Gaussian 16 GINC-CIBELES2-310 VALENTIN Optimization Deltamethrin-trans/ CONF1 octanol EM64L-G16RevC.01 10-May-2023 Gaussian 16 3-Jul-2019 EM64L-G16RevC.01 47 47 126 126 782 (5D, 7F) 6-311+G(d,p) 135 135 C1[X(C22H19Br2NO3)] C1[X(C22H19Br2NO3)] RB3LYP 6-311+G(d,p) FOpt #P B3LYP 6-311+G(d,p) EmpiricalDispersion=gd3 scrf=(smd,Solvent=n-Octanol) opt freq 486.0482999999997 0 1 AuxInfo=1/0/N:7;8;9;10;11;12;13;14;15;16;17;18;19;20;21;22;23;24;25;26;27;28;1;2;6;3;4;5;29;30;31;32;33;34;35;36;37;38;39;40;41;42;43;44;45;46;47/rA:47nBr0Br0O0O0O0N0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:-2.2228,.5115,-2.0835;-4.4157,.46,.172;2.3253,1.6364,-.0418;2.5747,1.3365,2.1547;1.4574,-3.276,.0029;4.2284,1.7439,-2.7244;-.0394,3.4277,.7364;-.5115,2.0923,.2307;.5017,2.1572,1.3618;.8021,4.2724,-.1904;-.9352,4.2586,1.6245;-1.8644,1.5997,.5223;1.8881,1.6751,1.2254;-2.6737,.9645,-.3196;3.6227,1.113,-.2631;3.6838,-.3893,-.0816;3.9459,1.4735,-1.645;2.5279,-1.1445,-.1868;4.902,-.998,.1915;2.5872,-2.5111,.0476;4.953,-2.3726,.3636;3.7956,-3.1365,.3102;.333,-2.822,.6437;.395,-2.148,1.8587;-.8895,-3.0987,.0495;-.7844,-1.753,2.4737;-2.0601,-2.7026,.6801;-2.0144,-2.0276,1.8918;-.1033,1.8155,-.7336;.1162,1.9507,2.3539;.1597,4.9936,-.6989;1.3126,3.7002,-.9613;1.5505,4.8384,.3674;-1.6851,4.7834,1.0298;-.3435,5.011,2.149;-1.4555,3.673,2.3813;-2.2453,1.7897,1.5197;4.3626,1.597,.384;1.5773,-.6842,-.4265;5.8034,-.4037,.2763;5.8992,-2.8533,.5741;3.8284,-4.2048,.4819;1.3454,-1.9313,2.3305;-.9231,-3.6205,-.8988;-.7349,-1.2315,3.4211;-3.0122,-2.9185,.2132;-2.9286,-1.7183,2.3801; g16 /usr/local/gaussian/gaussian16/g16/l1.exe "/temporal/valentin/opt-b3lyp-pople.com-5086264/Gau-1913.inp" -scrdir="/temporal/valentin/opt-b3lyp-pople.com-5086264/" chk=/home/valentin/Almacen/Insecticides/G3/Deltamethrin-trans/gaussian/octanol/ #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 Deltamethrin-trans/ CONF1 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 79 79 16 16 16 14 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 78.9183361 78.9183361 15.9949146 15.9949146 15.9949146 14.0030740 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 3 3 0 0 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 (Enter /usr/local/gaussian/gaussian16/g16/l101.exe) Berny optimization. R1 R2 R3 R4 R5 R6 R7 R8 R9 R10 R11 R12 R13 R14 R15 R16 R17 R18 R19 R20 R21 R22 R23 R24 R25 R26 R27 R28 R29 R30 R31 R32 R33 R34 R35 R36 R37 R38 R39 R40 R41 R42 R43 R44 R45 R46 R47 R48 R49 1 2 3 3 4 5 5 6 7 7 7 7 8 8 8 9 9 10 10 10 11 11 11 12 12 15 15 15 16 16 18 18 19 19 20 21 21 22 23 23 24 24 25 25 26 26 27 27 28 14 14 13 15 13 20 23 17 8 9 10 11 9 12 29 13 30 31 32 33 34 35 36 14 37 16 17 38 18 19 20 39 21 40 22 22 41 42 24 25 26 43 27 44 28 45 28 46 47 1.8761 1.879 1.341 1.4165 1.2039 1.3652 1.3715 1.1479 1.5039 1.5159 1.5101 1.5105 1.5199 1.469 1.0831 1.4743 1.0842 1.0915 1.0874 1.0916 1.0915 1.0914 1.0893 1.3294 1.0845 1.5144 1.4643 1.0956 1.3847 1.389 1.3879 1.083 1.3863 1.0829 1.3857 1.3878 1.082 1.0826 1.3908 1.3872 1.3875 1.0829 