.02 -0.01 0.01 0.01 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.01 0.00 -0.03 0.01 0.00 -0.00 -0.00 0.01 -0.00 0.01 -0.06 0.01 -0.00 0.01 -0.01 0.00 0.02 -0.01 0.01 -0.04 0.01 0.00 -0.01 -0.03 0.00 0.01 0.01 0.00 -0.00 0.00 -0.04 0.01 0.02 0.03 0.01 -0.02 0.05 0.02 -0.03 -0.03 0.01 0.01 -0.00 -0.02 0.01 0.00 0.01 0.01 0.01 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.02 -0.03 0.03 -0.31 0.39 0.18 0.20 0.43 -0.25 0.05 -0.09 -0.05 -0.03 -0.08 0.07 0.11 -0.16 -0.04 -0.09 -0.14 0.10 0.12 0.20 0.20 -0.15 -0.06 0.25 -0.01 0.07 -0.06 0.01 -0.09 -0.07 -0.06 -0.07 0.01 -0.03 0.04 -0.06 0.03 0.06 0.01 -0.15 -0.02 0.08 -0.08 0.06 0.02 0.06 -0.10 -0.05 -0.06 -0.02 -0.12 -0.05 0.02 0.05 0.01 -0.00 0.00 0.01 -0.00 -0.00 0.01 0.01 0.02 0.01 -0.02 0.02 -0.04 0.01 -0.00 -0.02 0.01 0.01 0.01 0.02 -0.04 0.02 -0.02 -0.02 -0.00 0.01 -0.00 0.01 0.01 -0.01 0.00 -0.00 -0.00 -0.02 -0.00 0.07 -0.02 -0.01 0.01 0.01 -0.04 0.01 0.01 -0.04 0.00 -0.00 0.02 -0.00 -0.00 0.00 -0.00 -0.03 0.10 -0.02 0.00 -0.00 -0.01 0.02 -0.01 -0.03 0.00 0.00 -0.00 0.10 -0.03 -0.03 -0.06 -0.03 0.04 -0.10 -0.04 0.07 0.06 -0.05 -0.01 0.01 0.06 -0.03 -0.00 0.00 0.00 -0.02 0.01 0.00 0.01 -0.00 -0.00 0.01 -0.00 0.00 -0.01 0.00 0.01 0.09 0.13 -0.07 -0.20 0.26 0.13 0.14 0.29 -0.15 0.08 -0.13 -0.06 -0.06 -0.12 0.08 0.01 0.00 0.01 0.00 -0.00 0.01 0.03 0.06 0.06 -0.04 -0.02 0.08 -0.31 -0.05 0.29 0.10 0.21 0.28 -0.12 -0.02 -0.22 -0.00 -0.00 0.01 -0.00 -0.01 -0.00 0.32 0.05 -0.19 0.19 -0.12 -0.05 0.01 -0.01 -0.01 -0.00 0.00 -0.02 0.00 -0.00 0.00 -0.02 0.00 -0.00 -0.02 0.00 0.00 -0.03 -0.02 -0.05 -0.02 0.04 -0.04 0.07 -0.02 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -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 0.02 0.00 0.00 -0.00 -0.03 -0.02 0.02 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.02 0.02 -0.02 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.01 0.01 0.00 -0.00 0.02 -0.02 0.00 0.01 0.02 0.03 0.01 0.02 0.02 -0.05 -0.03 -0.04 -0.04 0.03 -0.05 -0.08 -0.07 0.04 0.05 -0.11 -0.01 0.00 0.01 0.01 0.00 0.01 -0.01 -0.00 -0.00 -0.07 0.15 -0.28 0.19 0.28 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.27 -0.35 0.02 0.31 0.28 0.02 0.39 -0.37 0.28 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 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.01 -0.00 0.00 0.02 0.01 -0.00 -0.05 -0.00 0.00 -0.00 0.00 0.01 -0.02 -0.05 -0.00 -0.00 0.00 -0.00 -0.01 -0.01 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.01 -0.01 -0.01 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.01 -0.00 -0.00 0.05 -0.06 -0.02 -0.04 -0.06 0.03 0.06 -0.15 -0.10 -0.07 -0.14 0.10 -0.18 0.36 0.14 0.21 0.29 -0.23 0.15 0.29 0.27 -0.22 -0.10 0.35 0.05 -0.01 -0.04 -0.03 -0.01 -0.03 0.04 0.02 0.03 -0.07 0.05 -0.03 0.05 0.07 -0.01 -0.01 -0.00 0.00 -0.00 0.00 0.00 -0.11 0.14 0.09 0.17 0.10 0.20 0.16 -0.08 -0.11 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.01 0.00 0.00 0.00 -0.01 0.00 -0.00 -0.00 -0.00 -0.01 0.00 0.00 0.00 0.01 -0.02 0.01 -0.01 -0.01 -0.00 0.01 -0.00 0.01 0.01 -0.01 0.00 -0.00 -0.00 -0.01 0.00 0.03 -0.01 -0.02 0.01 -0.02 -0.03 0.03 0.00 -0.01 -0.00 0.00 0.01 -0.00 -0.00 0.01 -0.00 -0.00 0.04 -0.01 -0.00 0.00 0.00 -0.04 0.00 0.02 0.00 0.00 0.00 0.03 -0.01 -0.01 -0.02 -0.00 0.01 -0.04 -0.01 0.03 0.02 -0.03 0.00 0.01 0.02 -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 0.02 0.14 -0.10 -0.02 0.10 0.09 0.02 0.07 -0.07 0.03 -0.05 -0.04 -0.03 -0.06 0.04 0.02 -0.03 -0.01 -0.02 -0.03 0.03 -0.01 -0.01 -0.01 0.01 0.00 -0.02 0.54 -0.07 -0.36 -0.24 -0.12 -0.35 0.33 0.18 0.33 0.01 -0.00 0.00 -0.00 -0.01 -0.00 0.12 0.03 -0.08 0.06 -0.03 -0.02 0.02 -0.06 -0.03 -0.03 -0.01 -0.06 -0.02 0.00 0.04 -0.00 0.00 -0.00 -0.01 0.00 0.00 -0.01 -0.00 -0.01 -0.00 0.01 -0.01 0.02 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.01 -0.00 -0.00 -0.02 0.00 0.00 0.03 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.01 -0.00 0.00 0.00 -0.00 0.02 -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 -0.02 -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 0.01 -0.01 -0.03 0.04 0.03 0.03 0.04 -0.02 -0.08 0.13 0.06 0.06 0.13 -0.10 0.14 -0.24 -0.08 -0.14 -0.20 0.14 0.05 0.05 0.06 -0.06 -0.01 0.08 0.03 -0.00 -0.02 -0.01 -0.01 -0.02 0.01 0.00 0.02 0.09 -0.19 0.28 -0.13 -0.27 -0.06 0.01 0.00 -0.01 0.00 -0.00 -0.00 -0.25 0.29 0.18 0.27 0.13 0.41 0.24 -0.13 -0.15 0.00 -0.00 -0.00 0.00 0.00 0.00 0.01 0.01 0.01 0.01 -0.01 0.01 -0.01 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.01 -0.00 -0.01 0.00 -0.00 -0.00 0.01 0.00 -0.02 -0.00 0.00 -0.05 0.00 0.00 -0.01 0.00 -0.00 0.01 -0.00 -0.00 0.00 0.01 -0.00 0.00 0.00 0.00 -0.06 0.02 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.01 -0.00 0.00 0.00 -0.01 0.00 0.00 0.00 -0.00 0.01 -0.03 -0.01 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.01 0.02 -0.01 -0.10 0.13 0.07 0.07 0.14 -0.08 -0.18 0.29 0.15 0.17 0.28 -0.18 -0.05 0.08 0.01 0.05 0.06 -0.04 -0.03 -0.07 -0.04 0.03 0.03 -0.07 0.02 0.02 -0.03 0.01 -0.05 -0.04 -0.02 -0.04 0.04 -0.17 0.22 -0.30 0.16 0.37 0.08 0.02 0.00 -0.02 0.01 -0.00 -0.00 0.00 0.35 0.10 -0.02 -0.09 0.23 -0.09 0.13 -0.23 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.01 0.01 -0.01 0.01 0.01 0.00 -0.01 0.00 -0.01 -0.01 0.01 -0.00 0.00 0.00 0.01 -0.00 -0.02 0.01 0.01 -0.01 -0.01 -0.02 -0.01 0.00 0.01 0.00 -0.00 0.02 -0.00 -0.00 0.02 -0.01 0.01 -0.01 0.00 -0.00 0.00 0.01 -0.01 -0.04 -0.01 0.00 -0.02 0.00 -0.02 0.00 0.01 0.01 -0.00 -0.00 0.03 0.00 -0.01 -0.01 0.01 -0.00 -0.01 -0.00 0.01 0.00 -0.01 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.03 -0.00 0.03 0.01 0.01 0.01 -0.01 0.00 -0.00 0.09 -0.13 -0.06 -0.06 -0.13 0.10 0.07 -0.11 -0.04 -0.06 -0.09 0.08 -0.00 -0.03 -0.01 0.01 0.01 -0.02 0.10 -0.25 0.15 -0.23 0.47 0.21 0.33 0.46 -0.22 -0.06 0.07 -0.10 0.05 0.13 0.03 -0.11 -0.02 0.08 -0.02 0.00 0.01 -0.01 0.15 0.05 0.00 -0.03 0.11 -0.03 0.05 -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 -0.01 0.00 0.00 -0.00 -0.01 -0.01 -0.00 0.00 -0.02 -0.00 0.00 -0.05 0.01 0.00 -0.04 0.01 0.00 -0.00 0.00 0.00 -0.01 -0.01 -0.01 -0.02 -0.00 -0.00 0.03 -0.01 -0.01 0.00 0.00 0.00 0.00 -0.00 0.01 -0.00 -0.01 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 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 0.03 0.01 0.01 -0.09 0.13 0.07 0.07 0.13 -0.07 -0.20 0.32 0.16 0.16 0.31 -0.23 -0.14 0.24 0.08 0.13 0.19 -0.16 0.00 0.05 0.02 -0.02 -0.02 0.03 0.05 -0.12 0.06 -0.12 0.22 0.09 0.16 0.22 -0.10 0.11 -0.12 0.17 -0.09 -0.21 -0.05 -0.05 -0.01 0.03 -0.00 0.00 0.00 0.02 -0.25 -0.08 -0.00 0.05 -0.17 0.04 -0.08 0.16 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.01 -0.01 0.01 0.01 -0.03 0.04 -0.04 -0.05 0.07 -0.29 0.07 -0.16 -0.20 0.15 -0.00 -0.00 0.01 -0.06 0.02 0.10 0.11 0.61 -0.27 -0.02 -0.02 0.03 -0.00 -0.01 -0.01 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.05 0.13 -0.07 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.03 -0.18 0.09 -0.08 -0.01 0.05 -0.02 0.11 -0.03 -0.03 -0.02 0.02 0.12 -0.10 -0.02 0.00 -0.00 -0.00 0.00 0.00 -0.01 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.06 -0.05 -0.01 0.05 0.06 0.02 0.04 -0.02 -0.01 0.02 0.01 0.01 0.02 -0.01 -0.01 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.03 0.03 -0.06 -0.01 -0.07 -0.07 -0.01 -0.06 0.07 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.22 0.08 -0.15 -0.20 0.24 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.02 -0.02 -0.00 0.08 0.10 -0.24 0.15 -0.13 -0.20 -0.00 0.01 -0.00 0.02 0.02 -0.02 -0.00 -0.00 -0.00 -0.30 0.04 0.54 -0.02 -0.05 0.03 0.01 0.02 -0.02 0.00 0.01 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.07 -0.09 0.08 0.00 -0.00 0.00 0.00 -0.01 -0.00 0.00 0.00 -0.00 -0.08 0.10 -0.00 0.17 0.03 -0.10 0.09 0.01 -0.07 -0.09 0.03 0.03 0.01 -0.07 0.02 -0.00 -0.00 -0.00 0.02 -0.00 0.00 0.00 -0.00 0.00 -0.02 0.00 -0.00 0.00 -0.00 -0.00 0.01 -0.01 0.03 0.00 -0.03 -0.04 -0.02 -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 -0.02 -0.03 0.04 -0.02 0.09 0.06 0.04 0.08 -0.07 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.44 -0.10 0.28 -0.16 0.08 0.04 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.01 0.03 -0.01 -0.00 0.01 0.01 0.02 0.01 -0.01 0.01 -0.03 0.01 0.00 -0.01 -0.00 0.00 0.01 0.01 -0.04 0.00 0.01 -0.00 -0.01 -0.00 0.01 -0.03 -0.04 0.03 -0.00 0.00 0.00 -0.03 -0.02 0.05 0.05 0.08 -0.06 -0.02 0.03 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.22 -0.21 -0.03 -0.00 0.00 -0.00 0.00 0.01 0.00 -0.00 0.00 0.00 -0.09 0.19 -0.03 -0.17 0.11 0.05 0.18 -0.13 -0.05 0.09 -0.30 0.07 -0.27 0.32 0.02 -0.00 -0.00 -0.00 0.03 -0.01 -0.00 0.02 -0.00 0.01 -0.03 0.01 -0.01 0.01 -0.00 -0.00 -0.12 -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 0.01 0.01 -0.01 0.00 -0.03 -0.03 -0.02 -0.04 0.04 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.20 0.21 -0.19 0.37 -0.33 -0.07 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.02 0.00 0.02 0.04 -0.01 -0.01 0.02 0.00 0.01 0.01 -0.01 0.01 -0.03 0.01 0.00 -0.01 0.02 -0.01 0.01 -0.00 -0.02 0.03 -0.01 -0.03 -0.01 0.06 -0.02 -0.00 0.02 -0.01 -0.01 -0.00 0.03 -0.07 0.01 0.08 0.01 -0.13 0.04 -0.02 -0.02 0.02 -0.01 -0.01 -0.01 0.00 0.00 -0.00 0.00 -0.00 0.00 0.16 0.12 -0.13 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.14 -0.21 0.15 -0.30 -0.15 0.22 0.27 0.09 -0.19 0.14 0.31 -0.19 -0.13 -0.09 0.10 -0.00 -0.00 -0.00 0.04 -0.00 -0.04 0.01 -0.00 0.01 -0.02 0.01 -0.01 0.01 -0.00 -0.00 -0.03 0.01 -0.02 0.01 0.03 0.05 0.02 0.02 -0.00 -0.00 0.01 0.01 0.00 0.01 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.01 0.02 -0.02 -0.03 -0.01 -0.04 0.00 -0.02 0.02 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.47 0.00 -0.25 -0.08 -0.18 0.11 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.02 0.01 0.02 0.03 -0.01 -0.01 0.01 0.00 0.00 0.01 -0.01 0.00 -0.02 0.00 0.00 0.01 -0.01 0.01 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.02 -0.00 0.08 -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 0.01 -0.01 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.02 0.01 -0.00 -0.01 0.00 0.00 0.01 -0.00 -0.01 0.00 -0.01 0.00 -0.01 0.01 0.00 0.00 0.00 0.00 0.09 -0.01 -0.12 -0.39 0.11 -0.11 0.40 -0.11 0.13 -0.07 0.01 0.01 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.01 0.00 0.00 0.01 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 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 0.36 -0.06 -0.18 -0.49 0.09 0.15 -0.17 -0.05 -0.10 -0.13 0.15 -0.07 0.26 -0.06 -0.00 0.06 -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 0.09 0.04 -0.45 -0.00 -0.00 0.01 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.03 -0.01 -0.02 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.05 -0.01 0.05 -0.03 -0.01 0.02 0.03 0.01 -0.02 0.01 0.02 -0.01 -0.01 -0.00 0.00 -0.00 0.00 0.00 -0.23 -0.04 0.70 -0.08 0.04 -0.13 0.16 -0.05 0.06 -0.03 0.01 -0.01 -0.01 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.01 -0.01 0.00 0.00 -0.00 0.01 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.01 -0.01 -0.00 0.01 -0.00 -0.00 -0.00 0.04 0.01 -0.02 0.00 -0.01 0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.01 0.29 -0.05 -0.18 -0.15 0.02 0.09 -0.08 -0.00 0.03 -0.07 0.03 0.03 0.06 -0.01 -0.01 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.01 -0.00 -0.01 0.03 0.00 -0.00 0.00 -0.00 0.00 -0.02 -0.05 0.00 0.00 0.00 0.01 -0.01 0.01 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.01 0.01 -0.01 -0.01 0.01 0.01 0.04 0.04 -0.04 -0.06 0.06 0.05 -0.13 -0.09 0.12 0.26 -0.28 -0.17 -0.36 -0.20 0.36 0.36 0.47 0.29 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.01 -0.10 0.06 -0.17 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.01 -0.00 0.02 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.02 0.06 0.00 0.00 -0.01 -0.00 -0.00 -0.03 0.01 -0.00 -0.00 0.00 0.01 0.00 -0.01 0.00 -0.00 0.00 0.00 -0.01 0.01 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -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 -0.28 -0.31 0.30 0.47 -0.35 -0.32 0.03 0.02 -0.03 -0.06 0.06 0.05 0.20 0.15 -0.20 -0.19 0.19 0.12 -0.13 -0.07 0.14 0.04 0.05 0.03 -0.01 -0.02 -0.02 0.03 0.02 -0.02 -0.02 0.02 0.01 0.03 0.04 0.02 -0.06 0.04 -0.10 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.03 -0.01 0.05 -0.02 0.02 0.00 -0.03 -0.04 -0.01 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 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 0.03 -0.00 -0.00 -0.04 0.01 0.00 0.00 -0.00 0.01 0.00 -0.02 -0.00 0.00 -0.00 0.00 -0.01 0.01 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.01 -0.01 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.01 -0.01 -0.01 0.15 0.16 -0.15 -0.24 0.18 0.16 -0.16 -0.17 0.18 0.17 -0.16 -0.13 0.31 0.23 -0.30 -0.26 0.27 0.17 -0.22 -0.12 0.23 0.06 0.06 0.04 0.01 0.02 0.02 -0.02 -0.01 0.02 0.02 -0.02 -0.01 0.07 0.09 0.05 -0.12 0.08 -0.22 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.05 -0.03 0.10 -0.04 0.04 0.01 -0.05 -0.08 -0.03 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.01 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.01 -0.01 0.02 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.04 -0.02 0.02 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 -0.01 0.01 0.02 -0.02 -0.01 -0.05 -0.05 0.05 0.06 -0.06 -0.05 -0.01 -0.01 0.01 -0.03 0.04 0.02 -0.00 0.00 0.00 -0.02 -0.03 -0.02 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.05 0.07 0.04 -0.15 0.10 -0.26 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.20 0.10 -0.37 0.32 -0.40 -0.08 0.34 0.51 0.20 0.00 -0.00 0.00 0.00 -0.00 0.00 -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 -0.01 0.02 0.00 0.00 0.06 -0.01 -0.00 0.02 -0.00 0.00 -0.00 0.00 -0.01 -0.01 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.01 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -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 -0.06 -0.07 0.07 0.18 -0.14 -0.12 -0.39 -0.40 0.44 0.35 -0.31 -0.27 -0.11 -0.08 0.10 0.15 -0.16 -0.10 0.06 0.03 -0.06 0.03 0.05 0.03 -0.00 -0.01 -0.00 0.01 0.01 -0.01 -0.01 0.01 0.00 -0.01 -0.01 -0.01 0.06 -0.04 0.10 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.01 -0.00 0.02 -0.03 0.04 0.01 -0.03 -0.05 -0.02 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.01 -0.04 0.01 0.03 0.03 0.02 -0.00 0.00 -0.03 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 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 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.01 -0.01 -0.01 -0.02 -0.02 0.03 0.02 -0.02 -0.01 -0.00 -0.00 0.00 0.01 -0.01 -0.01 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.01 -0.01 0.02 0.00 0.00 -0.00 0.00 0.00 -0.00 0.01 -0.00 0.01 -0.01 0.01 0.00 -0.01 -0.02 -0.01 0.00 0.00 -0.01 0.00 -0.00 0.01 -0.20 0.61 -0.12 -0.41 -0.39 -0.26 0.02 -0.07 0.42 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 0.00 -0.00 -0.01 -0.02 -0.02 -0.00 0.00 -0.00 -0.01 0.04 -0.04 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.01 -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 0.02 0.02 -0.02 -0.03 0.02 0.02 -0.01 -0.01 0.01 0.01 -0.01 -0.00 0.11 0.08 -0.11 -0.17 0.18 0.10 -0.04 -0.02 0.04 0.21 0.28 0.18 0.01 0.01 0.01 -0.01 -0.01 0.01 0.01 -0.01 -0.01 -0.22 -0.30 -0.15 0.33 -0.21 0.56 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.09 0.04 -0.18 0.04 -0.05 -0.01 0.12 0.17 0.07 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.01 0.00 -0.01 -0.02 0.00 0.02 0.05 -0.01 -0.04 -0.00 -0.00 -0.00 -0.04 -0.04 0.00 0.00 -0.00 0.00 0.01 -0.01 0.02 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 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 -0.06 -0.07 0.06 -0.05 0.04 0.03 0.09 0.10 -0.11 0.16 -0.16 -0.12 -0.26 -0.21 0.26 -0.31 0.35 0.19 0.25 0.13 -0.27 0.24 0.32 0.21 -0.00 -0.01 -0.00 0.01 0.01 -0.01 -0.01 0.01 0.00 -0.01 -0.01 -0.00 -0.13 0.09 -0.22 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.04 -0.02 0.07 -0.04 0.04 0.01 -0.04 -0.06 -0.03 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -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 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.01 0.01 0.01 -0.00 -0.00 0.00 0.06 -0.05 -0.04 -0.00 -0.01 0.00 -0.02 0.02 0.02 -0.01 -0.01 0.01 0.00 -0.00 -0.00 0.02 0.01 -0.02 0.01 0.01 0.00 0.27 0.38 0.34 -0.36 -0.29 0.30 0.39 -0.37 -0.24 0.00 0.00 0.00 -0.01 0.01 -0.03 -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 -0.01 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.03 0.01 -0.03 -0.03 0.01 0.03 0.02 0.01 -0.02 -0.00 -0.00 0.00 0.04 0.03 -0.02 -0.00 0.00 -0.00 -0.01 -0.00 -0.02 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.01 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.05 -0.04 -0.03 -0.24 -0.28 0.25 -0.18 0.15 0.12 0.15 0.16 -0.17 0.27 -0.26 -0.21 -0.16 -0.13 0.16 -0.05 0.06 0.03 -0.30 -0.16 0.31 -0.15 -0.20 -0.14 0.02 0.03 0.03 -0.02 -0.01 0.02 0.03 -0.03 -0.02 0.07 0.11 0.04 0.11 -0.08 0.19 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.03 0.02 -0.06 0.01 -0.00 0.00 -0.01 -0.02 -0.01 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 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 -0.05 -0.01 0.04 0.00 -0.00 -0.00 0.04 -0.00 -0.03 0.00 0.00 -0.00 0.03 0.02 -0.01 0.00 0.00 0.00 -0.01 -0.00 -0.01 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.01 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.10 0.08 0.06 0.30 0.36 -0.32 0.28 -0.23 -0.19 -0.01 -0.02 0.01 -0.04 0.04 0.03 -0.27 -0.22 0.27 -0.20 0.23 0.12 -0.22 -0.12 0.23 -0.09 -0.12 -0.08 -0.01 -0.02 -0.02 0.00 0.00 -0.00 -0.01 0.01 0.00 0.07 0.10 0.04 0.06 -0.04 0.10 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.03 0.02 -0.06 -0.00 0.00 0.00 -0.03 -0.04 -0.01 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.01 -0.00 0.01 -0.00 0.00 0.00 -0.02 -0.02 -0.00 0.00 -0.00 -0.00 -0.04 -0.04 -0.04 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.01 0.03 0.03 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.01 -0.01 -0.01 -0.00 -0.01 0.00 -0.02 0.01 0.01 0.00 0.00 -0.00 -0.05 0.04 0.03 0.07 0.05 -0.07 0.01 -0.02 -0.01 0.11 0.06 -0.11 0.12 0.17 0.11 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.39 0.56 0.25 0.12 -0.09 0.22 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.14 0.08 -0.28 0.16 -0.19 -0.03 -0.18 -0.27 -0.10 0.00 0.00 0.00 -0.00 -0.00 0.01 0.01 -0.02 0.00 -0.01 -0.01 -0.01 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.02 -0.01 -0.01 -0.03 -0.00 0.02 -0.05 0.00 0.05 -0.03 0.00 0.02 0.00 -0.00 -0.00 -0.01 -0.01 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -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 -0.18 0.14 0.11 0.16 0.19 -0.17 0.18 -0.14 -0.11 0.28 0.30 -0.32 0.36 -0.35 -0.27 0.19 0.15 -0.18 0.15 -0.17 -0.10 0.07 0.04 -0.08 0.03 0.04 0.03 -0.02 -0.02 -0.02 0.01 0.01 -0.01 0.03 -0.03 -0.02 0.00 0.01 0.00 0.00 -0.00 0.01 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.03 -0.01 0.05 0.01 -0.02 -0.01 0.02 0.03 0.01 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.01 0.00 -0.01 -0.01 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.02 -0.09 -0.01 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.01 0.00 -0.00 -0.00 0.01 0.00 -0.01 0.00 -0.00 -0.00 0.01 0.00 -0.01 0.00 0.01 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.02 0.03 0.01 0.00 -0.00 0.01 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.01 0.00 -0.02 -0.02 0.02 0.00 0.01 0.01 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.23 0.64 -0.13 0.49 0.42 0.30 -0.00 -0.01 -0.02 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.03 0.03 0.02 -0.01 0.00 0.01 -0.01 0.00 0.01 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.01 -0.00 0.00 0.02 -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 -0.05 -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 0.41 -0.31 -0.26 0.05 0.06 -0.06 0.08 -0.07 -0.06 0.03 0.03 -0.04 0.04 -0.04 -0.03 0.02 0.02 -0.02 0.01 -0.02 -0.01 0.03 0.01 -0.03 0.03 0.04 0.03 0.06 0.07 0.06 -0.10 -0.09 0.09 -0.17 0.16 0.10 0.17 0.25 0.11 0.04 -0.03 0.06 0.00 -0.01 0.00 -0.00 -0.00 0.00 0.03 -0.03 0.05 -0.31 0.36 0.08 0.23 0.32 0.13 0.00 0.00 0.00 -0.00 -0.00 0.01 0.01 -0.02 0.00 -0.01 -0.01 -0.01 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -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 -0.01 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 0.02 -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 -0.01 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 0.42 -0.32 -0.26 0.06 0.07 -0.06 0.09 -0.08 -0.06 0.04 0.04 -0.04 0.07 -0.07 -0.05 0.01 0.01 -0.01 0.01 -0.01 -0.01 -0.02 -0.01 0.02 -0.02 -0.04 -0.02 0.06 0.08 0.07 -0.11 -0.10 0.09 -0.18 0.17 0.11 -0.16 -0.23 -0.10 -0.03 0.02 -0.05 0.00 -0.01 0.00 -0.00 -0.00 0.00 -0.00 0.01 0.00 0.31 -0.36 -0.08 -0.21 -0.29 -0.11 -0.00 -0.00 0.00 0.00 0.00 -0.01 -0.01 0.02 -0.00 0.02 0.01 0.01 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.02 -0.01 -0.02 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.06 0.03 -0.06 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.02 0.01 0.01 -0.01 -0.01 0.01 -0.01 0.01 0.01 -0.02 -0.02 0.02 -0.04 0.03 0.03 -0.04 -0.03 0.03 -0.02 0.02 0.01 0.00 0.00 -0.00 0.02 0.03 0.02 -0.00 -0.00 -0.00 0.01 0.01 -0.01 0.01 -0.01 -0.01 0.12 0.17 0.08 0.10 -0.07 0.18 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.34 -0.18 0.69 0.27 -0.34 -0.09 0.12 0.21 0.07 0.00 0.00 -0.00 -0.00 -0.00 0.01 -0.00 0.01 -0.00 0.01 0.00 0.00 -0.00 0.00 -0.01 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -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 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 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 0.02 0.02 -0.02 0.01 -0.01 -0.01 0.00 0.01 -0.01 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.32 0.45 0.42 0.45 0.37 -0.40 -0.04 0.01 0.01 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -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 0.00 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 -0.04 0.04 0.06 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.34 -0.25 -0.21 0.03 0.04 -0.03 0.05 -0.04 -0.04 0.01 0.01 -0.01 0.02 -0.02 -0.01 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.19 -0.24 -0.21 0.23 0.20 -0.19 0.48 -0.44 -0.27 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.01 0.02 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.01 -0.02 0.02 -0.09 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.01 0.00 -0.01 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.01 0.02 -0.18 0.08 -0.27 0.04 0.20 0.19 0.11 0.02 -0.14 0.88 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 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 -0.08 -0.01 0.00 -0.01 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.01 -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 0.01 -0.09 -0.04 -0.12 0.97 0.02 -0.06 0.01 0.04 0.04 0.02 -0.00 -0.02 0.15 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.01 -0.09 0.00 -0.00 -0.01 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.01 -0.14 0.98 -0.00 -0.01 0.09 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.02 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.03 -0.08 0.02 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.02 0.02 0.02 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.32 0.92 -0.19 -0.01 -0.01 0.01 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.05 -0.05 0.05 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.01 -0.00 0.57 0.62 -0.53 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 8 8 8 8 8 8 7 7 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 1 298.150 1.00000 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 50 8 8 8 8 8 8 7 7 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 15.99491 15.99491 15.99491 15.99491 15.99491 15.99491 14.00307 14.00307 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 364.16344 0.99992 0.00611 0.01116 -0.0061 0.99998 -4.0E-5 -0.01116 -3.0E-5 0.99994 asymmetric 1 0.01270 0.00676 0.00540 0.26459 0.14078 0.11244 1064463.3 39.98 42.98 49.40 50.99 61.98 83.37 92.56 102.01 116.31 147.08 163.44 175.91 187.03 208.22 217.21 238.12 248.90 267.27 282.03 288.97 299.50 336.01 355.69 384.84 402.48 412.65 435.19 446.65 495.00 506.10 535.81 563.64 585.00 633.41 648.25 684.40 743.15 768.26 780.37 810.94 839.93 944.40 996.58 1029.56 1048.38 1064.50 1082.11 1104.09 1108.76 1143.11 1168.56 1175.40 1202.82 1220.59 1235.98 1278.97 1299.34 1325.95 1331.53 1358.18 1360.00 1362.87 1385.51 1393.19 1422.99 1436.35 1459.32 1500.40 1525.64 1548.73 1564.63 1583.12 1590.19 1593.70 1621.03 1643.23 1658.90 1664.85 1719.22 1733.25 1782.33 1805.28 1828.87 1851.81 1871.16 1898.55 1906.57 1916.01 1928.79 1938.63 1941.95 1943.62 1966.81 1983.46 1986.72 1993.68 2009.24 2010.66 2028.06 2029.60 2039.54 2080.98 2096.93 2105.52 2117.95 2121.17 2130.44 2132.82 2137.64 2142.81 2146.59 2154.13 2164.20 2166.27 2204.03 2231.07 2339.74 2356.68 2421.26 2528.85 4306.58 4318.93 4321.96 4332.60 4336.14 4337.59 4342.91 4347.57 4352.93 4360.02 4370.51 4393.68 4399.77 4404.08 4420.88 4421.26 4430.57 4449.67 4452.97 4470.19 4536.94 4588.89 4641.97 4655.05 0.405433 0.432349 0.433293 0.346262 -1261.053925 -1261.027008 -1261.026064 -1261.113095 271.303 98.454 183.172 0.000 0.000 0.000 0.889 2.981 43.570 0.889 2.981 35.594 269.526 92.492 104.007 1 0.593 1.984 5.982 2 0.594 1.984 5.838 3 0.594 1.983 5.562 4 0.594 1.982 5.499 5 0.595 1.980 5.112 6 0.596 1.974 4.526 7 0.597 1.971 4.320 8 0.598 1.968 4.128 9 0.600 1.962 3.870 10 0.604 1.947 3.411 11 0.607 1.938 3.207 12 0.610 1.931 3.064 13 0.612 1.923 2.946 14 0.616 1.908 2.740 15 0.618 1.902 2.660 16 0.624 1.885 2.486 17 0.627 1.876 2.403 18 0.632 1.859 2.270 19 0.636 1.845 2.170 20 0.638 1.839 2.125 21 0.641 1.828 2.060 22 0.654 1.790 1.852 23 0.661 1.767 1.750 24 0.673 1.733 1.612 25 0.680 1.711 1.535 26 0.684 1.698 1.493 27 0.694 1.669 1.403 28 0.699 1.654 1.360 29 0.723 1.587 1.193 30 0.728 1.572 1.158 31 0.744 1.529 1.070 32 0.759 1.488 0.993 33 0.771 1.456 0.939 34 0.800 1.382 0.826 35 0.809 1.360 0.794 36 0.832 1.304 0.722 37 0.872 1.213 0.618 38 0.889 1.175 0.578 39 0.897 1.156 0.560 40 0.919 1.110 0.517 41 0.941 1.066 0.478 0.164614e+28 27.216467 62.668232 0.449379e+12 11.652613 26.831134 0.100000e+01 0.000000 0.000000 0.273148e+09 8.436398 19.425525 0.134108e+08 7.127456 16.411573 ./ancestor::cml:module[@dictRef='cc:finalization']/cml:molecule[@id='mol9999'] -7.9215 -3.8810 5.3362 10.3096 -164.4047 -171.7913 -158.4171 -4.9084 6.1287 1.7470 0.4664 -6.9203 6.4539 -4.9084 6.1287 1.7470 -277.5179 -45.7980 11.5063 -34.1216 105.8667 67.3225 -7.1001 -8.5420 18.8311 -8.6358 -8991.5019 -4107.6587 -1552.2742 -17.8198 227.5339 -103.3619 9.2616 -53.0287 -1.5922 -1961.8050 -1658.6838 -922.3665 9.3006 8.2807 -31.4538 (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A) (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(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 -1261.4593572 3.83E-9 3.507E-6 0.4054326 0.4323489 -1261.0270084 -1261.0260642 -1261.113095 0.7018272,-5.537911,4.8360838,-3.934634,4.2016523,0.4053729 C01 [X(C18H24N2O6)] -3.0363732 -1.8283712 1.9721678 -3.1577084 0.833693 -0.0269679 1.0279596 -0.7002813 0.086167 -0.1834287 0.2064938 -0.7307604 -0.4416513 -0.0157905 0.2783665 -0.0705589 -1.1149784 0.565498 0.31477 0.4356159 -1.1856342 -0.7001203 0.3645144 0.4829841 0.3664491 -0.958282 -0.3969378 0.4390906 -0.1851283 -1.0956846 -0.9931889 0.5583123 0.1680261 0.5221561 -1.5811805 0.102911 0.205048 0.0558461 -0.4053794 -1.2822452 -0.3477069 0.5310382 -0.3611183 -1.0366698 0.351812 0.5938805 0.3621459 -0.6567656 -1.1485078 0.1112356 0.2552536 0.0886193 -0.5629871 0.1738875 0.1042531 0.2124876 -1.3694168 0.8879899 -0.5782625 -0.7370576 -0.4639175 2.3033957 -0.2231899 -0.7099473 -0.2927361 2.0467388 2.6396093 -0.4197944 -0.9554329 -0.3919149 2.355611 -0.3671533 -1.0816143 -0.3266456 0.8533089 0.0956333 0.0671788 -0.0448035 -0.0450087 0.0573941 -0.0061393 -0.1128792 -0.1344157 0.2145217 0.1882843 -0.0057522 -0.0833049 -0.0169663 0.1578981 0.0060039 0.0151154 0.1643883 0.0514102 0.1208862 -0.0155043 -0.0963537 -0.0144953 0.0654241 -0.0341531 -0.1101352 -0.0123777 0.0451637 0.1379816 0.0355079 -0.0822012 0.0723287 0.1558816 0.0226869 -0.0793502 -0.0016844 0.1282663 -0.4680375 0.5788021 -0.0715947 0.7099677 -0.0588456 -0.2315677 -0.0835272 -0.2221398 -0.0233844 0.1486735 0.0334714 0.0002319 0.0170936 0.1572227 0.0033726 0.0080023 0.0049657 0.143656 0.0279941 -0.1196354 0.0077523 -0.0232135 0.0558118 0.0377639 -0.0416008 0.0517677 0.0515494 0.1710499 0.019438 0.017047 0.0403112 0.0993094 -0.0051715 -0.0048968 -0.0159609 0.1617385 1.88026 -0.3539479 -0.2986934 -0.6290537 0.6335224 0.1054926 -0.6110812 -0.0651996 0.2641189 0.4025608 -0.3365018 -0.079922 0.2471045 -0.083245 -0.0826687 -0.3153988 0.1784362 0.0171897 -0.2150705 0.2518973 0.0864956 0.0658111 -0.4699111 0.1162728 0.2109605 -0.0071289 -0.0837988 -0.8025364 0.2718488 0.2754391 0.127196 -0.0961309 -0.0529642 0.3870566 -0.1039757 -0.0797478 0.1174548 -0.2414534 -0.0291436 -0.3636655 0.05593 0.1353908 -0.0201848 0.2200434 -0.0251762 0.0415413 0.0126153 0.0807018 0.0103671 0.1098061 0.030902 0.0947572 0.0277299 0.0526963 3.5534113 -0.7677463 -0.1327996 -0.9564415 0.8783905 -0.2471246 0.328078 -0.4133176 1.7407116 -1.6322986 0.2756174 0.2417433 0.3473018 -0.352612 -0.1526472 -0.078147 -0.0435424 0.012259 1.1887875 -0.2738044 -0.1186052 -0.3079618 -0.0286964 -0.0167181 0.1870539 -0.0881972 0.0872924 -0.4696271 0.1112894 0.0931925 0.1263567 0.0356709 -0.0329087 -0.0555416 0.0057609 0.0943903 -0.064294 0.0326819 0.0675477 0.0466834 -0.0046324 -0.0502521 0.067639 -0.0043556 -0.003016 -0.0344739 -0.1669406 0.0748167 -0.1107848 -0.1288072 0.1155722 0.0195372 0.074543 -0.0060232 -0.1148552 0.1200028 0.0643953 0.080566 -0.0021253 -0.055764 0.0609032 -0.0897592 -0.0299192 -0.0312328 -0.0961783 0.0350708 -0.0881193 -0.0840767 0.0887175 0.0662205 0.1223369 -0.0294784 -0.0550797 0.1067128 0.0587752 0.095318 -0.0535211 -0.0753098 0.0768065 -0.1139177 -0.0368574 -0.0515995 -0.1362887 0.0560758 -0.1186767 -0.0543814 0.0787084 0.0631164 0.1217191 -0.0770917 -0.0949772 0.1650378 0.0709186 0.1104129 -0.0860277 -0.0903187 0.0463217 -0.0961836 -0.0136915 -0.1010592 -0.0507476 0.1579551 -0.0378515 -0.0151968 0.1104268 0.1127977 0.0830491 -0.0840086 -0.0691698 -0.1018169 -0.1431152 -0.071642 -0.1081494 -0.1340703 -0.1154348 -0.1127587 -0.0599765 0.0054436 -0.0393695 -0.1263623 -0.0698527 -0.0191709 -0.1076404 -0.1157108 -0.073157 -0.058967 -0.0181234 -0.0907096 0.0784346 -0.08545 -0.05381 0.128628 0.0639693 0.1291163 -0.003512 -0.0419479 0.1208725 0.0361268 0.1112285 0.0159102 -0.0318757 0.1026793 -0.085056 -0.0092706 -0.0453664 -0.1122355 -0.0170479 -0.1063928 -0.0892728 -0.0824796 -0.007343 -0.0809742 -0.0017096 -0.0623689 0.095933 -0.1014598 0.0825735 0.0002223 0.1101561 -0.0878638 0.1175411 -0.1420889 0.1912502 0.0085667 -0.0165488 0.0208448 0.109669 0.0046669 -0.0030613 0.0136869 0.1762408 0.2038287 -0.0051908 -0.0113507 0.0138297 0.1741836 -0.0000174 0.023851 -0.0103888 0.1909642 0.0095562 0.0289269 -0.1091888 0.0217222 0.0560035 0.0868162 -0.0819038 0.0874585 -0.1396767 -0.0722855 0.1302251 0.0919344 0.1484284 -0.0690953 -0.0547091 0.0829082 -0.0371814 0.0410485 -0.019602 -0.1184848 -0.0224578 -0.1619069 -0.1078612 -0.0635549 -0.0629055 -0.1033356 0.0197498 0.0738205 0.0263411 0.0190568 0.0331908 0.1919134 0.05825 0.0160489 0.0507601 -0.0129679 0.0763017 0.0050323 0.0443235 0.0149704 0.1574714 0.0353201 0.0178489 0.0373951 -0.0328452 0.0311485 0.0590008 0.0142562 0.0707365 -0.0647157 0.0223714 0.1378239 0.011134 0.0932265 -0.0382541 -0.0580466 -0.0438241 -0.1243506 0.0683037 -0.0526238 0.0599085 -0.0967309 0.0301306 0.0322144 0.0271536 -0.0397239 -0.0001845 0.0897186 0.0701653 0.0555097 0.0418271 -0.1195233 427.5100665|-38.9549129|361.3530684|-44.2159927|-24.0581465|291.0319875 0.000010526 -0.000002368 -0.000000441 0.000002199 -0.000003033 -0.000007245 0.000001441 -0.000000438 -0.000008138 -0.000000038 0.000000027 0.000002190 -0.000000622 -0.000004452 -0.000001308 0.000000097 -0.000000404 0.000001241 -0.000005338 0.000001259 -0.000006108 0.000000276 -0.000003630 -0.000004691 -0.000002626 0.000001478 0.000001418 0.000000309 0.000000988 0.000004204 0.000000815 -0.000001617 0.000002232 -0.000001233 -0.000002558 0.000004416 0.000004179 0.000005011 -0.000001258 -0.000000106 -0.000003799 0.000002348 0.000000332 0.000004133 0.000005433 -0.000000832 -0.000002680 0.000001304 -0.000010061 0.000002467 0.000000301 0.000004116 0.000001217 -0.000002114 0.000007444 -0.000008117 -0.000004234 -0.000007320 -0.000002218 0.000003782 -0.000000390 0.000003890 -0.000004895 -0.000000464 -0.000001517 0.000003140 -0.000005204 0.000006644 -0.000011349 0.000000628 0.000001973 -0.000004012 0.000001941 -0.000000180 -0.000005472 -0.000000904 0.000003375 -0.000003180 0.000000606 0.000003335 0.000000511 0.000000269 0.000002474 0.000005066 -0.000001198 -0.000000486 0.000004290 -0.000000457 -0.000002407 0.000001354 -0.000000127 -0.000000481 0.000002193 -0.000000340 -0.000000908 0.000005811 -0.000001082 -0.000002723 0.000006210 -0.000001196 -0.000005269 0.000002565 -0.000000773 -0.000004351 0.000005305 -0.000000016 0.000005091 0.000001716 0.000000946 0.000005674 0.000004626 -0.000001140 0.000003598 0.000004469 -0.000001249 -0.000003223 0.000000644 0.000000009 -0.000004728 0.000001167 0.000000026 0.000000969 0.000001872 0.000000526 -0.000003026 -0.000005065 -0.000000068 0.000000439 0.000002713 0.000000022 -0.000001150 0.000001285 0.000000045 -0.000001141 0.000004252 0.000002095 0.000005420 -0.000002842 0.000000424 -0.000000294 -0.000003407 0.000001149 0.000001568 -0.000006008 0.000001399 0.000001617 -0.000002360 0.000000968 0.000004548 -0.000003927 340.2023999999997 AuxInfo=1/0/N:9;10;11;12;13;14;15;16;17;18;19;20;21;22;23;24;25;26;7;8;1;2;3;4;5;6;27;28;29;30;31;32;33;34;35;36;37;38;39;40;41;42;43;44;45;46;47;48;49;50/rA:50nO0O0O0O0O0O0N0N0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:-.471,.8027,1.2827;1.4208,3.4669,-1.0432;.5039,3.3617,.9159;4.8959,-1.6943,-.7509;5.1839,.343,-1.4203;-1.2943,1.5009,-.7167;1.1163,2.8652,-.0218;4.5259,-.5297,-.8631;.3842,-1.873,1.5932;-.3061,-2.7834,.5512;-1.2657,-2.0457,-.3851;-2.0587,-2.9803,-1.3023;1.2272,-.8082,.9084;-2.8902,-2.2442,-2.3656;1.2059,-2.6979,2.5951;-3.8573,-1.1786,-1.8239;.7604,.5073,.7579;2.4732,-1.1242,.3688;1.5481,1.4645,.097;3.2196,-.1601,-.2988;2.7771,1.144,-.4526;-4.8656,-1.7082,-.8009;-1.4891,1.2642,.4509;-2.7311,1.3669,1.2089;-3.8666,1.7513,.6095;-5.1883,1.8618,1.2809;-.4008,-1.3597,2.1516;-.8565,-3.5553,1.1019;.4628,-3.3035,-.0341;-.7086,-1.3277,-.9982;-1.9634,-1.4571,.2202;-2.7111,-3.6148,-.6903;-1.3656,-3.6611,-1.812;-2.2064,-1.7625,-3.0757;-3.4607,-2.9849,-2.9403;1.7208,-2.0542,3.3139;.5416,-3.3644,3.1519;1.9543,-3.3213,2.0976;-3.2862,-.3572,-1.3798;-4.4,-.7437,-2.6714;2.8629,-2.1289,.4513;3.366,1.8905,-.9653;-4.3736,-2.0502,.1146;-5.5824,-.9318,-.5162;-5.4346,-2.5525,-1.2064;-2.6933,1.0999,2.2584;-3.8315,2.0005,-.4486;-5.5659,2.8878,1.1974;-5.9204,1.224,.7721;-5.1454,1.5831,2.3357; Gaussian 16 17-Jun-2022 Gaussian 16 3-Jul-2019 EM64L-G16RevC.01 144 C1[X(C18H24N2O6)] RB3LYP 6-311+G(d,p) SP #P B3LYP 6-311+G(d,p) EmpiricalDispersion=gd3 scrf=(smd,Solvent=n-Octanol) geom=check guess=read output=wfx 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 340.2023999999997 AuxInfo=1/0/N:9;10;11;12;13;14;15;16;17;18;19;20;21;22;23;24;25;26;7;8;1;2;3;4;5;6;27;28;29;30;31;32;33;34;35;36;37;38;39;40;41;42;43;44;45;46;47;48;49;50/rA:50nO0O0O0O0O0O0N0N0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:-.471,.8027,1.2827;1.4208,3.4669,-1.0432;.5039,3.3617,.9159;4.8959,-1.6943,-.7509;5.1839,.343,-1.4203;-1.2943,1.5009,-.7167;1.1163,2.8652,-.0218;4.5259,-.5297,-.8631;.3842,-1.873,1.5932;-.3061,-2.7834,.5512;-1.2657,-2.0457,-.3851;-2.0587,-2.9803,-1.3023;1.2272,-.8082,.9084;-2.8902,-2.2442,-2.3656;1.2059,-2.6979,2.5951;-3.8573,-1.1786,-1.8239;.7604,.5073,.7579;2.4732,-1.1242,.3688;1.5481,1.4645,.097;3.2196,-.1601,-.2988;2.7771,1.144,-.4526;-4.8656,-1.7082,-.8009;-1.4891,1.2642,.4509;-2.7311,1.3669,1.2089;-3.8666,1.7513,.6095;-5.1883,1.8618,1.2809;-.4008,-1.3597,2.1516;-.8565,-3.5553,1.1019;.4628,-3.3035,-.0341;-.7086,-1.3277,-.9982;-1.9634,-1.4571,.2202;-2.7111,-3.6148,-.6903;-1.3656,-3.6611,-1.812;-2.2064,-1.7625,-3.0757;-3.4607,-2.9849,-2.9403;1.7208,-2.0542,3.3139;.5416,-3.3644,3.1519;1.9543,-3.3213,2.0976;-3.2862,-.3572,-1.3798;-4.4,-.7437,-2.6714;2.8629,-2.1289,.4513;3.366,1.8905,-.9653;-4.3736,-2.0502,.1146;-5.5824,-.9318,-.5162;-5.4346,-2.5525,-1.2064;-2.6933,1.0999,2.2584;-3.8315,2.0005,-.4486;-5.5659,2.8878,1.1974;-5.9204,1.224,.7721;-5.1454,1.5831,2.3357; oldchk=/home/apulgar/almacen/pesticidas/gaussian_results/C4-C8/meptyldinocap/oc #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 meptyldinocap CONF109 octanol Redundant internal coordinates found in file. (old form). 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 50 16 16 16 16 16 16 14 14 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 15.9949146 15.9949146 15.9949146 15.9949146 15.9949146 15.9949146 14.0030740 14.0030740 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 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 2 2 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 5.6000000 5.6000000 5.6000000 5.6000000 5.6000000 5.6000000 4.5500000 4.5500000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 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 742 A 716 A 716 1128 742 97 97 2487.1934201992 50 50 50 1.00e+00 60 F IExCor= 402 DFT=T Ex+Corr=B3LYP ExCW=0 ScaHFX= 0.200000 ScaDFX= 0.800000 0.720000 1.000000 0.810000 ScalE2= 1.000000 1.000000 IRadAn= 5 IRanWt= -1 IRanGd= 0 ICorTp=0 IEmpDi=131 Grimme-D3 -0.0610578252 PCM SMD-Coulomb. Total charges None On-the-fly selection n-Octanol 9.862900 2.043470 0.000000 4.010784 0.000000 2.762826 2.165608 0.000000 6.258941 6.228962 6.901567 0.000000 6.284533 4.905307 6.039317 2.163700 0.000000 2.272199 3.368013 3.059655 6.966259 6.618343 0.000000 2.911211 1.223867 1.225151 5.967093 4.986249 2.855714 0.000000 5.598949 5.064320 5.872370 1.227048 1.226898 6.165950 4.884529 0.000000 2.826152 6.044810 5.279687 5.087528 6.085195 4.419935 5.059154 4.999127 0.000000 3.663700 6.677643 6.208990 5.471983 6.618262 4.575957 5.853086 5.516056 1.546290 0.000000 3.395142 6.167655 5.836493 6.182486 6.955244 3.562212 5.470240 6.005759 2.581779 1.530280 0.000000 4.849178 7.330844 7.190875 7.093977 7.969549 4.583514 6.774261 7.039512 3.946822 2.558480 1.530838 0.000000 2.370435 4.703433 4.232147 4.122846 4.733216 3.785567 3.790950 3.754533 1.521061 2.525911 3.069115 4.516918 0.000000 5.333522 7.276722 7.329007 7.970778 8.531028 4.392209 6.903003 7.758555 5.150838 3.933974 2.569170 1.537513 5.452913 0.000000 4.097435 7.161600 6.327055 5.081276 6.418358 5.903315 6.148578 5.261356 1.536117 2.543813 3.926327 5.091860 2.533130 6.449234 0.000000 5.004421 7.074596 6.865977 8.833859 9.177296 3.869771 6.658638 8.463028 5.490800 4.563761 3.088450 2.598730 5.784067 1.537616 6.890026 0.000000 1.370773 3.526994 2.870315 4.921976 4.933459 2.717273 2.508927 4.228664 2.550452 3.465342 3.453908 4.935078 1.403867 5.536586 3.721138 5.552631 0.000000 3.635419 4.917234 4.929566 2.729182 3.563913 4.718360 4.231891 2.466624 2.534563 3.242024 3.923909 5.174525 1.394076 6.123499 3.006529 6.699743 2.397195 0.000000 2.433186 2.307744 2.315236 4.680308 4.096269 2.956713 1.470533 3.710283 3.838277 4.657156 4.524558 5.892640 2.434418 6.286247 4.866594 6.316200 1.404852 2.762440 0.000000 4.128991 4.116470 4.610221 2.316918 2.317217 4.827898 3.695042 1.470154 3.814871 4.475986 4.866307 6.068008 2.418001 6.778242 4.343952 7.310709 2.758558 1.390009 2.364367 0.000000 3.698324 2.753908 3.458101 3.554516 2.714951 4.095461 2.430267 2.455264 4.360484 5.092960 5.150071 6.412234 2.839956 6.874402 5.149541 7.161749 2.436759 2.431408 1.383924 1.385767 0.000000 5.473521 8.146186 7.581789 9.761684 10.275424 4.802107 7.570141 9.465353 5.772267 4.875827 3.639524 3.122250 6.391765 2.576370 7.026818 1.530850 6.244254 7.454363 7.211648 8.247393 8.165011 0.000000 1.393377 3.943610 2.930500 7.139075 6.991415 1.207219 3.094368 6.412907 3.828332 4.218180 3.421215 4.627563 3.447129 4.712187 5.249715 4.092761 2.393279 4.627230 3.064309 4.976260 4.362503 4.669396 0.000000 2.330708 5.169174 3.811870 8.448916 8.402930 2.406331 4.308417 7.781689 4.511093 4.851686 4.041606 5.065249 4.526598 5.083525 5.826261 4.116519 3.624011 5.830652 4.422379 6.325853 5.757665 4.248752 1.458627 0.000000 3.589383 5.799309 4.667860 9.513446 9.381694 2.904951 5.144840 8.820781 5.672081 5.765820 4.708673 5.414048 5.708571 5.076269 7.033441 3.808654 4.793693 6.965622 5.446467 7.395511 6.755437 3.867247 2.432065 1.340278 0.000000 4.834786 7.187414 5.897833 10.884231 10.825298 4.391437 6.515582 10.231427 6.715550 6.778398 5.781982 6.317726 6.958939 5.952942 7.962690 4.544824 6.123398 8.273265 6.851177 8.790742 8.183407 4.145270 3.837973 2.507556 1.486573 0.000000 2.331478 6.068000 4.963525 6.049147 6.844478 4.148261 4.987489 5.835165 1.091564 2.144122 2.766505 4.159836 2.121389 5.232993 2.137600 5.271111 2.603097 3.390256 3.999447 4.533288 4.811378 5.364064 3.310799 3.708560 4.905916 5.835739 0.000000 4.378781 7.687602 7.051967 6.323564 7.618770 5.391089 6.810137 6.479626 2.147300 1.096396 2.158079 2.748756 3.453462 4.228238 2.686758 4.818017 4.386021 4.187497 5.656024 5.486720 6.140310 4.806741 4.904241 5.268185 6.120695 6.938356 2.475958 0.000000 4.412178 6.911984 6.732750 4.770399 6.124415 5.160978 6.203309 4.989006 2.168116 1.097362 2.166302 2.840838 2.774828 4.219044 2.798534 5.136326 3.903601 2.992314 4.891791 4.189434 5.031126 5.614667 4.990957 5.793040 6.686505 7.768175 3.049862 1.759091 0.000000 3.130140 5.246390 5.208111 5.621977 6.139322 2.902225 4.675896 5.296695 2.864811 2.163816 1.096324 2.155557 2.766341 2.732932 4.295972 3.258580 2.934130 3.469030 3.753451 4.157318 4.307783 4.179038 3.070367 4.027748 4.694456 5.952726 3.164999 3.065097 2.491159 0.000000 2.909149 6.106988 5.458256 6.931819 7.550907 3.174170 5.312802 6.644133 2.751209 2.148361 1.095317 2.155759 3.327907 2.857415 4.150243 2.800506 3.401049 4.451574 4.569639 5.367983 5.448934 3.086832 2.771963 3.089012 3.750685 4.747641 2.486237 2.530781 3.059466 1.753837 0.000000 5.331585 8.206619 7.847815 7.845970 8.861649 5.308362 7.555595 7.869027 4.222445 2.831400 2.155079 1.096701 5.093498 2.171923 5.194023 2.921275 5.580359 5.848258 6.675336 6.874700 7.267965 2.879091 5.157587 5.331522 5.640918 6.325777 4.301111 2.579700 3.255901 3.055474 2.458425 0.000000 5.504873 7.691865 7.762538 6.648403 7.686544 5.277436 7.208192 6.739124 4.225442 2.734535 2.157653 1.097107 4.718336 2.153740 5.192592 3.517353 5.338532 5.091997 6.197261 5.964138 6.488401 4.133531 5.421738 6.022601 6.435311 7.394721 4.683746 2.959886 2.575197 2.557139 3.056959 1.752330 0.000000 5.346749 6.680914 7.038182 7.473461 7.860680 4.128719 6.463904 7.193004 5.340596 4.219979 2.864354 2.156417 5.345426 1.097228 6.684117 2.152562 5.352610 5.845574 5.880082 6.302408 6.337456 3.499845 4.702385 5.331599 5.355700 6.403687 5.545000 4.742225 4.330229 2.597745 3.318953 3.062050 2.430849 0.000000 6.412361 8.309896 8.418300 8.734556 9.386945 5.455274 7.980619 8.609781 6.047475 4.709888 3.497008 2.156123 6.444168 1.097451 7.245740 2.160152 6.609829 7.044403 7.355950 7.719023 7.883295 2.860159 5.782941 6.056906 5.932722 6.655341 6.158866 4.842140 4.892974 3.753926 3.816401 2.453823 2.473849 1.756674 0.000000 4.134223 7.039697 6.046791 5.170509 6.336656 6.162404 5.974425 5.257348 2.186365 3.503167 4.754128 6.037455 2.753705 7.318030 1.093627 7.634052 3.743873 3.178832 4.770776 4.345781 5.052876 7.773791 5.432527 5.996264 7.281152 8.197788 2.516855 3.713313 3.788454 5.002449 4.847745 6.173372 6.195352 7.505665 8.174891 0.000000 4.678063 8.064658 7.088126 6.081257 7.496754 6.481347 7.015070 6.326898 2.163043 2.796410 4.185210 5.171951 3.469580 6.593578 1.093413 6.991936 4.557279 4.061476 5.802086 5.417234 6.189992 6.899719 5.730923 6.072229 7.215753 7.977825 2.430611 2.488788 3.187587 4.789099 4.302085 5.040418 5.325977 6.992963 7.299189 1.770045 0.000000 4.853176 7.498581 6.939914 4.406199 6.019421 6.459606 6.592955 4.813652 2.194809 2.790989 4.261326 5.270564 2.873783 6.674474 1.093676 7.330994 4.228200 2.843487 5.203029 4.163727 5.207656 7.583786 5.966186 6.687473 7.863110 8.862709 3.065509 2.991125 2.601708 4.544186 4.727350 5.442797 5.140188 6.819386 7.403733 1.771830 