1.3875 1.0828 1.3881 1.0826 1.3877 1.0821 1.0816 estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|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 13 20 8 8 9 9 10 7 7 9 9 12 7 7 8 8 13 7 7 7 31 31 32 7 7 7 34 34 35 8 8 14 3 3 4 1 1 2 3 3 3 16 16 17 15 15 18 16 16 20 16 16 21 5 5 18 19 19 22 20 20 21 5 5 24 23 23 26 23 23 27 24 24 28 25 25 28 26 26 27 3 5 7 7 7 7 7 8 8 8 8 8 9 9 9 9 9 10 10 10 10 10 10 11 11 11 11 11 11 12 12 12 13 13 13 14 14 14 15 15 15 15 15 15 16 16 16 18 18 18 19 19 19 20 20 20 21 21 21 22 22 22 23 23 23 24 24 24 25 25 25 26 26 26 27 27 27 28 28 28 15 23 10 11 10 11 11 12 29 12 29 29 13 30 13 30 30 31 32 33 32 33 33 34 35 36 35 36 36 14 37 37 4 9 9 2 12 12 16 17 38 17 38 38 18 19 19 20 39 39 21 40 40 18 22 22 22 41 41 21 42 42 24 25 25 26 43 43 27 44 44 28 45 45 28 46 46 27 47 47 117.1866 118.5367 117.7256 119.9989 121.544 115.4748 112.5537 121.3395 114.0803 118.7171 114.9817 115.9799 124.86 114.2215 122.9606 115.8396 110.9007 109.1261 113.731 111.0084 107.0792 107.3887 108.2492 110.5877 109.8967 113.3297 107.6291 107.9864 107.1951 126.5279 116.5714 116.8915 122.3704 113.791 123.8373 113.8248 124.364 121.8051 112.6276 104.9906 111.2846 110.3937 109.8919 107.4312 119.8838 119.5797 120.5365 119.2424 121.1803 119.5628 119.4199 120.3273 120.2514 120.719 118.363 120.9092 120.6873 119.7892 119.4929 119.0876 120.1234 120.7852 122.1439 117.1489 120.6775 119.1596 121.1089 119.7312 119.4642 119.9057 120.6301 120.7347 119.0868 120.1772 120.526 119.2866 120.1857 119.4368 120.2055 120.3577 estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2 A81 A82 6 6 17 17 15 15 1 1 -1 -2 181.3786 estimate D2E/DX2|estimate D2E/DX2 179.1922 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 15 15 13 13 13 23 23 20 20 10 10 11 11 10 10 11 11 8 8 8 9 9 9 11 11 11 8 8 8 9 9 9 10 10 10 12 12 29 29 7 7 9 9 29 29 7 7 8 8 30 30 8 8 37 37 3 3 17 17 38 38 15 15 19 19 15 15 18 18 16 16 39 39 16 16 40 40 5 5 18 18 19 19 41 41 5 5 25 25 5 5 24 24 23 23 43 43 23 23 44 44 24 24 45 45 25 25 46 46 3 3 3 3 3 5 5 5 5 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 8 8 8 8 8 8 8 8 8 8 9 9 9 9 9 9 12 12 12 12 15 15 15 15 15 15 16 16 16 16 16 16 16 16 18 18 18 18 19 19 19 19 20 20 20 20 21 21 21 21 23 23 23 23 23 23 23 23 24 24 24 24 25 25 25 25 26 26 26 26 27 27 27 27 13 13 15 15 15 20 20 23 23 8 8 8 8 9 9 9 9 10 10 10 10 10 10 10 10 10 11 11 11 11 11 11 11 11 11 9 9 9 9 12 12 12 12 12 12 13 13 13 13 13 13 14 14 14 14 16 16 16 16 16 16 18 18 18 18 19 19 19 19 20 20 20 20 21 21 21 21 22 22 22 22 22 22 22 22 24 24 24 24 25 25 25 25 26 26 26 26 27 27 27 27 28 28 28 28 28 28 28 28 4 9 16 17 38 18 22 24 25 12 29 12 29 13 30 13 30 31 32 33 31 32 33 31 32 33 34 35 36 34 35 36 34 35 36 13 30 13 30 14 37 14 37 14 37 3 4 3 4 3 4 1 2 1 2 18 19 18 19 18 19 20 39 20 39 21 40 21 40 5 22 5 22 22 41 22 41 21 42 21 42 20 42 20 42 26 43 26 43 27 44 27 44 28 45 28 45 28 46 28 46 27 47 27 47 26 47 26 47 3.0535 -176.5464 72.4687 -167.3694 -51.4482 -45.8417 135.2302 -37.3678 144.6006 -140.1672 