1.763261 0.000000 4.044781 6.074054 5.784988 8.314517 8.499155 2.803637 5.622357 7.831102 4.960649 4.300757 2.814781 2.897157 5.080409 2.165461 6.438812 1.094553 4.657545 6.067692 5.373099 6.597992 6.314847 2.157473 3.034847 3.159442 2.956363 3.952401 4.669170 4.721187 4.954453 2.780542 2.349385 3.379052 3.845957 2.452909 3.061058 7.069706 6.650722 6.952736 0.000000 5.784794 7.366299 7.332896 9.539726 9.726128 4.301698 7.104515 9.109743 6.507734 5.595199 4.092245 3.515547 6.669704 2.150501 7.936124 1.096370 6.321015 7.525194 6.922394 8.001766 7.745762 2.155461 4.717398 4.721903 4.156170 4.799061 6.295583 5.890598 6.095484 4.094735 3.848062 3.875664 4.296266 2.452178 2.444912 8.660576 8.074619 8.352493 1.748740 0.000000 4.516619 5.968743 5.993924 2.401597 3.873056 5.641008 5.311803 2.655258 2.741036 3.237349 4.213246 5.293526 2.151382 6.406688 2.768589 7.158242 3.385760 1.080780 3.842754 2.136786 3.396521 7.840542 5.518415 6.639830 7.769613 9.024138 3.759547 4.036324 2.715867 3.936819 4.878271 5.880502 5.034889 6.186397 7.226557 3.082922 3.769355 2.226569 6.656045 8.026159 0.000000 4.578092 2.504951 3.727614 3.903523 2.430370 4.683087 2.627009 2.685798 5.440690 6.134268 6.105988 7.298316 3.920166 7.628637 6.196459 7.895131 3.416408 3.415421 2.148189 2.161209 1.080224 8.985376 5.096085 6.494307 7.403393 8.844359 5.870891 7.194430 6.022799 5.192297 6.404248 8.204583 7.343399 6.989229 8.618206 6.048108 7.248637 6.207830 7.033928 8.376153 4.291316 0.000000 4.973387 8.084226 7.329467 9.316690 9.971467 4.773239 7.370176 9.081242 4.985418 4.156126 3.147847 2.869084 5.791595 2.896445 6.140379 2.187169 5.771743 6.913851 6.886222 7.835848 7.852224 1.094117 4.406678 3.946138 3.866947 4.162638 4.517694 3.950943 4.998365 3.897790 2.484365 2.420720 3.918542 3.867494 3.322550 6.883128 5.925581 6.752055 2.506314 3.077256 7.244743 8.751959 0.000000 5.689612 8.286845 7.584740 10.508690 10.879185 4.934218 7.715879 10.122247 6.398098 5.692793 4.460065 4.151058 6.958178 3.520047 7.673423 2.178716 6.627669 8.106378 7.547326 8.838466 8.613610 1.094432 4.744765 4.048428 3.377867 3.344989 5.843737 5.642239 6.511675 4.913559 3.730351 3.933636 5.187485 4.317233 3.820096 8.322637 7.541677 8.327260 2.519587 2.465461 8.584392 9.393658 1.763491 0.000000 6.487759 9.124516 8.645683 10.376106 11.008280 5.814822 8.583084 10.169578 6.492884 5.426265 4.279129 3.404254 7.203823 2.812922 7.653070 2.180911 7.183243 8.188683 8.160436 9.024533 9.036806 1.095882 5.734180 5.338943 4.927347 5.072823 6.167502 5.224204 6.059458 4.886542 3.909511 2.968540 4.260549 3.813048 2.662584 8.478256 7.441087 8.130348 3.076451 2.547236 8.472009 9.861449 1.767208 1.767778 0.000000 2.445277 5.781835 4.140089 8.629083 8.726827 3.312057 4.778025 8.032235 4.330335 4.867641 4.349896 5.452507 4.564471 5.709931 5.453563 4.817868 3.812000 5.933848 4.774353 6.564315 6.105518 4.686586 2.178115 1.083660 2.126007 2.785826 3.364015 5.136370 5.882782 4.520863 3.350437 5.560942 6.403028 6.073160 6.655915 5.526952 5.585107 6.416639 3.963774 5.533077 6.675490 6.908908 4.164451 4.491453 5.732356 0.000000 3.965520 5.485542 4.744535 9.482165 9.217909 2.599860 5.040938 8.741871 6.078218 6.026124 4.791604 5.355412 5.943141 4.751679 7.530944 3.463954 4.977092 7.083866 5.433679 7.376265 6.663872 3.866290 2.614956 2.087899 1.087581 2.202584 5.460875 6.490075 6.837069 4.596877 3.986489 5.731103 6.324065 4.868533 5.585711 7.837417 7.801928 8.263147 2.592961 3.576963 7.916827 7.216866 4.125414 3.415908 4.886095 3.071535 0.000000 5.505712 7.360006 6.094746 11.586243 11.352828 4.882031 6.792565 10.852135 7.630499 7.761803 6.733166 7.278993 7.738857 6.796438 8.888811 5.346316 6.773641 9.022702 7.337906 9.418774 8.681491 5.060357 4.451184 3.216958 2.127124 1.096454 6.754916 7.981221 8.728892 6.795872 5.728059 7.348269 8.341896 7.153351 7.486036 9.055286 8.956070 9.793634 4.729592 5.432752 9.837021 9.243921 5.193993 4.186390 5.949165 3.545921 2.550411 0.000000 5.489468 7.887890 6.772113 11.306123 11.352883 4.867657 7.269033 10.717907 7.071971 6.901346 5.804845 6.073885 7.432130 5.572728 8.336020 4.094835 6.719149 8.725169 7.502738 9.306008 8.783611 3.490692 4.443035 3.222169 2.126553 1.096155 6.248505 6.970842 7.867205 6.066907 4.811483 5.987670 7.161556 6.125179 6.127512 8.694528 8.274933 9.188390 3.750935 4.247467 9.406894 9.470949 3.680365 2.534029 4.290991 3.555039 2.540893 1.753486 0.000000 4.854745 7.621089 6.090476 11.004449 11.060793 4.914827 6.812583 10.403399 6.562973 6.758003 5.968567 6.602128 6.954603 6.468117 7.663858 5.156401 6.206941 8.321170 7.058958 8.941673 8.410336 4.555193 4.125841 2.673069 2.154836 1.091767 5.586173 6.805890 7.806877 6.266833 4.882981 6.488555 7.680670 7.008139 7.179216 7.831490 7.582014 8.632257 4.585465 5.571436 9.025665 9.134290 4.327829 3.827410 5.452877 2.500441 3.106867 1.781698 1.781678 0.000000 C18H24N2O6 C1 1 C1 1 C1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 340.2023999999997 AuxInfo=1/0/N:9;10;11;12;13;14;15;16;17;18;19;20;21;22;23;24;25;26;7;8;1;2;3;4;5;6;27;28;29;30;31;32;33;34;35;36;37;38;39;40;41;42;43;44;45;46;47;48;49;50/rA:50nO0O0O0O0O0O0N0N0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:-.3766,1.0089,1.1754;1.6252,3.3601,-1.3841;.6766,3.4875,.5585;4.9461,-1.833,-.488;5.3023,.1135,-1.363;-1.1497,1.5136,-.9008;1.2884,2.8783,-.3107;4.6113,-.6773,-.7287;.3967,-1.641,1.7812;-.3038,-2.6376,.8288;-1.2279,-1.9776,-.197;-2.0336,-2.9822,-1.0245;1.2801,-.6777,1.0032;-2.8278,-2.3406,-2.1741;1.1795,-2.3772,2.8789;-3.7719,-1.198,-1.765;.8535,.6265,.7067;2.5243,-1.0825,.5221;1.678,1.4869,-.0373;3.3079,-.215,-.2299;2.9053,1.077,-.5281;-4.81,-1.589,-.7101;-1.3686,1.4071,.2816;-2.6183,1.6229,1.0023;-3.7333,1.9721,.3456;-5.0611,2.1886,.978;-.3815,-1.0505,2.2683;-.8844,-3.3318,1.4478;.4584,-3.2373,.3153;-.6414,-1.3437,-.8723;-1.9173,-1.3096,.3305;-2.713,-3.5306,-.3609;-1.3529,-3.7316,-1.4473;-2.12,-1.9553,-2.9188;-3.4107,-3.1222,-2.6777;1.7018,-1.6752,3.535;.4881,-2.9628,3.491;1.9169,-3.0696,2.4632;-3.1841,-.3499,-1.3998;-4.2892,-.8407,-2.6632;2.8837,-2.083,.717;3.5229,1.7489,-1.106;-4.3417,-1.8453,.245;-5.5084,-.7677,-.5216;-5.3969,-2.4558,-1.0345;-2.6038,1.4675,2.0746;-3.6753,2.1069,-.732;-5.4078,3.2098,.7802;-5.8035,1.5206,.5262;-5.0419,2.0221,2.0569; 0.2645891 0.1407816 0.1124364 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= 716 RedAO= T EigKep= 1.04D-06 NBF= 716 NBsUse= 713 1.00D-06 EigRej= 6.81D-07 NBFU= 713 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= 731 731 731 731 731 MxSgAt= 50 MxSgA2= 50. 1 Closed 1 1 1 -1261.45935722220 -1261.45935722 1 1.256379011520e+03 -7.917053662837e+03 2.912075566044e+03 Using DIIS extrapolation, IDIIS= 1040. NGot= 4246732800 LenX= 4245605578 LenY= 4245054272 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. PT1697.300S 2022-06-17T20:41:05.000 -19.20044 -19.18503 -19.18418 -19.18115 -19.18100 -19.13629 -14.57966 -14.57617 -10.32929 -10.28866 -10.26588 -10.25878 -10.22814 -10.21996 -10.21860 -10.20740 -10.18832 -10.18717 -10.17180 -10.16456 -10.15970 -10.15560 -10.15449 -10.15392 -10.15367 -10.14908 -1.26297 -1.25835 -1.14122 -1.08787 -1.08326 -1.05715 -0.92513 -0.85419 -0.84563 -0.82335 -0.80319 -0.78175 -0.75514 -0.74715 -0.73596 -0.71355 -0.69841 -0.66245 -0.65502 -0.64136 -0.61011 -0.60291 -0.59349 -0.57791 -0.56713 -0.56473 -0.56091 -0.55203 -0.54941 -0.54691 -0.53944 -0.53403 -0.51908 -0.51226 -0.48239 -0.47907 -0.46800 -0.45630 -0.45118 -0.44483 -0.43788 -0.43128 -0.42505 -0.42300 -0.41610 -0.41188 -0.40200 -0.39326 -0.38724 -0.37912 -0.37668 -0.37211 -0.36475 -0.36358 -0.35345 -0.34418 -0.34289 -0.34182 -0.34065 -0.33567 -0.33367 -0.32972 -0.32698 -0.32245 -0.31592 -0.31166 -0.30859 -0.30434 -0.29587 -0.28498 -0.27789 -0.12067 -0.11345 -0.06690 -0.03941 -0.01854 0.00341 0.01105 0.01432 0.01683 0.02588 0.02891 0.03426 0.03485 0.03570 0.04343 0.04852 0.05196 0.05346 0.05856 0.06403 0.06657 0.06924 0.07111 0.07456 0.07987 0.08173 0.08389 0.08691 0.08851 0.09030 0.09464 0.10012 0.10434 0.10658 0.10910 0.11043 0.11479 0.11650 0.12085 0.12281 0.12577 0.12695 0.13002 0.13326 0.13694 0.13864 0.14249 0.14506 0.15059 0.15196 0.15478 0.15973 0.16108 0.16357 0.16455 0.16985 0.17368 0.17502 0.17730 0.17798 0.18077 0.18504 0.18752 0.18861 0.19352 0.19364 0.19673 0.19796 0.19859 0.20091 0.20376 0.20635 0.21107 0.21129 0.21483 0.21824 0.22000 0.22157 0.22437 0.22962 0.22973 0.23132 0.23275 0.23329 0.23728 0.23958 0.24333 0.24446 0.24905 0.25006 0.25123 0.25253 0.25478 0.25855 0.26309 0.26470 0.26796 0.26878 0.27126 0.27335 0.27757 0.28140 0.28330 0.28588 0.28947 0.29374 0.29743 0.29776 0.30031 0.30296 0.30601 0.30748 0.31005 0.31592 0.31678 0.32033 0.32226 0.32566 0.32778 0.32903 0.33492 0.33809 0.34040 0.34501 0.34701 0.35415 0.35474 0.35974 0.36557 0.36866 0.37104 0.37865 0.38235 0.38772 0.38864 0.39476 0.39578 0.39951 0.40471 0.40866 0.41046 0.41620 0.41949 0.42445 0.43022 0.43257 0.44088 0.44458 0.44816 0.45289 0.45594 0.45828 0.46599 0.47076 0.47255 0.47854 0.48648 0.49011 0.49528 0.49784 0.50097 0.51318 0.52351 0.52503 0.52607 0.52931 0.53871 0.54674 0.55164 0.55965 0.56882 0.57661 0.57699 0.58559 0.58739 0.58896 0.59406 0.60788 0.61481 0.62446 0.63174 0.63639 0.63901 0.64227 0.64618 0.64957 0.65179 0.65611 0.66505 0.66737 0.67390 0.67525 0.68035 0.68238 0.68634 0.69323 0.70102 0.70221 0.70701 0.70914 0.71238 0.71594 0.71929 0.71974 0.72305 0.73391 0.73609 0.73925 0.74157 0.74810 0.75161 0.75734 0.75958 0.76292 0.76571 0.77421 0.78582 0.79044 0.79240 0.79815 0.80912 0.81597 0.82317 0.83047 0.83486 0.84050 0.84440 0.85151 0.85973 0.86492 0.86608 0.88555 0.88894 0.89571 0.90594 0.91105 0.91909 0.92329 0.93080 0.93883 0.94389 0.95041 0.96527 0.96571 0.97289 0.97952 0.98530 0.99393 1.00715 1.01080 1.01969 1.02914 1.03203 1.04063 1.04757 1.05614 1.05803 1.06515 1.07434 1.07988 1.08499 1.10208 1.10382 1.10894 1.11982 1.13136 1.13656 1.13898 1.16469 1.16616 1.17251 1.17928 1.18131 1.18880 1.19347 1.20393 1.21129 1.21510 1.22193 1.23222 1.24065 1.24355 1.25253 1.26645 1.27454 1.27921 1.28192 1.29213 1.29730 1.31369 1.33245 1.33702 1.35454 1.35938 1.37127 1.37528 1.39048 1.39943 1.40176 1.41908 1.42592 1.44138 1.45386 1.45946 1.47435 1.47825 1.48453 1.49201 1.49610 1.51306 1.52107 1.52743 1.53090 1.54204 1.54595 1.55774 1.56504 1.56691 1.56862 1.57604 1.57731 1.57943 1.58653 1.59678 1.60208 1.60456 1.61056 1.61771 1.62074 1.62384 1.63322 1.64129 1.64858 1.65095 1.65489 1.66572 1.66938 1.67719 1.68065 1.68914 1.69047 1.70012 1.70970 1.71650 1.72306 1.72633 1.73020 1.73627 1.74341 1.74880 1.75943 1.76040 1.76709 1.77284 1.77796 1.78098 1.79072 1.79313 1.80474 1.81071 1.82644 1.83361 1.83772 1.84602 1.85658 1.85968 1.86868 1.87329 1.87798 1.88666 1.89344 1.89910 1.91389 1.92516 1.94144 1.94606 1.96105 1.96867 1.97173 1.98778 2.00091 2.00319 2.00869 2.01656 2.02376 2.03528 2.04551 2.05558 2.07126 2.07565 2.09099 2.10929 2.11192 2.12083 2.12933 2.14647 2.16033 2.16127 2.17140 2.18029 2.20215 2.20914 2.21404 2.23640 2.23713 2.25245 2.26041 2.26348 2.27274 2.27657 2.28891 2.30189 2.31817 2.32421 2.33600 2.34462 2.35457 2.35925 2.37189 2.37768 2.38371 2.40302 2.41050 2.42903 2.43398 2.45105 2.45403 2.46464 2.47135 2.47613 2.49495 2.50412 2.52573 2.52875 2.53954 2.54149 2.54687 2.55655 2.56766 2.57288 2.57800 2.58634 2.58992 2.60043 2.60237 2.61876 2.62312 2.63855 2.64272 2.65027 2.65831 2.67332 2.67702 2.68414 2.69356 2.70736 2.71322 2.71784 2.72684 2.73685 2.73898 2.74482 2.75012 2.76173 2.76511 2.77503 2.77714 2.79839 2.80053 2.80614 2.81428 2.82248 2.83145 2.83674 2.83856 2.84383 2.85296 2.85799 2.86535 2.87492 2.87532 2.88667 2.88834 2.90034 2.90325 2.91729 2.92020 2.93289 2.93983 2.95060 2.95777 2.97627 2.97927 3.00384 3.01923 3.02391 3.03007 3.04074 3.07262 3.07902 3.08211 3.08968 3.09859 3.10872 3.11534 3.12972 3.18193 3.19662 3.20286 3.21502 3.22357 3.23732 3.27339 3.28126 3.29092 3.30173 3.31511 3.32966 3.35070 3.35512 3.35919 3.37971 3.39821 3.40404 3.45429 3.47953 3.50380 3.54170 3.56311 3.56748 3.59063 3.62752 3.64277 3.67916 3.70124 3.72661 3.76299 3.77808 3.78280 3.78692 3.79933 3.80467 3.81081 3.81504 3.82441 3.83951 3.84655 3.86311 3.86329 3.87112 3.88650 3.90311 3.92279 3.95037 4.05677 4.09159 4.11108 4.13186 4.14550 4.19129 4.21230 4.23377 4.27129 4.34925 4.38018 4.41426 4.42489 4.50617 4.53403 4.69354 4.73797 4.83663 4.97710 4.99937 5.03357 5.07927 5.08928 5.10413 5.14768 5.15857 5.16717 5.21297 5.30517 5.42361 5.67158 5.73806 5.76254 5.95696 6.23734 6.24742 23.54052 23.76215 23.84798 23.86529 23.88516 23.90830 23.91643 23.93222 23.93919 23.96142 23.96438 23.97955 23.98721 24.01240 24.01896 24.07078 24.14812 24.21970 35.38012 35.41056 49.87327 49.88111 49.96175 49.98253 49.98567 50.03328 1-A. Mulliken charges: 1 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 50 O O O O O O N N 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 0.102278 -0.023542 0.042896 -0.053659 -0.049861 -0.163549 -0.215500 -0.176520 0.237670 -0.406872 -0.186502 -0.396598 1.274636 -0.560832 -0.667185 -0.056715 0.173078 -0.837616 0.214713 -0.249969 -0.097138 -0.571584 -0.698791 -0.115931 0.257888 -0.776599 0.179098 0.160351 0.172514 0.186726 0.183086 0.160393 0.152591 0.153137 0.147243 0.160517 0.161797 0.168789 0.141756 0.137138 0.196171 0.210746 0.148345 0.142094 0.144091 0.176954 0.190668 0.184264 0.177706 0.165630 -0.00000 -7.9215 -3.8810 5.3361 10.3096 -164.4047 -171.7913 -158.4171 -4.9083 6.1287 1.7470 0.4664 -6.9203 6.4539 -4.9083 6.1287 1.7470 -277.5179 -45.7980 11.5062 -34.1216 105.8668 67.3224 -7.1001 -8.5420 18.8311 -8.6358 -8991.5015 -4107.6587 -1552.2742 -17.8194 227.5336 -103.3618 9.2615 -53.0287 -1.5922 -1961.8051 -1658.6837 -922.3665 9.3005 8.2807 -31.4538 (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A) (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(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-DEPAZ04 APULGAR 2022-06-17T00:00:00.000 0 Wavefunction meptyldinocapCONF109 octanol 0 1 Version=EM64L-G16RevC.01 State=1-A HF=-1261.4593572 RMSD=5.394e-09 Dipole=-3.036372,-1.8283697,1.9721653 Quadrupole=0.7018383,-5.5379181,4.8360797,-3.9346193,4.2016468,0.4053635 PG=C01 [X(C18H24N2O6)] 0 -0.4709567419 0.8027349702 1.2827027203 0 1.4208197823 3.4669369753 -1.0431508334 0 0.5038863996 3.3617132533 0.9159351983 0 4.8959413022 -1.6942755887 -0.750937081 0 5.1839204282 0.3430212654 -1.4203301545 0 -1.2942519302 1.5008923646 -0.7167100671 0 1.1163181896 2.8652269849 -0.0218405787 0 4.5258899125 -0.5297415309 -0.8630512291 0 0.3841727411 -1.8729866882 1.5931934544 0 -0.3060576213 -2.7834082033 0.5512111708 0 -1.2656965435 -2.0457370065 -0.3851065611 0 -2.058668435 -2.9803333108 -1.3022711007 0 1.2272447152 -0.8081500062 0.9083728712 0 -2.8901886142 -2.2441991057 -2.3655799219 0 1.2059474884 -2.6979160864 2.5951081196 0 -3.8573440836 -1.1786389256 -1.8238663713 0 0.7604305837 0.5072558515 0.7579217784 0 2.4732084309 -1.1241551664 0.3687780135 0 1.5480641345 1.4645318416 0.0969648722 0 3.2196111665 -0.1601304817 -0.2988033135 0 2.7770768161 1.1440364097 -0.4526327009 0 -4.865604592 -1.708248054 -0.800916402 0 -1.4891342482 1.2642225051 0.4509307158 0 -2.7311398213 1.3669325838 1.208864944 0 -3.8666459567 1.7512909822 0.6094991561 0 -5.1883309526 1.8617581396 1.2809493972 0 -0.4008091525 -1.3596509349 2.1515851262 0 -0.8565476443 -3.5552863015 1.1018909649 0 0.4627612563 -3.3035459904 -0.0340896491 0 -0.7086147712 -1.3276537146 -0.9982485398 0 -1.9634102342 -1.4571032487 0.2202242703 0 -2.7110989592 -3.6148240132 -0.6902997976 0 -1.3655995143 -3.6611462674 -1.8119702933 0 -2.2064113454 -1.7624532928 -3.075706462 0 -3.4607027083 -2.9848788213 -2.9403025934 0 1.7207749546 -2.0542468221 3.3139001911 0 0.541636294 -3.3643842562 3.1519404493 0 1.9542702482 -3.3212903667 2.0975690248 0 -3.2862402613 -0.3572475696 -1.3797914339 0 -4.3999953289 -0.7436675852 -2.671425887 0 2.8628576859 -2.1288683462 0.4512982808 0 3.3659719271 1.890514835 -0.9653280385 0 -4.3736281689 -2.050195396 0.1145738309 0 -5.5824205004 -0.931785068 -0.5162046587 0 -5.4345724755 -2.5525084782 -1.2064489762 0 -2.6933462701 1.0999128365 2.2584318172 0 -3.8315286952 2.0004893683 -0.4485646238 0 -5.5658794042 2.8877677255 1.1974484561 0 -5.9203655318 1.2240031432 0.7720780071 0 -5.1454349122 1.5831304014 2.3356914994 Gaussian 16 17-Jun-2022 Gaussian 16 3-Jul-2019 EM64L-G16RevC.01 144 C1[X(C18H24N2O6)] RB3LYP TD-FC 6-311+G(d,p) SP #P B3LYP 6-311+G(d,p) EmpiricalDispersion=gd3 scrf=(smd,Solvent=n-Octanol) geom=check guess=read td=(singlets,nstates=10) 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 340.2023999999997 AuxInfo=1/0/N:9;10;11;12;13;14;15;16;17;18;19;20;21;22;23;24;25;26;7;8;1;2;3;4;5;6;27;28;29;30;31;32;33;34;35;36;37;38;39;40;41;42;43;44;45;46;47;48;49;50/rA:50nO0O0O0O0O0O0N0N0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:-.471,.8027,1.2827;1.4208,3.4669,-1.0432;.5039,3.3617,.9159;4.8959,-1.6943,-.7509;5.1839,.343,-1.4203;-1.2943,1.5009,-.7167;1.1163,2.8652,-.0218;4.5259,-.5297,-.8631;.3842,-1.873,1.5932;-.3061,-2.7834,.5512;-1.2657,-2.0457,-.3851;-2.0587,-2.9803,-1.3023;1.2272,-.8082,.9084;-2.8902,-2.2442,-2.3656;1.2059,-2.6979,2.5951;-3.8573,-1.1786,-1.8239;.7604,.5073,.7579;2.4732,-1.1242,.3688;1.5481,1.4645,.097;3.2196,-.1601,-.2988;2.7771,1.144,-.4526;-4.8656,-1.7082,-.8009;-1.4891,1.2642,.4509;-2.7311,1.3669,1.2089;-3.8666,1.7513,.6095;-5.1883,1.8618,1.2809;-.4008,-1.3597,2.1516;-.8565,-3.5553,1.1019;.4628,-3.3035,-.0341;-.7086,-1.3277,-.9982;-1.9634,-1.4571,.2202;-2.7111,-3.6148,-.6903;-1.3656,-3.6611,-1.812;-2.2064,-1.7625,-3.0757;-3.4607,-2.9849,-2.9403;1.7208,-2.0542,3.3139;.5416,-3.3644,3.1519;1.9543,-3.3213,2.0976;-3.2862,-.3572,-1.3798;-4.4,-.7437,-2.6714;2.8629,-2.1289,.4513;3.366,1.8905,-.9653;-4.3736,-2.0502,.1146;-5.5824,-.9318,-.5162;-5.4346,-2.5525,-1.2064;-2.6933,1.0999,2.2584;-3.8315,2.0005,-.4486;-5.5659,2.8878,1.1974;-5.9204,1.224,.7721;-5.1454,1.5831,2.3357; oldchk=/home/apulgar/almacen/pesticidas/gaussian_results/C4-C8/meptyldinocap/oc #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 meptyldinocap CONF109 octanol Redundant internal coordinates found in file. (old form). 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 50 16 16 16 16 16 16 14 14 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 15.9949146 15.9949146 15.9949146 15.9949146 15.9949146 15.9949146 14.0030740 14.0030740 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 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 2 2 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 5.6000000 5.6000000 5.6000000 5.6000000 5.6000000 5.6000000 4.5500000 4.5500000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 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 742 A 716 A 716 1128 742 97 97 2487.1934201992 50 50 50 1.00e+00 60 F IExCor= 402 DFT=T Ex+Corr=B3LYP ExCW=0 ScaHFX= 0.200000 ScaDFX= 0.800000 0.720000 1.000000 0.810000 ScalE2= 1.000000 1.000000 IRadAn= 5 IRanWt= -1 IRanGd= 0 ICorTp=0 IEmpDi=131 Grimme-D3 -0.0610578252 PCM SMD-Coulomb. Total charges None On-the-fly selection n-Octanol 9.862900 2.043470 0.000000 4.010784 0.000000 2.762826 2.165608 0.000000 6.258941 6.228962 6.901567 0.000000 6.284533 4.905307 6.039317 2.163700 0.000000 2.272199 3.368013 3.059655 6.966259 6.618343 0.000000 2.911211 1.223867 1.225151 5.967093 4.986249 2.855714 0.000000 5.598949 5.064320 5.872370 1.227048 1.226898 6.165950 4.884529 0.000000 2.826152 6.044810 5.279687 5.087528 6.085195 4.419935 5.059154 4.999127 0.000000 3.663700 6.677643 6.208990 5.471983 6.618262 4.575957 5.853086 5.516056 1.546290 0.000000 3.395142 6.167655 5.836493 6.182486 6.955244 3.562212 5.470240 6.005759 2.581779 1.530280 0.000000 4.849178 7.330844 7.190875 7.093977 7.969549 4.583514 6.774261 7.039512 3.946822 2.558480 1.530838 0.000000 2.370435 4.703433 4.232147 4.122846 4.733216 3.785567 3.790950 3.754533 1.521061 2.525911 3.069115 4.516918 0.000000 5.333522 7.276722 7.329007 7.970778 8.531028 4.392209 6.903003 7.758555 5.150838 3.933974 2.569170 1.537513 5.452913 0.000000 4.097435 7.161600 6.327055 5.081276 6.418358 5.903315 6.148578 5.261356 1.536117 2.543813 3.926327 5.091860 2.533130 6.449234 0.000000 5.004421 7.074596 6.865977 8.833859 9.177296 3.869771 6.658638 8.463028 5.490800 4.563761 3.088450 2.598730 5.784067 1.537616 6.890026 0.000000 1.370773 3.526994 2.870315 4.921976 4.933459 2.717273 2.508927 4.228664 2.550452 3.465342 3.453908 4.935078 1.403867 5.536586 3.721138 5.552631 0.000000 3.635419 4.917234 4.929566 2.729182 3.563913 4.718360 4.231891 2.466624 2.534563 3.242024 3.923909 5.174525 1.394076 6.123499 3.006529 6.699743 2.397195 0.000000 2.433186 2.307744 2.315236 4.680308 4.096269 2.956713 1.470533 3.710283 3.838277 4.657156 4.524558 5.892640 2.434418 6.286247 4.866594 6.316200 1.404852 2.762440 0.000000 4.128991 4.116470 4.610221 2.316918 2.317217 4.827898 3.695042 1.470154 3.814871 4.475986 4.866307 6.068008 2.418001 6.778242 4.343952 7.310709 2.758558 1.390009 2.364367 0.000000 3.698324 2.753908 3.458101 3.554516 2.714951 4.095461 2.430267 2.455264 4.360484 5.092960 5.150071 6.412234 2.839956 6.874402 5.149541 7.161749 2.436759 2.431408 1.383924 1.385767 0.000000 5.473521 8.146186 7.581789 9.761684 10.275424 4.802107 7.570141 9.465353 5.772267 4.875827 3.639524 3.122250 6.391765 2.576370 7.026818 1.530850 6.244254 7.454363 7.211648 8.247393 8.165011 0.000000 1.393377 3.943610 2.930500 7.139075 6.991415 1.207219 3.094368 6.412907 3.828332 4.218180 3.421215 4.627563 3.447129 4.712187 5.249715 4.092761 2.393279 4.627230 3.064309 4.976260 4.362503 4.669396 0.000000 2.330708 5.169174 3.811870 8.448916 8.402930 2.406331 4.308417 7.781689 4.511093 4.851686 4.041606 5.065249 4.526598 5.083525 5.826261 4.116519 3.624011 5.830652 4.422379 6.325853 5.757665 4.248752 1.458627 0.000000 3.589383 5.799309 4.667860 9.513446 9.381694 2.904951 5.144840 8.820781 5.672081 5.765820 4.708673 5.414048 5.708571 5.076269 7.033441 3.808654 4.793693 6.965622 5.446467 7.395511 6.755437 3.867247 2.432065 1.340278 0.000000 4.834786 7.187414 5.897833 10.884231 10.825298 4.391437 6.515582 10.231427 6.715550 6.778398 5.781982 6.317726 6.958939 5.952942 7.962690 4.544824 6.123398 8.273265 6.851177 8.790742 8.183407 4.145270 3.837973 2.507556 1.486573 0.000000 2.331478 6.068000 4.963525 6.049147 6.844478 4.148261 4.987489 5.835165 1.091564 2.144122 2.766505 4.159836 2.121389 5.232993 2.137600 5.271111 2.603097 3.390256 3.999447 4.533288 4.811378 5.364064 3.310799 3.708560 4.905916 5.835739 0.000000 4.378781 7.687602 7.051967 6.323564 7.618770 5.391089 6.810137 6.479626 2.147300 1.096396 2.158079 2.748756 3.453462 4.228238 2.686758 4.818017 4.386021 4.187497 5.656024 5.486720 6.140310 4.806741 4.904241 5.268185 6.120695 6.938356 2.475958 0.000000 4.412178 6.911984 6.732750 4.770399 6.124415 5.160978 6.203309 4.989006 2.168116 1.097362 2.166302 2.840838 2.774828 4.219044 2.798534 5.136326 3.903601 2.992314 4.891791 4.189434 5.031126 5.614667 4.990957 5.793040 6.686505 7.768175 3.049862 1.759091 0.000000 3.130140 5.246390 5.208111 5.621977 6.139322 2.902225 4.675896 5.296695 2.864811 2.163816 1.096324 2.155557 2.766341 2.732932 4.295972 3.258580 2.934130 3.469030 3.753451 4.157318 4.307783 4.179038 3.070367 4.027748 4.694456 5.952726 3.164999 3.065097 2.491159 0.000000 2.909149 6.106988 5.458256 6.931819 7.550907 3.174170 5.312802 6.644133 2.751209 2.148361 1.095317 2.155759 3.327907 2.857415 4.150243 2.800506 3.401049 4.451574 4.569639 5.367983 5.448934 3.086832 2.771963 3.089012 3.750685 4.747641 2.486237 2.530781 3.059466 1.753837 0.000000 5.331585 8.206619 7.847815 7.845970 8.861649 5.308362 7.555595 7.869027 4.222445 2.831400 2.155079 1.096701 5.093498 2.171923 5.194023 2.921275 5.580359 5.848258 6.675336 6.874700 7.267965 2.879091 5.157587 5.331522 5.640918 6.325777 4.301111 2.579700 3.255901 3.055474 2.458425 0.000000 5.504873 7.691865 7.762538 6.648403 7.686544 5.277436 7.208192 6.739124 4.225442 2.734535 2.157653 1.097107 4.718336 2.153740 5.192592 3.517353 5.338532 5.091997 6.197261 5.964138 6.488401 4.133531 5.421738 6.022601 6.435311 7.394721 4.683746 2.959886 2.575197 2.557139 3.056959 1.752330 0.000000 5.346749 6.680914 7.038182 7.473461 7.860680 4.128719 6.463904 7.193004 5.340596 4.219979 2.864354 2.156417 5.345426 1.097228 6.684117 2.152562 5.352610 5.845574 5.880082 6.302408 6.337456 3.499845 4.702385 5.331599 5.355700 6.403687 5.545000 4.742225 4.330229 2.597745 3.318953 3.062050 2.430849 0.000000 6.412361 8.309896 8.418300 8.734556 9.386945 5.455274 7.980619 8.609781 6.047475 4.709888 3.497008 2.156123 6.444168 1.097451 7.245740 2.160152 6.609829 7.044403 7.355950 7.719023 7.883295 2.860159 5.782941 6.056906 5.932722 6.655341 6.158866 4.842140 4.892974 3.753926 3.816401 2.453823 2.473849 1.756674 0.000000 4.134223 7.039697 6.046791 5.170509 6.336656 6.162404 5.974425 5.257348 2.186365 3.503167 4.754128 6.037455 2.753705 7.318030 1.093627 7.634052 3.743873 3.178832 4.770776 4.345781 5.052876 7.773791 5.432527 5.996264 7.281152 8.197788 2.516855 3.713313 3.788454 5.002449 4.847745 6.173372 6.195352 7.505665 8.174891 0.000000 4.678063 8.064658 7.088126 6.081257 7.496754 6.481347 7.015070 6.326898 2.163043 2.796410 4.185210 5.171951 3.469580 6.593578 1.093413 6.991936 4.557279 4.061476 5.802086 5.417234 6.189992 6.899719 5.730923 6.072229 7.215753 7.977825 2.430611 2.488788 3.187587 4.789099 4.302085 5.040418 5.325977 6.992963 7.299189 1.770045 0.000000 4.853176 7.498581 6.939914 4.406199 6.019421 6.459606 6.592955 4.813652 2.194809 2.790989 4.261326 5.270564 2.873783 6.674474 1.093676 7.330994 4.228200 2.843487 5.203029 4.163727 5.207656 7.583786 5.966186 6.687473 7.863110 8.862709 3.065509 2.991125 2.601708 4.544186 4.727350 5.442797 5.140188 6.819386 7.403733 1.771830 1.763261 0.000000 4.044781 6.074054 5.784988 8.314517 8.499155 2.803637 5.622357 7.831102 4.960649 4.300757 2.814781 2.897157 5.080409 2.165461 6.438812 1.094553 4.657545 6.067692 5.373099 6.597992 6.314847 2.157473 3.034847 3.159442 2.956363 3.952401 4.669170 4.721187 4.954453 2.780542 2.349385 3.379052 3.845957 2.452909 3.061058 7.069706 6.650722 6.952736 0.000000 5.784794 7.366299 7.332896 9.539726 9.726128 4.301698 7.104515 9.109743 6.507734 5.595199 4.092245 3.515547 6.669704 2.150501 7.936124 1.096370 6.321015 7.525194 6.922394 8.001766 7.745762 2.155461 4.717398 4.721903 4.156170 4.799061 6.295583 5.890598 6.095484 4.094735 3.848062 3.875664 4.296266 2.452178 2.444912 8.660576 8.074619 8.352493 1.748740 0.000000 4.516619 5.968743 5.993924 2.401597 3.873056 5.641008 5.311803 2.655258 2.741036 3.237349 4.213246 5.293526 2.151382 6.406688 2.768589 7.158242 3.385760 1.080780 3.842754 2.136786 3.396521 7.840542 5.518415 6.639830 7.769613 9.024138 3.759547 4.036324 2.715867 3.936819 4.878271 5.880502 5.034889 6.186397 7.226557 3.082922 3.769355 2.226569 6.656045 8.026159 0.000000 4.578092 2.504951 3.727614 3.903523 2.430370 4.683087 2.627009 2.685798 5.440690 6.134268 6.105988 7.298316 3.920166 7.628637 6.196459 7.895131 3.416408 3.415421 2.148189 2.161209 1.080224 8.985376 5.096085 6.494307 7.403393 8.844359 5.870891 7.194430 6.022799 5.192297 6.404248 8.204583 7.343399 6.989229 8.618206 6.048108 7.248637 6.207830 7.033928 8.376153 4.291316 0.000000 4.973387 8.084226 7.329467 9.316690 9.971467 4.773239 7.370176 9.081242 4.985418 4.156126 3.147847 2.869084 5.791595 2.896445 6.140379 2.187169 5.771743 6.913851 6.886222 7.835848 7.852224 1.094117 4.406678 3.946138 3.866947 4.162638 4.517694 3.950943 4.998365 3.897790 2.484365 2.420720 3.918542 3.867494 3.322550 6.883128 5.925581 6.752055 2.506314 3.077256 7.244743 8.751959 0.000000 5.689612 8.286845 7.584740 10.508690 10.879185 4.934218 7.715879 10.122247 6.398098 5.692793 4.460065 4.151058 6.958178 3.520047 7.673423 2.178716 6.627669 8.106378 7.547326 8.838466 8.613610 1.094432 4.744765 4.048428 3.377867 3.344989 5.843737 5.642239 6.511675 4.913559 3.730351 3.933636 5.187485 4.317233 3.820096 8.322637 7.541677 8.327260 2.519587 2.465461 8.584392 9.393658 1.763491 0.000000 6.487759 9.124516 8.645683 10.376106 11.008280 5.814822 8.583084 10.169578 6.492884 5.426265 4.279129 3.404254 7.203823 2.812922 7.653070 2.180911 7.183243 8.188683 8.160436 9.024533 9.036806 1.095882 5.734180 5.338943 4.927347 5.072823 6.167502 5.224204 6.059458 4.886542 3.909511 2.968540 4.260549 3.813048 2.662584 8.478256 7.441087 8.130348 3.076451 2.547236 8.472009 9.861449 1.767208 1.767778 0.000000 2.445277 5.781835 4.140089 8.629083 8.726827 3.312057 4.778025 8.032235 4.330335 4.867641 4.349896 5.452507 4.564471 5.709931 5.453563 4.817868 3.812000 5.933848 4.774353 6.564315 6.105518 4.686586 2.178115 1.083660 2.126007 2.785826 3.364015 5.136370 5.882782 4.520863 3.350437 5.560942 6.403028 6.073160 6.655915 5.526952 5.585107 6.416639 3.963774 5.533077 6.675490 6.908908 4.164451 4.491453 5.732356 0.000000 3.965520 5.485542 4.744535 9.482165 9.217909 2.599860 5.040938 8.741871 6.078218 6.026124 4.791604 5.355412 5.943141 4.751679 7.530944 3.463954 4.977092 7.083866 5.433679 7.376265 6.663872 3.866290 2.614956 2.087899 1.087581 2.202584 5.460875 6.490075 6.837069 4.596877 3.986489 5.731103 6.324065 4.868533 5.585711 7.837417 7.801928 8.263147 2.592961 3.576963 7.916827 7.216866 4.125414 3.415908 4.886095 3.071535 0.000000 5.505712 7.360006 6.094746 11.586243 11.352828 4.882031 6.792565 10.852135 7.630499 7.761803 6.733166 7.278993 7.738857 6.796438 8.888811 5.346316 6.773641 9.022702 7.337906 9.418774 8.681491 5.060357 4.451184 3.216958 2.127124 1.096454 6.754916 7.981221 8.728892 6.795872 