6.3365 3.323 149.8267 4.7721 146.9673 -137.5053 4.6899 96.3811 -23.0923 -145.4538 167.0272 47.5538 -74.8077 -49.7064 -169.1798 68.4587 -79.4991 161.8152 41.9157 -148.6433 92.671 -27.2285 65.7323 -52.9534 -172.8529 134.2429 -7.6108 -9.4941 -151.3478 139.094 -39.7639 -150.2017 30.9404 -6.8159 174.3262 -50.2642 130.1426 23.0077 -156.5854 166.4901 -13.1031 1.9068 -177.1425 -179.2385 1.7122 21.8334 -158.0815 -95.163 84.9221 146.5173 -33.3976 -176.8111 1.7984 3.103 -178.2875 179.6843 0.112 -0.23 -179.8024 177.4512 -3.6481 -1.1811 177.7196 -2.1771 179.8458 177.3956 -0.5816 -179.7848 -0.4853 1.2892 -179.4113 1.6507 -177.6441 179.6338 0.339 -177.9712 1.8292 -0.0077 179.7927 177.7713 -2.1944 -0.2909 179.7434 0.2207 179.7914 -179.5824 -0.0118 0.3817 179.9005 -179.653 -0.1342 -0.1318 179.8194 -179.6977 0.2534 -0.1725 179.8765 -179.6869 0.362 estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|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 814 A 782 A 1276 814 3751.5867486168 47 1.00e+00 60 F IExCor= 402 DFT=T Ex+Corr=B3LYP ExCW=0 ScaHFX= 0.200000 ScaDFX= 0.800000 0.720000 1.000000 0.810000 ScalE2= 1.000000 1.000000 IRadAn= 5 IRanWt= -1 IRanGd= 0 ICorTp=0 IEmpDi=131 NPDir=0 NMtPBC= 1 NCelOv= 1 NCel= 1 NClECP= 1 NCelD= 1 NCelK= 1 NCelE2= 1 NClLst= 1 CellRange= 0.0. One-electron integrals computed using PRISM. One-electron integral symmetry used in STVInt NBasis= 782 RedAO= T EigKep= 1.72D-06 NBF= 782 NBsUse= 779 1.00D-06 EigRej= 9.93D-07 NBFU= 779 Berny optimization. local minimum Step number 33 out of a maximum of 250 All quantities printed in internal units (Hartrees-Bohrs-Radians) 0.00079 0.00163 0.00308 0.00510 0.01103 0.01184 0.01538 0.01785 0.01949 0.02092 0.02114 0.02168 0.02223 0.02237 0.02240 0.02247 0.02247 0.02250 0.02255 0.02257 0.02259 0.02261 0.02264 0.02275 0.02289 0.02387 0.02436 0.02515 0.02865 0.03005 0.03429 0.03809 0.04072 0.04359 0.04897 0.05508 0.05624 0.05898 0.05901 0.06352 0.06654 0.07330 0.07590 0.09306 0.09764 0.10310 0.11771 0.12751 0.13678 0.15009 0.15631 0.15885 0.15945 0.15987 0.15993 0.15996 0.16000 0.16002 0.16014 0.16020 0.16060 0.16071 0.16106 0.16163 0.16242 0.16465 0.17852 0.19079 0.19470 0.20454 0.20822 0.21923 0.22021 0.22091 0.22626 0.23167 0.23432 0.23541 0.24186 0.24580 0.24812 0.25072 0.25182 0.25738 0.26042 0.26734 0.28862 0.30606 0.30920 0.31286 0.31690 0.33867 0.34173 0.34614 0.34640 0.34644 0.34703 0.35051 0.35188 0.35484 0.35506 0.35570 0.35641 0.35651 0.35662 0.35671 0.35689 0.35709 0.35762 0.35813 0.35838 0.36459 0.37296 0.39674 0.40552 0.42519 0.43021 0.43401 0.44371 0.46925 0.47353 0.47599 0.47754 0.47785 0.47884 0.47899 0.49032 0.49806 0.51376 0.56081 0.61116 0.75114 1.01943 1.35653 3.05432 -2.62500317e-09 R1 R2 R3 R4 R5 R6 R7 R8 R9 R10 R11 R12 R13 R14 R15 R16 R17 R18 R19 R20 R21 R22 R23 R24 R25 R26 R27 R28 R29 R30 R31 R32 R33 R34 R35 R36 R37 R38 R39 R40 R41 R42 R43 R44 R45 R46 R47 R48 R49 A1 A2 A3 A4 A5 A6 A7 A8 A9 A10 A11 A12 A13 A14 A15 A16 A17 A18 A19 A20 A21 A22 A23 A24 A25 A26 A27 A28 A29 A30 A31 A32 A33 A34 A35 A36 A37 