5.728059 7.348269 8.341896 7.153351 7.486036 9.055286 8.956070 9.793634 4.729592 5.432752 9.837021 9.243921 5.193993 4.186390 5.949165 3.545921 2.550411 0.000000 5.489468 7.887890 6.772113 11.306123 11.352883 4.867657 7.269033 10.717907 7.071971 6.901346 5.804845 6.073885 7.432130 5.572728 8.336020 4.094835 6.719149 8.725169 7.502738 9.306008 8.783611 3.490692 4.443035 3.222169 2.126553 1.096155 6.248505 6.970842 7.867205 6.066907 4.811483 5.987670 7.161556 6.125179 6.127512 8.694528 8.274933 9.188390 3.750935 4.247467 9.406894 9.470949 3.680365 2.534029 4.290991 3.555039 2.540893 1.753486 0.000000 4.854745 7.621089 6.090476 11.004449 11.060793 4.914827 6.812583 10.403399 6.562973 6.758003 5.968567 6.602128 6.954603 6.468117 7.663858 5.156401 6.206941 8.321170 7.058958 8.941673 8.410336 4.555193 4.125841 2.673069 2.154836 1.091767 5.586173 6.805890 7.806877 6.266833 4.882981 6.488555 7.680670 7.008139 7.179216 7.831490 7.582014 8.632257 4.585465 5.571436 9.025665 9.134290 4.327829 3.827410 5.452877 2.500441 3.106867 1.781698 1.781678 0.000000 C18H24N2O6 C1 1 C1 1 C1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 340.2023999999997 AuxInfo=1/0/N:9;10;11;12;13;14;15;16;17;18;19;20;21;22;23;24;25;26;7;8;1;2;3;4;5;6;27;28;29;30;31;32;33;34;35;36;37;38;39;40;41;42;43;44;45;46;47;48;49;50/rA:50nO0O0O0O0O0O0N0N0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:-.3766,1.0089,1.1754;1.6252,3.3601,-1.3841;.6766,3.4875,.5585;4.9461,-1.833,-.488;5.3023,.1135,-1.363;-1.1497,1.5136,-.9008;1.2884,2.8783,-.3107;4.6113,-.6773,-.7287;.3967,-1.641,1.7812;-.3038,-2.6376,.8288;-1.2279,-1.9776,-.197;-2.0336,-2.9822,-1.0245;1.2801,-.6777,1.0032;-2.8278,-2.3406,-2.1741;1.1795,-2.3772,2.8789;-3.7719,-1.198,-1.765;.8535,.6265,.7067;2.5243,-1.0825,.5221;1.678,1.4869,-.0373;3.3079,-.215,-.2299;2.9053,1.077,-.5281;-4.81,-1.589,-.7101;-1.3686,1.4071,.2816;-2.6183,1.6229,1.0023;-3.7333,1.9721,.3456;-5.0611,2.1886,.978;-.3815,-1.0505,2.2683;-.8844,-3.3318,1.4478;.4584,-3.2373,.3153;-.6414,-1.3437,-.8723;-1.9173,-1.3096,.3305;-2.713,-3.5306,-.3609;-1.3529,-3.7316,-1.4473;-2.12,-1.9553,-2.9188;-3.4107,-3.1222,-2.6777;1.7018,-1.6752,3.535;.4881,-2.9628,3.491;1.9169,-3.0696,2.4632;-3.1841,-.3499,-1.3998;-4.2892,-.8407,-2.6632;2.8837,-2.083,.717;3.5229,1.7489,-1.106;-4.3417,-1.8453,.245;-5.5084,-.7677,-.5216;-5.3969,-2.4558,-1.0345;-2.6038,1.4675,2.0746;-3.6753,2.1069,-.732;-5.4078,3.2098,.7802;-5.8035,1.5206,.5262;-5.0419,2.0221,2.0569; 0.2645891 0.1407816 0.1124364 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= 716 RedAO= T EigKep= 1.04D-06 NBF= 716 NBsUse= 713 1.00D-06 EigRej= 6.81D-07 NBFU= 713 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= 731 731 731 731 731 MxSgAt= 50 MxSgA2= 50. 1 Closed 1 1 1 -1261.45935722219 -1261.45935722 1 1.256379011520e+03 -7.917053662837e+03 2.912075566044e+03 Using DIIS extrapolation, IDIIS= 1040. NGot= 4246732800 LenX= 4245605578 LenY= 4245054272 Requested convergence on RMS density matrix=1.00D-08 within 128 cycles. Requested convergence on MAX density matrix=1.00D-06. Requested convergence on energy=1.00D-06. No special actions if energy rises. Fock matrices will be formed incrementally for 20 cycles. 1 Singlet-A 3.6222 342.29 0.1038 0.000 95 98 -0.10309 96 98 0.14561 97 98 0.60510 97 99 0.26387 -1261.32624268 2 Singlet-A 3.7565 330.06 0.0198 0.000 88 98 0.15109 88 99 0.22218 89 99 -0.12067 95 98 0.21204 95 99 0.36160 96 99 -0.19667 97 98 0.22430 97 99 -0.27776 3 Singlet-A 3.8208 324.50 0.0001 0.000 90 98 0.58406 90 99 -0.35346 4 Singlet-A 3.8722 320.19 0.0511 0.000 88 99 0.11419 95 98 0.16397 95 99 0.17677 96 98 -0.23103 97 98 -0.13895 97 99 0.56970 5 Singlet-A 3.9262 315.79 0.0387 0.000 95 99 0.22869 96 98 0.56797 96 99 0.25598 97 98 -0.17004 6 Singlet-A 4.1355 299.80 0.0658 0.000 95 98 0.29424 96 98 -0.20906 96 99 0.57478 97 98 0.12886 97 99 -0.10645 7 Singlet-A 4.2098 294.51 0.0704 0.000 88 98 -0.10528 88 99 -0.14869 89 98 0.12528 89 99 0.13432 91 98 0.14590 91 99 0.16187 94 98 -0.11507 95 98 0.46627 95 99 -0.12601 96 98 0.17589 96 99 -0.22366 8 Singlet-A 4.2819 289.56 0.1697 0.000 85 99 0.10974 87 99 0.11270 88 98 -0.10771 88 99 -0.12768 89 99 0.12199 91 98 0.23179 91 99 0.19630 94 98 -0.16317 94 99 -0.12607 95 98 -0.25455 95 99 0.36906 96 98 -0.10650 9 Singlet-A 4.4150 280.82 0.0038 0.000 81 98 0.17797 83 98 0.11846 84 98 0.35289 84 99 -0.21090 88 98 0.10712 88 99 -0.19840 89 98 0.12949 94 98 0.37135 95 99 0.12730 10 Singlet-A 4.4259 280.13 0.0093 0.000 81 98 -0.10504 81 99 0.12336 84 98 -0.29237 84 99 0.16856 88 98 -0.24346 89 99 0.13027 91 98 -0.12274 94 98 0.41526 94 99 0.13098 95 99 0.11425 PT55271.900S 2022-06-17T21:19:54.000 -19.20044 -19.18503 -19.18418 -19.18115 -19.18100 -19.13629 -14.57966 -14.57617 -10.32929 -10.28866 -10.26588 -10.25878 -10.22814 -10.21996 -10.21860 -10.20740 -10.18832 -10.18717 -10.17180 -10.16456 -10.15970 -10.15560 -10.15449 -10.15392 -10.15367 -10.14908 -1.26297 -1.25835 -1.14122 -1.08787 -1.08326 -1.05715 -0.92513 -0.85419 -0.84563 -0.82335 -0.80319 -0.78175 -0.75514 -0.74715 -0.73596 -0.71355 -0.69841 -0.66245 -0.65502 -0.64136 -0.61011 -0.60291 -0.59349 -0.57791 -0.56713 -0.56473 -0.56091 -0.55203 -0.54941 -0.54691 -0.53944 -0.53403 -0.51908 -0.51226 -0.48239 -0.47907 -0.46800 -0.45630 -0.45118 -0.44483 -0.43788 -0.43128 -0.42505 -0.42300 -0.41610 -0.41188 -0.40200 -0.39326 -0.38724 -0.37912 -0.37668 -0.37211 -0.36475 -0.36358 -0.35345 -0.34418 -0.34289 -0.34182 -0.34065 -0.33567 -0.33367 -0.32972 -0.32698 -0.32245 -0.31592 -0.31166 -0.30859 -0.30434 -0.29587 -0.28498 -0.27789 -0.12067 -0.11345 -0.06690 -0.03941 -0.01854 0.00341 0.01105 0.01432 0.01683 0.02588 0.02891 0.03426 0.03485 0.03570 0.04343 0.04852 0.05196 0.05346 0.05856 0.06403 0.06657 0.06924 0.07111 0.07456 0.07987 0.08173 0.08389 0.08691 0.08851 0.09030 0.09464 0.10012 0.10434 0.10658 0.10910 0.11043 0.11479 0.11650 0.12085 0.12281 0.12577 0.12695 0.13002 0.13326 0.13694 0.13864 0.14249 0.14506 0.15059 0.15196 0.15478 0.15973 0.16108 0.16357 0.16455 0.16985 0.17368 0.17502 0.17730 0.17798 0.18077 0.18504 0.18752 0.18861 0.19352 0.19364 0.19673 0.19796 0.19859 0.20091 0.20376 0.20635 0.21107 0.21129 0.21483 0.21824 0.22000 0.22157 0.22437 0.22962 0.22973 0.23132 0.23275 0.23329 0.23728 0.23958 0.24333 0.24446 0.24905 0.25006 0.25123 0.25253 0.25478 0.25855 0.26309 0.26470 0.26796 0.26878 0.27126 0.27335 0.27757 0.28140 0.28330 0.28588 0.28947 0.29374 0.29743 0.29776 0.30031 0.30296 0.30601 0.30748 0.31005 0.31592 0.31678 0.32033 0.32226 0.32566 0.32778 0.32903 0.33492 0.33809 0.34040 0.34501 0.34701 0.35415 0.35474 0.35974 0.36557 0.36866 0.37104 0.37865 0.38235 0.38772 0.38864 0.39476 0.39578 0.39951 0.40471 0.40866 0.41046 0.41620 0.41949 0.42445 0.43022 0.43257 0.44088 0.44458 0.44816 0.45289 0.45594 0.45828 0.46599 0.47076 0.47255 0.47854 0.48648 0.49011 0.49528 0.49784 0.50097 0.51318 0.52351 0.52503 0.52607 0.52931 0.53871 0.54674 0.55164 0.55965 0.56882 0.57661 0.57699 0.58559 0.58739 0.58896 0.59406 0.60788 0.61481 0.62446 0.63174 0.63639 0.63901 0.64227 0.64618 0.64957 0.65179 0.65611 0.66505 0.66737 0.67390 0.67525 0.68035 0.68238 0.68634 0.69323 0.70102 0.70221 0.70701 0.70914 0.71238 0.71594 0.71929 0.71974 0.72305 0.73391 0.73609 0.73925 0.74157 0.74810 0.75161 0.75734 0.75958 0.76292 0.76571 0.77421 0.78582 0.79044 0.79240 0.79815 0.80912 0.81597 0.82317 0.83047 0.83486 0.84050 0.84440 0.85151 0.85973 0.86492 0.86608 0.88555 0.88894 0.89571 0.90594 0.91105 0.91909 0.92329 0.93080 0.93883 0.94389 0.95041 0.96527 0.96571 0.97289 0.97952 0.98530 0.99393 1.00715 1.01080 1.01969 1.02914 1.03203 1.04063 1.04757 1.05614 1.05803 1.06515 1.07434 1.07988 1.08499 1.10208 1.10382 1.10894 1.11982 1.13136 1.13656 1.13898 1.16469 1.16616 1.17251 1.17928 1.18131 1.18880 1.19347 1.20393 1.21129 1.21510 1.22193 1.23222 1.24065 1.24355 1.25253 1.26645 1.27454 1.27921 1.28192 1.29213 1.29730 1.31369 1.33245 1.33702 1.35454 1.35938 1.37127 1.37528 1.39048 1.39943 1.40176 1.41908 1.42592 1.44138 1.45386 1.45946 1.47435 1.47825 1.48453 1.49201 1.49610 1.51306 1.52107 1.52743 1.53090 1.54204 1.54595 1.55774 1.56504 1.56691 1.56862 1.57604 1.57731 1.57943 1.58653 1.59678 1.60208 1.60456 1.61056 1.61771 1.62074 1.62384 1.63322 1.64129 1.64858 1.65095 1.65489 1.66572 1.66938 1.67719 1.68065 1.68914 1.69047 1.70012 1.70970 1.71650 1.72306 1.72633 1.73020 1.73627 1.74341 1.74880 1.75943 1.76040 1.76709 1.77284 1.77796 1.78098 1.79072 1.79313 1.80474 1.81071 1.82644 1.83361 1.83772 1.84602 1.85658 1.85968 1.86868 1.87329 1.87798 1.88666 1.89344 1.89910 1.91389 1.92516 1.94144 1.94606 1.96105 1.96867 1.97173 1.98778 2.00091 2.00319 2.00869 2.01656 2.02376 2.03528 2.04551 2.05558 2.07126 2.07565 2.09099 2.10929 2.11192 2.12083 2.12933 2.14647 2.16033 2.16127 2.17140 2.18029 2.20215 2.20914 2.21404 2.23640 2.23713 2.25245 2.26041 2.26348 2.27274 2.27657 2.28891 2.30189 2.31817 2.32421 2.33600 2.34462 2.35457 2.35925 2.37189 2.37768 2.38371 2.40302 2.41050 2.42903 2.43398 2.45105 2.45403 2.46464 2.47135 2.47613 2.49495 2.50412 2.52573 2.52875 2.53954 2.54149 2.54687 2.55655 2.56766 2.57288 2.57800 2.58634 2.58992 2.60043 2.60237 2.61876 2.62312 2.63855 2.64272 2.65027 2.65831 2.67332 2.67702 2.68414 2.69356 2.70736 2.71322 2.71784 2.72684 2.73685 2.73898 2.74482 2.75012 2.76173 2.76511 2.77503 2.77714 2.79839 2.80053 2.80614 2.81428 2.82248 2.83145 2.83674 2.83856 2.84383 2.85296 2.85799 2.86535 2.87492 2.87532 2.88667 2.88834 2.90034 2.90325 2.91729 2.92020 2.93289 2.93983 2.95060 2.95777 2.97627 2.97927 3.00384 3.01923 3.02391 3.03007 3.04074 3.07262 3.07902 3.08211 3.08968 3.09859 3.10872 3.11534 3.12972 3.18193 3.19662 3.20286 3.21502 3.22357 3.23732 3.27339 3.28126 3.29092 3.30173 3.31511 3.32966 3.35070 3.35512 3.35919 3.37971 3.39821 3.40404 3.45429 3.47953 3.50380 3.54170 3.56311 3.56748 3.59063 3.62752 3.64277 3.67916 3.70124 3.72661 3.76299 3.77808 3.78280 3.78692 3.79933 3.80467 3.81081 3.81504 3.82441 3.83951 3.84655 3.86311 3.86329 3.87112 3.88650 3.90311 3.92279 3.95037 4.05677 4.09159 4.11108 4.13186 4.14550 4.19129 4.21230 4.23377 4.27129 4.34925 4.38018 4.41426 4.42489 4.50617 4.53403 4.69354 4.73797 4.83663 4.97710 4.99937 5.03357 5.07927 5.08928 5.10413 5.14768 5.15857 5.16717 5.21297 5.30517 5.42361 5.67158 5.73806 5.76254 5.95696 6.23734 6.24742 23.54052 23.76215 23.84798 23.86529 23.88516 23.90830 23.91643 23.93222 23.93919 23.96142 23.96438 23.97955 23.98721 24.01240 24.01896 24.07078 24.14812 24.21970 35.38012 35.41056 49.87327 49.88111 49.96175 49.98253 49.98567 50.03328 1-A. Mulliken charges: 1 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 50 O O O O O O N N 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 0.102278 -0.023542 0.042896 -0.053659 -0.049861 -0.163549 -0.215500 -0.176520 0.237670 -0.406872 -0.186502 -0.396598 1.274636 -0.560832 -0.667185 -0.056715 0.173078 -0.837616 0.214713 -0.249969 -0.097138 -0.571584 -0.698791 -0.115931 0.257888 -0.776599 0.179098 0.160351 0.172514 0.186726 0.183086 0.160393 0.152591 0.153137 0.147243 0.160517 0.161797 0.168789 0.141756 0.137138 0.196171 0.210746 0.148345 0.142094 0.144091 0.176954 0.190668 0.184264 0.177706 0.165630 -0.00000 -7.9215 -3.8810 5.3361 10.3096 -164.4047 -171.7913 -158.4171 -4.9083 6.1287 1.7470 0.4664 -6.9203 6.4539 -4.9083 6.1287 1.7470 -277.5179 -45.7980 11.5062 -34.1216 105.8668 67.3224 -7.1001 -8.5420 18.8311 -8.6358 -8991.5015 -4107.6587 -1552.2742 -17.8194 227.5336 -103.3618 9.2615 -53.0287 -1.5922 -1961.8051 -1658.6837 -922.3665 9.3005 8.2807 -31.4538 (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A) (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(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-DEPAZ04 APULGAR 2022-06-17T00:00:00.000 0 Electronic spectrum meptyldinocap CONF109 octanol 0 1 Version=EM64L-G16RevC.01 State=1-A HF=-1261.4593572 RMSD=5.266e-09 PG=C01 [X(C18H24N2O6)] 0 -0.4709567419 0.8027349702 1.2827027203 0 1.4208197823 3.4669369753 -1.0431508334 0 0.5038863996 3.3617132533 0.9159351983 0 4.8959413022 -1.6942755887 -0.750937081 0 5.1839204282 0.3430212654 -1.4203301545 0 -1.2942519302 1.5008923646 -0.7167100671 0 1.1163181896 2.8652269849 -0.0218405787 0 4.5258899125 -0.5297415309 -0.8630512291 0 0.3841727411 -1.8729866882 1.5931934544 0 -0.3060576213 -2.7834082033 0.5512111708 0 -1.2656965435 -2.0457370065 -0.3851065611 0 -2.058668435 -2.9803333108 -1.3022711007 0 1.2272447152 -0.8081500062 0.9083728712 0 -2.8901886142 -2.2441991057 -2.3655799219 0 1.2059474884 -2.6979160864 2.5951081196 0 -3.8573440836 -1.1786389256 -1.8238663713 0 0.7604305837 0.5072558515 0.7579217784 0 2.4732084309 -1.1241551664 0.3687780135 0 1.5480641345 1.4645318416 0.0969648722 0 3.2196111665 -0.1601304817 -0.2988033135 0 2.7770768161 1.1440364097 -0.4526327009 0 -4.865604592 -1.708248054 -0.800916402 0 -1.4891342482 1.2642225051 0.4509307158 0 -2.7311398213 1.3669325838 1.208864944 0 -3.8666459567 1.7512909822 0.6094991561 0 -5.1883309526 1.8617581396 1.2809493972 0 -0.4008091525 -1.3596509349 2.1515851262 0 -0.8565476443 -3.5552863015 1.1018909649 0 0.4627612563 -3.3035459904 -0.0340896491 0 -0.7086147712 -1.3276537146 -0.9982485398 0 -1.9634102342 -1.4571032487 0.2202242703 0 -2.7110989592 -3.6148240132 -0.6902997976 0 -1.3655995143 -3.6611462674 -1.8119702933 0 -2.2064113454 -1.7624532928 -3.075706462 0 -3.4607027083 -2.9848788213 -2.9403025934 0 1.7207749546 -2.0542468221 3.3139001911 0 0.541636294 -3.3643842562 3.1519404493 0 1.9542702482 -3.3212903667 2.0975690248 0 -3.2862402613 -0.3572475696 -1.3797914339 0 -4.3999953289 -0.7436675852 -2.671425887 0 2.8628576859 -2.1288683462 0.4512982808 0 3.3659719271 1.890514835 -0.9653280385 0 -4.3736281689 -2.050195396 0.1145738309 0 -5.5824205004 -0.931785068 -0.5162046587 0 -5.4345724755 -2.5525084782 -1.2064489762 0 -2.6933462701 1.0999128365 2.2584318172 0 -3.8315286952 2.0004893683 -0.4485646238 0 -5.5658794042 2.8877677255 1.1974484561 0 -5.9203655318 1.2240031432 0.7720780071 0 -5.1454349122 1.5831304014 2.3356914994 Gaussian 16 17-Jun-2022 Gaussian 16 3-Jul-2019 EM64L-G16RevC.01 144 C1[X(C18H24N2O6)] RB3LYP 6-311+G(3df,2p) SP #P B3LYP 6-311+G(3df,2p) EmpiricalDispersion=gd3 scrf=(smd,Solvent=n-Octanol) geom=check guess=read 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 340.2023999999997 AuxInfo=1/0/N:9;10;11;12;13;14;15;16;17;18;19;20;21;22;23;24;25;26;7;8;1;2;3;4;5;6;27;28;29;30;31;32;33;34;35;36;37;38;39;40;41;42;43;44;45;46;47;48;49;50/rA:50nO0O0O0O0O0O0N0N0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:-.471,.8027,1.2827;1.4208,3.4669,-1.0432;.5039,3.3617,.9159;4.8959,-1.6943,-.7509;5.1839,.343,-1.4203;-1.2943,1.5009,-.7167;1.1163,2.8652,-.0218;4.5259,-.5297,-.8631;.3842,-1.873,1.5932;-.3061,-2.7834,.5512;-1.2657,-2.0457,-.3851;-2.0587,-2.9803,-1.3023;1.2272,-.8082,.9084;-2.8902,-2.2442,-2.3656;1.2059,-2.6979,2.5951;-3.8573,-1.1786,-1.8239;.7604,.5073,.7579;2.4732,-1.1242,.3688;1.5481,1.4645,.097;3.2196,-.1601,-.2988;2.7771,1.144,-.4526;-4.8656,-1.7082,-.8009;-1.4891,1.2642,.4509;-2.7311,1.3669,1.2089;-3.8666,1.7513,.6095;-5.1883,1.8618,1.2809;-.4008,-1.3597,2.1516;-.8565,-3.5553,1.1019;.4628,-3.3035,-.0341;-.7086,-1.3277,-.9982;-1.9634,-1.4571,.2202;-2.7111,-3.6148,-.6903;-1.3656,-3.6611,-1.812;-2.2064,-1.7625,-3.0757;-3.4607,-2.9849,-2.9403;1.7208,-2.0542,3.3139;.5416,-3.3644,3.1519;1.9543,-3.3213,2.0976;-3.2862,-.3572,-1.3798;-4.4,-.7437,-2.6714;2.8629,-2.1289,.4513;3.366,1.8905,-.9653;-4.3736,-2.0502,.1146;-5.5824,-.9318,-.5162;-5.4346,-2.5525,-1.2064;-2.6933,1.0999,2.2584;-3.8315,2.0005,-.4486;-5.5659,2.8878,1.1974;-5.9204,1.224,.7721;-5.1454,1.5831,2.3357; oldchk=/home/apulgar/almacen/pesticidas/gaussian_results/C4-C8/meptyldinocap/oc #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 meptyldinocap CONF109 octanol Redundant internal coordinates found in file. (old form). 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 50 16 16 16 16 16 16 14 14 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 15.9949146 15.9949146 15.9949146 15.9949146 15.9949146 15.9949146 14.0030740 14.0030740 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 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 2 2 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 5.6000000 5.6000000 5.6000000 5.6000000 5.6000000 5.6000000 4.5500000 4.5500000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 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 1386 A 1230 A 1230 1772 1386 97 97 2487.1934201992 50 50 50 1.00e+00 60 F IExCor= 402 DFT=T Ex+Corr=B3LYP ExCW=0 ScaHFX= 0.200000 ScaDFX= 0.800000 0.720000 1.000000 0.810000 ScalE2= 1.000000 1.000000 IRadAn= 5 IRanWt= -1 IRanGd= 0 ICorTp=0 IEmpDi=131 Grimme-D3 -0.0610578252 PCM SMD-Coulomb. Total charges None On-the-fly selection n-Octanol 9.862900 2.043470 0.000000 4.010784 0.000000 2.762826 2.165608 0.000000 6.258941 6.228962 6.901567 0.000000 6.284533 4.905307 6.039317 2.163700 0.000000 2.272199 3.368013 3.059655 6.966259 6.618343 0.000000 2.911211 1.223867 1.225151 5.967093 4.986249 2.855714 0.000000 5.598949 5.064320 5.872370 1.227048 1.226898 6.165950 4.884529 0.000000 2.826152 6.044810 5.279687 5.087528 6.085195 4.419935 5.059154 4.999127 0.000000 3.663700 6.677643 6.208990 5.471983 6.618262 4.575957 5.853086 5.516056 1.546290 0.000000 3.395142 6.167655 5.836493 6.182486 6.955244 3.562212 5.470240 6.005759 2.581779 1.530280 0.000000 4.849178 7.330844 7.190875 7.093977 7.969549 4.583514 6.774261 7.039512 3.946822 2.558480 1.530838 0.000000 2.370435 4.703433 4.232147 4.122846 4.733216 3.785567 3.790950 3.754533 1.521061 2.525911 3.069115 4.516918 0.000000 5.333522 7.276722 7.329007 7.970778 8.531028 4.392209 6.903003 7.758555 5.150838 3.933974 2.569170 1.537513 5.452913 0.000000 4.097435 7.161600 6.327055 5.081276 6.418358 5.903315 6.148578 5.261356 1.536117 2.543813 3.926327 5.091860 2.533130 6.449234 0.000000 5.004421 7.074596 6.865977 8.833859 9.177296 3.869771 6.658638 8.463028 5.490800 4.563761 3.088450 2.598730 5.784067 1.537616 6.890026 0.000000 1.370773 3.526994 2.870315 4.921976 4.933459 2.717273 2.508927 4.228664 2.550452 3.465342 3.453908 4.935078 1.403867 5.536586 3.721138 5.552631 0.000000 3.635419 4.917234 4.929566 2.729182 3.563913 4.718360 4.231891 2.466624 2.534563 3.242024 3.923909 5.174525 1.394076 6.123499 3.006529 6.699743 2.397195 0.000000 2.433186 2.307744 2.315236 4.680308 4.096269 2.956713 1.470533 3.710283 3.838277 4.657156 4.524558 5.892640 2.434418 6.286247 4.866594 6.316200 1.404852 2.762440 0.000000 4.128991 4.116470 4.610221 2.316918 2.317217 4.827898 3.695042 1.470154 3.814871 4.475986 4.866307 6.068008 2.418001 6.778242 4.343952 7.310709 2.758558 1.390009 2.364367 0.000000 3.698324 2.753908 3.458101 3.554516 2.714951 4.095461 2.430267 2.455264 4.360484 5.092960 5.150071 6.412234 2.839956 6.874402 5.149541 7.161749 2.436759 2.431408 1.383924 1.385767 0.000000 5.473521 8.146186 7.581789 9.761684 10.275424 4.802107 7.570141 9.465353 5.772267 4.875827 3.639524 3.122250 6.391765 2.576370 7.026818 1.530850 6.244254 7.454363 7.211648 8.247393 8.165011 0.000000 1.393377 3.943610 2.930500 7.139075 6.991415 1.207219 3.094368 6.412907 3.828332 4.218180 3.421215 4.627563 3.447129 4.712187 5.249715 4.092761 2.393279 4.627230 3.064309 4.976260 4.362503 4.669396 0.000000 2.330708 5.169174 3.811870 8.448916 8.402930 2.406331 4.308417 7.781689 4.511093 4.851686 4.041606 5.065249 4.526598 5.083525 5.826261 4.116519 3.624011 5.830652 4.422379 6.325853 5.757665 4.248752 1.458627 0.000000 3.589383 5.799309 4.667860 9.513446 9.381694 2.904951 5.144840 8.820781 5.672081 5.765820 4.708673 5.414048 5.708571 5.076269 7.033441 3.808654 4.793693 6.965622 5.446467 7.395511 6.755437 3.867247 2.432065 1.340278 0.000000 4.834786 7.187414 5.897833 10.884231 10.825298 4.391437 6.515582 10.231427 6.715550 6.778398 5.781982 6.317726 6.958939 5.952942 7.962690 4.544824 6.123398 8.273265 6.851177 8.790742 8.183407 4.145270 3.837973 2.507556 1.486573 0.000000 2.331478 6.068000 4.963525 6.049147 6.844478 4.148261 4.987489 5.835165 1.091564 2.144122 2.766505 4.159836 2.121389 5.232993 2.137600 5.271111 2.603097 3.390256 3.999447 4.533288 4.811378 5.364064 3.310799 3.708560 4.905916 5.835739 0.000000 4.378781 7.687602 7.051967 6.323564 7.618770 5.391089 6.810137 6.479626 2.147300 1.096396 2.158079 2.748756 3.453462 4.228238 2.686758 4.818017 4.386021 4.187497 5.656024 5.486720 6.140310 4.806741 4.904241 5.268185 6.120695 6.938356 2.475958 0.000000 4.412178 6.911984 6.732750 4.770399 6.124415 5.160978 6.203309 4.989006 2.168116 1.097362 2.166302 2.840838 2.774828 4.219044 2.798534 5.136326 3.903601 2.992314 4.891791 4.189434 5.031126 5.614667 4.990957 5.793040 6.686505 7.768175 3.049862 1.759091 0.000000 3.130140 5.246390 5.208111 5.621977 6.139322 2.902225 4.675896 5.296695 2.864811 2.163816 1.096324 2.155557 2.766341 2.732932 4.295972 3.258580 2.934130 3.469030 3.753451 4.157318 4.307783 4.179038 3.070367 4.027748 4.694456 5.952726 3.164999 3.065097 2.491159 0.000000 2.909149 6.106988 5.458256 6.931819 7.550907 3.174170 5.312802 6.644133 2.751209 2.148361 1.095317 2.155759 3.327907 2.857415 4.150243 2.800506 3.401049 4.451574 4.569639 5.367983 5.448934 3.086832 2.771963 3.089012 3.750685 4.747641 2.486237 2.530781 3.059466 1.753837 0.000000 5.331585 8.206619 7.847815 7.845970 8.861649 5.308362 7.555595 7.869027 4.222445 2.831400 2.155079 1.096701 5.093498 2.171923 5.194023 2.921275 5.580359 5.848258 6.675336 6.874700 7.267965 2.879091 5.157587 5.331522 5.640918 6.325777 4.301111 2.579700 3.255901 3.055474 2.458425 0.000000 5.504873 7.691865 7.762538 6.648403 7.686544 5.277436 7.208192 6.739124 4.225442 2.734535 2.157653 1.097107 4.718336 2.153740 5.192592 3.517353 5.338532 5.091997 6.197261 5.964138 6.488401 4.133531 5.421738 6.022601 6.435311 7.394721 4.683746 2.959886 2.575197 2.557139 3.056959 1.752330 0.000000 5.346749 6.680914 7.038182 7.473461 7.860680 4.128719 6.463904 7.193004 5.340596 4.219979 2.864354 2.156417 5.345426 1.097228 6.684117 2.152562 5.352610 5.845574 5.880082 6.302408 6.337456 3.499845 4.702385 5.331599 5.355700 6.403687 5.545000 4.742225 4.330229 2.597745 3.318953 3.062050 2.430849 0.000000 6.412361 8.309896 8.418300 8.734556 9.386945 5.455274 7.980619 8.609781 6.047475 4.709888 3.497008 2.156123 6.444168 1.097451 7.245740 2.160152 6.609829 7.044403 7.355950 7.719023 7.883295 2.860159 5.782941 6.056906 5.932722 6.655341 6.158866 4.842140 4.892974 3.753926 3.816401 2.453823 2.473849 1.756674 0.000000 4.134223 7.039697 6.046791 5.170509 6.336656 6.162404 5.974425 5.257348 2.186365 3.503167 4.754128 6.037455 2.753705 7.318030 1.093627 7.634052 3.743873 3.178832 4.770776 4.345781 5.052876 7.773791 5.432527 5.996264 7.281152 8.197788 2.516855 3.713313 3.788454 5.002449 4.847745 6.173372 6.195352 7.505665 8.174891 0.000000 4.678063 8.064658 7.088126 6.081257 7.496754 6.481347 7.015070 6.326898 2.163043 2.796410 4.185210 5.171951 3.469580 6.593578 1.093413 6.991936 4.557279 4.061476 5.802086 5.417234 6.189992 6.899719 5.730923 6.072229 7.215753 7.977825 2.430611 2.488788 3.187587 4.789099 4.302085 5.040418 5.325977 6.992963 7.299189 1.770045 0.000000 4.853176 7.498581 6.939914 4.406199 6.019421 6.459606 6.592955 4.813652 2.194809 2.790989 4.261326 5.270564 2.873783 6.674474 1.093676 7.330994 4.228200 2.843487 5.203029 4.163727 5.207656 7.583786 5.966186 6.687473 7.863110 8.862709 3.065509 2.991125 2.601708 4.544186 4.727350 5.442797 5.140188 6.819386 7.403733 1.771830 1.763261 0.000000 4.044781 6.074054 5.784988 8.314517 8.499155 2.803637 5.622357 7.831102 4.960649 4.300757 2.814781 2.897157 5.080409 2.165461 6.438812 1.094553 4.657545 6.067692 5.373099 6.597992 6.314847 2.157473 3.034847 3.159442 2.956363 3.952401 4.669170 4.721187 4.954453 2.780542 2.349385 3.379052 3.845957 2.452909 3.061058 7.069706 6.650722 6.952736 0.000000 5.784794 7.366299 7.332896 9.539726 9.726128 4.301698 7.104515 9.109743 6.507734 5.595199 4.092245 3.515547 6.669704 2.150501 7.936124 1.096370 6.321015 7.525194 6.922394 8.001766 7.745762 2.155461 4.717398 4.721903 4.156170 4.799061 6.295583 5.890598 6.095484 4.094735 3.848062 3.875664 4.296266 2.452178 2.444912 8.660576 8.074619 8.352493 1.748740 0.000000 4.516619 5.968743 5.993924 2.401597 3.873056 5.641008 5.311803 2.655258 2.741036 3.237349 4.213246 5.293526 2.151382 6.406688 2.768589 7.158242 3.385760 1.080780 3.842754 2.136786 3.396521 7.840542 5.518415 6.639830 7.769613 9.024138 3.759547 4.036324 2.715867 3.936819 4.878271 5.880502 5.034889 6.186397 7.226557 3.082922 3.769355 2.226569 6.656045 8.026159 0.000000 4.578092 2.504951 3.727614 3.903523 2.430370 4.683087 2.627009 2.685798 5.440690 6.134268 6.105988 7.298316 3.920166 7.628637 6.196459 7.895131 3.416408 3.415421 2.148189 2.161209 1.080224 8.985376 5.096085 6.494307 7.403393 8.844359 5.870891 7.194430 6.022799 5.192297 6.404248 8.204583 7.343399 6.989229 8.618206 6.048108 7.248637 6.207830 7.033928 8.376153 4.291316 0.000000 4.973387 8.084226 7.329467 9.316690 9.971467 4.773239 7.370176 9.081242 4.985418 4.156126 3.147847 2.869084 5.791595 2.896445 6.140379 2.187169 5.771743 6.913851 6.886222 7.835848 7.852224 1.094117 4.406678 3.946138 3.866947 4.162638 4.517694 3.950943 4.998365 3.897790 2.484365 2.420720 3.918542 3.867494 3.322550 6.883128 5.925581 6.752055 2.506314 3.077256 7.244743 8.751959 0.000000 5.689612 8.286845 7.584740 10.508690 10.879185 4.934218 7.715879 10.122247 6.398098 5.692793 4.460065 4.151058 6.958178 3.520047 7.673423 2.178716 6.627669 8.106378 7.547326 8.838466 8.613610 1.094432 4.744765 4.048428 3.377867 3.344989 5.843737 5.642239 6.511675 4.913559 3.730351 3.933636 5.187485 4.317233 3.820096 8.322637 7.541677 8.327260 2.519587 2.465461 8.584392 9.393658 1.763491 0.000000 6.487759 9.124516 8.645683 10.376106 11.008280 5.814822 8.583084 10.169578 6.492884 5.426265 4.279129 3.404254 7.203823 2.812922 7.653070 2.180911 7.183243 8.188683 8.160436 9.024533 9.036806 1.095882 5.734180 5.338943 4.927347 5.072823 6.167502 5.224204 6.059458 4.886542 3.909511 2.968540 4.260549 3.813048 2.662584 8.478256 7.441087 8.130348 3.076451 2.547236 8.472009 9.861449 1.767208 1.767778 0.000000 2.445277 5.781835 4.140089 8.629083 8.726827 3.312057 4.778025 8.032235 4.330335 4.867641 4.349896 5.452507 4.564471 5.709931 5.453563 4.817868 3.812000 5.933848 4.774353 6.564315 6.105518 4.686586 2.178115 1.083660 2.126007 2.785826 3.364015 5.136370 5.882782 4.520863 3.350437 5.560942 6.403028 6.073160 6.655915 5.526952 5.585107 6.416639 3.963774 5.533077 6.675490 6.908908 4.164451 4.491453 5.732356 0.000000 3.965520 5.485542 4.744535 9.482165 9.217909 2.599860 5.040938 8.741871 6.078218 6.026124 4.791604 5.355412 5.943141 4.751679 7.530944 3.463954 4.977092 7.083866 5.433679 7.376265 6.663872 3.866290 2.614956 2.087899 1.087581 2.202584 5.460875 6.490075 6.837069 4.596877 3.986489 5.731103 6.324065 4.868533 5.585711 7.837417 7.801928 8.263147 2.592961 3.576963 7.916827 7.216866 4.125414 3.415908 4.886095 3.071535 0.000000 5.505712 7.360006 6.094746 11.586243 11.352828 4.882031 6.792565 10.852135 7.630499 7.761803 6.733166 7.278993 7.738857 6.796438 8.888811 5.346316 6.773641 9.022702 7.337906 9.418774 8.681491 5.060357 4.451184 3.216958 2.127124 1.096454 6.754916 7.981221 8.728892 6.795872 5.728059 7.348269 8.341896 7.153351 7.486036 9.055286 8.956070 9.793634 4.729592 5.432752 9.837021 9.243921 5.193993 4.186390 5.949165 3.545921 2.550411 0.000000 5.489468 7.887890 6.772113 11.306123 11.352883 4.867657 7.269033 10.717907 7.071971 6.901346 5.804845 6.073885 7.432130 5.572728 8.336020 4.094835 6.719149 8.725169 7.502738 9.306008 8.783611 3.490692 4.443035 3.222169 2.126553 1.096155 6.248505 6.970842 7.867205 6.066907 4.811483 5.987670 7.161556 6.125179 6.127512 8.694528 8.274933 9.188390 3.750935 4.247467 9.406894 9.470949 3.680365 2.534029 4.290991 3.555039 2.540893 1.753486 0.000000 4.854745 7.621089 6.090476 11.004449 11.060793 4.914827 6.812583 10.403399 6.562973 6.758003 5.968567 6.602128 6.954603 6.468117 7.663858 5.156401 6.206941 8.321170 7.058958 8.941673 8.410336 4.555193 4.125841 2.673069 2.154836 1.091767 5.586173 6.805890 7.806877 6.266833 4.882981 6.488555 7.680670 7.008139 7.179216 7.831490 7.582014 8.632257 4.585465 5.571436 9.025665 9.134290 4.327829 3.827410 5.452877 2.500441 3.106867 1.781698 1.781678 0.000000 C18H24N2O6 C1 1 C1 1 C1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 340.2023999999997 AuxInfo=1/0/N:9;10;11;12;13;14;15;16;17;18;19;20;21;22;23;24;25;26;7;8;1;2;3;4;5;6;27;28;29;30;31;32;33;34;35;36;37;38;39;40;41;42;43;44;45;46;47;48;49;50/rA:50nO0O0O0O0O0O0N0N0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:-.3766,1.0089,1.1754;1.6252,3.3601,-1.3841;.6766,3.4875,.5585;4.9461,-1.833,-.488;5.3023,.1135,-1.363;-1.1497,1.5136,-.9008;1.2884,2.8783,-.3107;4.6113,-.6773,-.7287;.3967,-1.641,1.7812;-.3038,-2.6376,.8288;-1.2279,-1.9776,-.197;-2.0336,-2.9822,-1.0245;1.2801,-.6777,1.0032;-2.8278,-2.3406,-2.1741;1.1795,-2.3772,2.8789;-3.7719,-1.198,-1.765;.8535,.6265,.7067;2.5243,-1.0825,.5221;1.678,1.4869,-.0373;3.3079,-.215,-.2299;2.9053,1.077,-.5281;-4.81,-1.589,-.7101;-1.3686,1.4071,.2816;-2.6183,1.6229,1.0023;-3.7333,1.9721,.3456;-5.0611,2.1886,.978;-.3815,-1.0505,2.2683;-.8844,-3.3318,1.4478;.4584,-3.2373,.3153;-.6414,-1.3437,-.8723;-1.9173,-1.3096,.3305;-2.713,-3.5306,-.3609;-1.3529,-3.7316,-1.4473;-2.12,-1.9553,-2.9188;-3.4107,-3.1222,-2.6777;1.7018,-1.6752,3.535;.4881,-2.9628,3.491;1.9169,-3.0696,2.4632;-3.1841,-.3499,-1.3998;-4.2892,-.8407,-2.6632;2.8837,-2.083,.717;3.5229,1.7489,-1.106;-4.3417,-1.8453,.245;-5.5084,-.7677,-.5216;-5.3969,-2.4558,-1.0345;-2.6038,1.4675,2.0746;-3.6753,2.1069,-.732;-5.4078,3.2098,.7802;-5.8035,1.5206,.5262;-5.0419,2.0221,2.0569; 0.2645891 0.1407816 0.1124364 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= 1230 RedAO= T EigKep= 1.13D-06 NBF= 1230 NBsUse= 1224 1.00D-06 EigRej= 9.25D-07 NBFU= 1224 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= 1348 1348 1348 1348 1348 MxSgAt= 50 MxSgA2= 50. 1 Closed 1 1 1 -1261.46530158664 -1261.54314031299 -0.077838726343 -1261.54289348389 0.000246829096 -1261.54361548801 -0.000722004119 -1261.54365621059 -0.000040722583 -1261.54365880925 -0.000002598655 -1261.54365953451 -0.000000725264 -1261.54365967268 -0.000000138167 -1261.54365969347 -0.000000020789 -1261.54365969448 -0.000000001016 -1261.54365969434 0.000000000142 -1261.54365969458 -0.000000000235 -1261.54365969428 0.000000000294 -1261.54365969 13 1.255976757396e+03 -7.917264010027e+03 2.912603864886e+03 Using DIIS extrapolation, IDIIS= 1040. NGot= 4246732800 LenX= 4242844778 LenY= 4240922396 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. PT65869.600S 2022-06-17T22:05:59.000 -19.19881 -19.18317 -19.18228 -19.17935 -19.17919 -19.13393 -14.57656 -14.57314 -10.32552 -10.28544 -10.26257 -10.25555 -10.22517 -10.21737 -10.21591 -10.20606 -10.18651 -10.18575 -10.17049 -10.16346 -10.15836 -10.15458 -10.15358 -10.15295 -10.15275 -10.14800 -1.25656 -1.25187 -1.13652 -1.08219 -1.07752 -1.05254 -0.92133 -0.85031 -0.84302 -0.82160 -0.80207 -0.78015 -0.75253 -0.74569 -0.73312 -0.71144 -0.69780 -0.66054 -0.65227 -0.64031 -0.60803 -0.60192 -0.59153 -0.57558 -0.56507 -0.56237 -0.55800 -0.54977 -0.54705 -0.54613 -0.53745 -0.53223 -0.51670 -0.51014 -0.48095 -0.47693 -0.46645 -0.45559 -0.45002 -0.44327 -0.43644 -0.43029 -0.42353 -0.42258 -0.41538 -0.41099 -0.40081 -0.39216 -0.38667 -0.37868 -0.37620 -0.37141 -0.36353 -0.36255 -0.35236 -0.34289 -0.34174 -0.34019 -0.33943 -0.33516 -0.33257 -0.32860 -0.32596 -0.32103 -0.31473 -0.31138 -0.30822 -0.30375 -0.29429 -0.28439 -0.27675 -0.11825 -0.11083 -0.06592 -0.03800 -0.01643 0.00200 0.00964 0.01344 0.01544 0.02487 0.02748 0.03299 0.03327 0.03525 0.04234 0.04776 0.05028 0.05275 0.05781 0.06244 0.06480 0.06808 0.07015 0.07252 0.07856 0.08046 0.08223 0.08535 0.08723 0.08903 0.09267 0.09869 0.10253 0.10485 0.10678 0.10869 0.11339 0.11504 0.11805 0.12009 0.12339 0.12492 0.12788 0.13158 0.13604 0.13680 0.14044 0.14316 0.14738 0.14847 0.15216 0.15751 0.15812 0.16091 0.16241 0.16693 0.16999 0.17210 0.17361 0.17578 0.17884 0.18036 0.18243 0.18588 0.18926 0.19085 0.19182 0.19418 0.19503 0.19706 0.19986 0.20294 0.20742 0.20930 0.20999 0.21177 0.21422 0.21552 0.21882 0.22211 0.22492 0.22598 0.22743 0.23108 0.23344 0.23466 0.23764 0.24125 0.24344 0.24524 0.24678 0.24731 0.25097 0.25337 0.25559 0.25841 0.26164 0.26311 0.26526 0.27003 0.27244 0.27499 0.27861 0.28059 0.28241 0.28440 0.28863 0.29062 0.29188 0.29533 0.29665 0.29824 0.30386 0.30628 0.30864 0.31191 0.31467 0.31691 0.31717 0.32237 0.32539 0.32846 0.33294 0.33542 0.33980 0.34208 0.34420 0.34958 0.35085 0.35234 0.35444 0.35662 0.35725 0.35833 0.36190 0.36541 0.37055 0.37820 0.38011 0.38207 0.38342 0.38452 0.38571 0.38939 0.39495 0.39918 0.40133 0.40300 0.40737 0.40940 0.41155 0.41342 0.41611 0.42044 0.42153 0.42819 0.42871 0.43211 0.43690 0.43858 0.44374 0.44701 0.45118 0.45590 0.46143 0.46459 0.46707 0.47015 0.47322 0.47607 0.48169 0.48445 0.48778 0.48967 0.49402 0.49824 0.50297 0.50634 0.50821 0.51316 0.51555 0.51782 0.52108 0.52724 0.53163 0.53823 0.53906 0.54603 0.54730 0.55101 0.55883 0.55940 0.56468 0.56551 0.57057 0.57228 0.57737 0.57924 0.58494 0.58796 0.58935 0.59432 0.59875 0.60163 0.60334 0.60577 0.61096 0.61548 0.61767 0.62065 0.62124 0.62487 0.62898 0.63010 0.63098 0.63635 0.64277 0.64658 0.64774 0.64868 0.65555 0.65859 0.66485 0.66511 0.66878 0.67462 0.67767 0.68223 0.68423 0.68668 0.69475 0.69763 0.69911 0.70146 0.70334 0.70348 0.71108 0.71272 0.71768 0.71910 0.72327 0.72701 0.73289 0.73584 0.74054 0.74389 0.74731 0.75092 0.75267 0.76003 0.76154 0.76345 0.76630 0.77165 0.77572 0.78265 0.78673 0.78936 0.79314 0.79977 0.80857 0.81124 0.81508 0.81922 0.82213 0.83094 0.83348 0.83682 0.84074 0.84287 0.84841 0.85743 0.86227 0.86393 0.86892 0.86984 0.87571 0.88082 0.88281 0.89329 0.89980 0.90183 0.91207 0.91534 0.91909 0.92615 0.92756 0.93531 0.94365 0.94919 0.95204 0.95515 0.96583 0.96815 0.97216 0.97551 0.98213 0.98401 0.98921 1.00253 1.00517 1.00562 1.01100 1.01439 1.02046 1.02870 1.03235 1.03386 1.03633 1.03762 1.04572 1.04856 1.05293 1.05455 1.05691 1.06232 1.06808 1.06935 1.07768 1.08056 1.08386 1.08708 1.09215 1.09536 1.09934 1.10513 1.10712 1.11317 1.11624 1.12169 1.12377 1.12582 1.12777 1.12963 1.13661 1.13932 1.14162 1.15015 1.15270 1.15396 1.15853 1.16279 1.16519 1.17366 1.17466 1.18217 1.18304 1.18541 1.19055 1.19208 1.19833 1.20026 1.20159 1.20769 1.21297 1.21677 1.22192 1.22805 1.23150 1.23506 1.24115 1.24316 1.24673 1.25003 1.25475 1.26254 1.26262 1.26417 1.26744 1.27645 1.27858 1.28373 1.29080 1.29337 1.29957 1.30197 1.30906 1.31004 1.31622 1.32086 1.32219 1.32781 1.32999 1.33252 1.33708 1.34097 1.34341 1.34670 1.35033 1.35535 1.36149 1.36336 1.37118 1.37355 1.37782 1.38030 1.38691 1.39024 1.39700 1.39875 1.40501 1.40907 1.41320 1.41602 1.42177 1.42788 1.43147 1.43431 1.44068 1.44518 1.44652 1.45217 1.45455 1.46133 1.46274 1.46509 1.47340 1.47846 1.48552 1.48924 1.50177 1.50288 1.50861 1.51112 1.51374 1.51944 1.52336 1.52724 1.53165 1.53587 1.54208 1.54653 1.55251 1.55885 1.56066 1.56323 1.56791 1.57134 1.57314 1.57681 1.58152 1.59074 1.59245 1.59983 1.60424 1.61226 1.61579 1.61764 1.62416 1.62500 1.63092 1.63257 1.63993 1.65093 1.65474 1.66742 1.67132 1.67385 1.67922 1.68191 1.68547 1.69095 1.69459 1.70738 1.71296 1.71394 1.71986 1.72324 1.74075 1.74309 1.74785 1.75310 1.75583 1.76570 1.77204 1.77693 1.79153 1.79928 1.80529 1.81415 1.82159 1.82348 1.83105 1.83539 1.85442 1.85850 1.87082 1.87149 1.87705 1.88337 1.89065 1.90193 1.91050 1.91955 1.92632 1.93357 1.93640 1.95034 1.96085 1.96484 1.97681 1.97872 1.98514 1.98833 1.99992 2.01397 2.02415 2.02739 2.03130 2.03355 2.04417 2.04743 2.05721 2.06684 2.07296 2.07651 2.08084 2.08914 2.09173 2.11361 2.11742 2.12251 2.13150 2.13623 2.14732 2.14873 2.16038 2.17024 2.17510 2.18253 2.19299 2.20192 2.21609 2.21822 2.22808 2.23833 2.24338 2.24991 2.25600 2.26604 2.28762 2.29049 2.29502 2.29960 2.30818 2.31680 2.32544 2.33607 2.34327 2.34507 2.36322 2.36787 2.37581 2.38595 2.39628 2.39807 2.40894 2.42297 2.43265 2.44007 2.44242 2.45531 2.47502 2.47687 2.50941 2.51309 2.52518 2.52919 2.53730 2.54765 2.55551 2.56637 2.57515 2.58517 2.60856 2.63880 2.64584 2.66605 2.68536 2.69302 2.70169 2.70565 2.71237 2.72625 2.74298 2.74743 2.75560 2.76293 2.77720 2.78875 2.79733 2.80415 2.81012 2.81487 2.82411 2.83837 2.84548 2.84863 2.85855 2.87061 2.87186 2.88014 2.88559 2.89315 2.90338 2.90521 2.91823 2.92227 2.92959 2.93396 2.94035 2.94865 2.95317 2.95807 2.96225 2.96912 2.97765 2.98787 2.99022 3.00341 3.00875 3.01098 3.01834 3.02365 3.03419 3.04105 3.04397 3.04850 3.05590 3.06677 3.07746 3.07860 3.08206 3.09502 3.09905 3.10850 3.11862 3.12027 3.12399 3.13914 3.14845 3.15167 3.16055 3.16521 3.16981 3.17572 3.18076 3.18493 3.19506 3.19975 3.20990 3.21435 3.21871 3.22724 3.23369 3.24181 3.24557 3.24778 3.25655 3.26005 3.26371 3.26686 3.27111 3.27362 3.29052 3.29693 3.29831 3.30806 3.31271 3.31796 3.32350 3.32767 3.33309 3.33874 3.34472 3.34539 3.35266 3.36386 3.36789 3.36858 3.37405 3.38581 3.39596 3.39983 3.40260 3.41053 3.41405 3.41983 3.42472 3.42761 3.43655 3.44141 3.44314 3.45105 3.45599 3.46051 3.46814 3.47543 3.47651 3.48447 3.49414 3.49815 3.51202 3.52192 3.52670 3.53438 3.54780 3.55350 3.55746 3.56054 3.56756 3.57281 3.58624 3.58715 3.59630 3.60728 3.61260 3.62889 3.63680 3.64152 3.64610 3.65138 3.65365 3.66469 3.67554 3.68104 3.69001 3.69544 3.69924 3.70563 3.71802 3.73101 3.75138 3.75692 3.76510 3.76999 3.77636 3.79012 3.79988 3.81078 3.82178 3.83139 3.84336 3.85214 3.85684 3.86335 3.86903 3.88505 3.89397 3.90126 3.91497 3.92135 3.92619 3.93615 3.94428 3.94976 3.95729 3.96401 3.97533 3.98024 3.98463 3.99441 4.01013 4.01507 4.02640 4.03687 4.04329 4.04371 4.06400 4.07820 4.09182 4.10001 4.10679 4.11681 4.12257 4.13937 4.15085 4.15596 4.16270 4.17453 4.19392 4.19692 4.20521 4.20588 4.22119 4.22281 4.23566 4.25409 4.25926 4.26138 4.28176 4.28511 4.29325 4.30790 4.31064 4.32523 4.33024 4.33229 4.34126 4.34519 4.35465 4.35982 4.36117 4.36355 4.37531 4.37759 4.38154 4.38867 4.39369 4.39860 4.40790 4.42152 4.42312 4.42369 4.44248 4.44849 4.45361 4.45890 4.46112 4.47525 4.49141 4.49934 4.51827 4.52528 4.53091 4.54438 4.54748 4.55820 4.56154 4.56336 4.56805 4.57319 4.58645 4.59160 4.60419 4.61622 4.61957 4.62502 4.62809 4.63365 4.64128 4.65106 4.66805 4.67881 4.69295 4.69783 4.70026 4.70885 4.71648 4.72421 4.72839 4.73411 4.74298 4.76044 4.76951 4.77645 4.77910 4.79687 4.80695 4.81453 4.83060 4.83387 4.83714 4.85456 4.86121 4.87641 4.89041 4.90454 4.93194 4.93761 4.94863 4.95875 4.97236 4.99418 5.00988 5.01939 5.02420 5.03596 5.04514 5.05587 5.07443 5.07582 5.07991 5.10025 5.10489 5.10927 5.13221 5.13668 5.15220 5.15895 5.20704 5.22251 5.26825 5.28980 5.31321 5.34423 5.35736 5.36636 5.38391 5.39873 5.41514 5.43084 5.44654 5.46136 5.46930 5.48539 5.49777 5.50326 5.52502 5.52830 5.54264 5.55359 5.55870 5.57347 5.59221 5.59773 5.60011 5.61523 5.61794 5.61820 5.63359 5.64837 5.65204 5.65914 5.67765 5.68737 5.70293 5.73294 5.75324 5.75955 5.76801 5.78021 5.78954 5.80592 5.81908 5.82400 5.82538 5.83651 5.85067 5.86304 5.87091 5.87879 5.89294 5.89408 5.92059 5.92992 5.94197 5.95362 5.98319 6.03711 6.14763 6.16330 6.23847 6.25425 6.33340 6.35124 6.35978 6.43087 6.43580 6.44128 6.52741 6.60380 6.77263 6.92287 6.94180 7.01768 7.04861 7.12113 7.12618 7.14427 7.16221 7.16557 7.17128 7.18302 7.18945 7.19503 7.20988 7.22536 7.25267 7.26826 7.27825 7.28006 7.28473 7.29847 7.31388 7.32860 7.34061 7.35289 7.35651 7.36220 7.36872 7.39789 7.41629 7.43537 7.44016 7.46334 7.48418 7.48874 7.49615 7.50743 7.52345 7.53157 7.53983 7.54563 7.55833 7.60401 7.62265 7.64237 7.66497 7.68025 7.68802 7.71293 7.74480 7.76026 7.77202 7.78373 7.80080 7.81566 7.83469 7.83728 7.85204 7.86336 7.87899 7.88433 7.91045 7.93911 7.95707 7.98269 8.00562 8.01635 8.03347 8.05776 8.07658 8.08239 8.10114 8.11489 8.12381 8.15960 8.17088 8.21374 8.23696 8.24086 8.27728 8.29968 8.31816 8.35675 8.37086 8.37376 8.41666 8.42209 8.45737 8.50013 8.51533 8.54729 8.56079 8.59900 8.64752 8.76875 8.79327 8.93939 9.36451 10.30469 10.34103 10.37416 10.43407 10.73749 10.76710 11.18154 11.19334 11.21965 11.26362 14.28439 14.28684 14.31017 14.33369 14.34132 14.34303 14.35278 14.37502 14.45428 14.47312 14.48247 14.50122 14.57370 14.58236 14.58992 14.59984 14.63161 14.65724 14.66995 14.71150 14.83383 14.86297 14.86811 14.96309 14.97876 14.99330 15.13915 15.21187 15.41866 15.43271 24.17797 24.26104 24.29100 24.35842 24.38055 24.43558 24.49805 24.53562 24.54343 24.55731 24.56900 24.94763 24.98191 25.15815 25.34863 25.40621 25.73474 25.77327 36.13268 36.15207 50.27275 50.33104 50.34011 50.50355 50.51273 50.51654 1-A. Mulliken charges: 1 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 50 O O O O O O N N 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 -0.567819 -0.447500 -0.372585 -0.451108 -0.434052 -0.714726 0.017382 -0.023630 -0.129615 -0.079424 -0.689717 -0.172362 1.001791 -0.477567 -0.496485 -0.248532 0.414739 -0.420372 0.533527 0.539074 -0.259124 -0.609694 0.578253 -0.311366 0.151188 -0.473381 0.154195 0.148837 0.161097 0.202702 0.262145 0.162271 0.136635 0.149641 0.140133 0.150726 0.158126 0.181294 0.300801 0.126185 0.181855 0.204094 0.175390 0.156797 0.146770 0.154344 0.173490 0.179472 0.180847 0.155255 -0.00000 -7.8636 -3.7814 5.3395 10.2296 -163.7193 -170.8932 -157.6114 -5.0112 5.8022 1.8815 0.3553 -6.8185 6.4632 -5.0112 5.8022 1.8815 -270.0372 -43.4979 10.9469 -32.4198 104.5531 65.5137 -5.9815 -6.8924 18.5341 -9.2478 -8942.6219 -4090.5543 -1549.1250 -21.3544 215.9053 -106.0262 10.3186 -55.1311 -1.9668 -1952.0929 -1651.7099 -918.1682 8.1012 5.5461 -29.4222 (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A) (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(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-DEPAZ04 APULGAR 2022-06-17T00:00:00.000 0 Single Point meptyldinocap CONF109 octanol 0 1 Version=EM64L-G16RevC.01 State=1-A HF=-1261.5436597 RMSD=1.829e-09 Dipole=-3.014639,-1.7888999,1.977276 Quadrupole=0.6148062,-5.4869992,4.872193,-3.9874777,3.9510369,0.5039128 PG=C01 [X(C18H24N2O6)] 0 -0.4709567419 0.8027349702 1.2827027203 0 1.4208197823 3.4669369753 -1.0431508334 0 0.5038863996 3.3617132533 0.9159351983 0 4.8959413022 -1.6942755887 -0.750937081 0 5.1839204282 0.3430212654 -1.4203301545 0 -1.2942519302 1.5008923646 -0.7167100671 0 1.1163181896 2.8652269849 -0.0218405787 0 4.5258899125 -0.5297415309 -0.8630512291 0 0.3841727411 -1.8729866882 1.5931934544 0 -0.3060576213 -2.7834082033 0.5512111708 0 -1.2656965435 -2.0457370065 -0.3851065611 0 -2.058668435 -2.9803333108 -1.3022711007 0 1.2272447152 -0.8081500062 0.9083728712 0 -2.8901886142 -2.2441991057 -2.3655799219 0 1.2059474884 -2.6979160864 2.5951081196 0 -3.8573440836 -1.1786389256 -1.8238663713 0 0.7604305837 0.5072558515 0.7579217784 0 2.4732084309 -1.1241551664 0.3687780135 0 1.5480641345 1.4645318416 0.0969648722 0 3.2196111665 -0.1601304817 -0.2988033135 0 2.7770768161 1.1440364097 -0.4526327009 0 -4.865604592 -1.708248054 -0.800916402 0 -1.4891342482 1.2642225051 0.4509307158 0 -2.7311398213 1.3669325838 1.208864944 0 -3.8666459567 1.7512909822 0.6094991561 0 -5.1883309526 1.8617581396 1.2809493972 0 -0.4008091525 -1.3596509349 2.1515851262 0 -0.8565476443 -3.5552863015 1.1018909649 0 0.4627612563 -3.3035459904 -0.0340896491 0 -0.7086147712 -1.3276537146 -0.9982485398 0 -1.9634102342 -1.4571032487 0.2202242703 0 -2.7110989592 -3.6148240132 -0.6902997976 0 -1.3655995143 -3.6611462674 -1.8119702933 0 -2.2064113454 -1.7624532928 -3.075706462 0 -3.4607027083 -2.9848788213 -2.9403025934 0 1.7207749546 -2.0542468221 3.3139001911 0 0.541636294 -3.3643842562 3.1519404493 0 1.9542702482 -3.3212903667 2.0975690248 0 -3.2862402613 -0.3572475696 -1.3797914339 0 -4.3999953289 -0.7436675852 -2.671425887 0 2.8628576859 -2.1288683462 0.4512982808 0 3.3659719271 1.890514835 -0.9653280385 0 -4.3736281689 -2.050195396 0.1145738309 0 -5.5824205004 -0.931785068 -0.5162046587 0 -5.4345724755 -2.5525084782 -1.2064489762 0 -2.6933462701 1.0999128365 2.2584318172 0 -3.8315286952 2.0004893683 -0.4485646238 0 -5.5658794042 2.8877677255 1.1974484561 0 -5.9203655318 1.2240031432 0.7720780071 0 -5.1454349122 1.5831304014 2.3356914994