A38 A39 A40 A41 A42 A43 A44 A45 A46 A47 A48 A49 A50 A51 A52 A53 A54 A55 A56 A57 A58 A59 A60 A61 A62 A63 A64 A65 A66 A67 A68 A69 A70 A71 A72 A73 A74 A75 A76 A77 A78 A79 A80 A81 A82 D1 D2 D3 D4 D5 D6 D7 D8 D9 D10 D11 D12 D13 D14 D15 D16 D17 D18 D19 D20 D21 D22 D23 D24 D25 D26 D27 D28 D29 D30 D31 D32 D33 D34 D35 D36 D37 D38 D39 D40 D41 D42 D43 D44 D45 D46 D47 D48 D49 D50 D51 D52 D53 D54 D55 D56 D57 D58 D59 D60 D61 D62 D63 D64 D65 D66 D67 D68 D69 D70 D71 D72 D73 D74 D75 D76 D77 D78 D79 D80 D81 D82 D83 D84 D85 D86 D87 D88 D89 D90 D91 D92 D93 D94 D95 D96 D97 D98 D99 D100 D101 D102 D103 D104 D105 D106 D107 D108 D109 3.61427 3.62039 2.56976 2.71733 2.29211 2.61171 2.63219 2.17654 2.86253 2.89672 2.86627 2.86726 2.89948 2.78121 2.04441 2.78752 2.04651 2.06807 2.05767 2.06907 2.06860 2.06760 2.06133 2.51865 2.04988 2.88226 2.77625 2.06687 2.62755 2.63762 2.63371 2.04320 2.63301 2.04936 2.63010 2.63402 2.04842 2.04753 2.63560 2.62731 2.63259 2.04742 2.63485 2.04769 2.63716 2.04940 2.63405 2.04792 2.04721 2.04323 2.07304 2.05242 2.09671 2.10681 2.01839 1.97107 2.13509 1.98904 2.08239 1.98766 2.01786 2.16483 2.00461 2.12970 2.03811 1.93976 1.90499 1.97041 1.92551 1.88614 1.88207 1.89233 1.92005 1.91494 1.97293 1.88423 1.88850 1.88070 2.20070 2.04752 2.03480 2.13698 1.97579 2.17040 1.99670 2.16781 2.11849 1.96179 1.83749 1.91781 1.94573 1.91457 1.88376 2.09292 2.08388 2.10638 2.07937 2.11116 2.09242 2.08290 2.09870 2.10158 2.11952 2.05115 2.11186 2.10585 2.09096 2.08612 2.07906 2.08445 2.11957 2.11679 2.04962 2.11569 2.07721 2.09598 2.10996 2.08008 2.08348 2.11958 2.10254 2.08300 2.09764 2.10114 2.08401 2.09795 2.08967 2.09657 2.09692 3.16259 3.12273 0.02420 -3.11082 1.42354 -2.73821 -0.71382 -0.62982 2.55023 -0.83803 2.35323 -2.45530 0.11506 0.06269 2.63304 0.06277 2.54851 -2.41550 0.07024 1.60867 -0.48922 -2.60951 2.83604 0.73814 -1.38214 -0.95247 -3.05036 1.11254 -1.43081 2.78194 0.68237 -2.63994 1.57281 -0.52677 1.11404 -0.95640 -3.05597 2.33829 -0.14666 -0.14471 -2.62965 2.44527 -0.67567 -2.58854 0.57371 -0.11645 3.04581 -0.91633 2.23198 0.34286 -2.79201 2.86039 -0.27449 0.03227 -3.08787 -3.12984 0.03319 0.24400 -2.89501 -1.81445 1.32971 2.38319 -0.75582 -3.10552 0.01285 0.03346 -3.13135 3.14082 0.00379 0.00183 -3.13521 3.13566 -0.04573 0.01703 3.11883 -0.02585 3.14002 3.11117 -0.00614 3.12553 -0.03056 0.02223 -3.13386 0.01397 -3.11283 3.13135 0.00455 -3.09845 0.05164 -0.00841 -3.14150 3.09326 -0.05807 0.00130 3.13316 0.00886 -3.13732 -3.14130 -0.00430 0.00543 3.13265 -3.12621 0.00100 -0.00230 -3.13614 -3.13926 0.01008 -0.00495 3.12890 -3.13205 0.00179 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 -0.00001 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 -0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00001 0.00001 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 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 -0.00001 -0.00000 0.00001 -0.00000 0.00002 -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 -0.00000 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 -0.00001 0.00001 -0.00000 0.00000 -0.00000 0.00001 0.00001 -0.00000 -0.00001 0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00003 0.00000 -0.00000 0.00002 0.00000 -0.00001 -0.00001 -0.00000 0.00000 -0.00001 0.00001 0.00000 0.00003 -0.00002 0.00001 -0.00002 0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00001 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00001 -0.00001 0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00003 -0.00000 0.00001 0.00001 0.00001 -0.00000 -0.00001 0.00002 -0.00001 0.00000 0.00000 -0.00001 0.00001 -0.00001 0.00000 -0.00004 0.00003 0.00001 -0.00000 -0.00000 0.00001 -0.00000 0.00000 0.00000 0.00003 -0.00002 -0.00001 0.00000 0.00002 -0.00002 0.00001 -0.00000 -0.00000 0.00001 -0.00001 0.00000 0.00000 -0.00000 0.00000 -0.00001 0.00001 -0.00000 0.00000 -0.00001 0.00004 0.00007 -0.00010 -0.00010 -0.00010 -0.00056 -0.00053 0.00050 0.00050 -0.00002 -0.00000 -0.00000 0.00001 0.00000 0.00002 0.00003 0.00005 -0.00007 -0.00007 -0.00007 -0.00007 -0.00006 -0.00006 -0.00009 -0.00009 -0.00009 -0.00020 -0.00020 -0.00019 -0.00021 -0.00021 -0.00020 -0.00018 -0.00019 -0.00018 -0.00003 -0.00001 -0.00003 -0.00001 -0.00005 -0.00003 -0.00006 -0.00004 -0.00006 -0.00004 0.00006 0.00010 0.00007 0.00011 0.00005 0.00009 0.00001 0.00002 -0.00001 0.00000 0.00036 0.00032 0.00037 0.00033 0.00036 0.00032 -0.00006 -0.00008 -0.00003 -0.00005 0.00005 0.00004 0.00002 0.00000 0.00005 0.00002 0.00007 0.00004 0.00000 -0.00001 0.00002 0.00001 -0.00004 -0.00004 -0.00001 -0.00001 -0.00001 -0.00000 0.00000 0.00000 0.00002 0.00001 0.00001 0.00000 -0.00002 -0.00002 -0.00001 -0.00002 -0.00000 -0.00001 0.00001 0.00000 0.00000 -0.00001 0.00000 -0.00001 -0.00001 0.00001 -0.00001 0.00002 0.00001 -0.00001 0.00003 0.00001 0.00001 -0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00001 0.00000 -0.00000 0.00002 -0.00000 0.00000 -0.00001 0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00001 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 0.00001 0.00001 0.00000 -0.00005 0.00002 0.00002 -0.00002 0.00005 -0.00002 -0.00002 -0.00001 -0.00002 0.00001 -0.00000 0.00002 0.00001 -0.00001 -0.00000 0.00000 0.00000 -0.00000 0.00001 -0.00001 -0.00001 0.00000 0.00001 -0.00000 -0.00001 0.00000 0.00000 0.00000 -0.00001 0.00001 -0.00001 0.00000 0.00001 0.00001 -0.00001 -0.00000 0.00001 0.00000 -0.00001 -0.00001 0.00001 -0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00001 -0.00001 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00001 0.00001 -0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00001 -0.00000 -0.00002 0.00001 0.00001 0.00000 0.00013 0.00011 -0.00012 -0.00012 0.00005 0.00001 0.00012 0.00008 0.00000 -0.00002 0.00004 0.00002 0.00008 0.00007 0.00008 0.00007 0.00007 0.00008 0.00001 0.00001 0.00002 -0.00023 -0.00023 -0.00022 -0.00020 -0.00020 -0.00019 -0.00016 -0.00017 -0.00015 -0.00000 -0.00005 0.00000 -0.00004 -0.00001 0.00002 0.00003 0.00006 0.00003 0.00006 -0.00005 -0.00007 -0.00005 -0.00007 -0.00001 -0.00003 0.00001 0.00003 -0.00002 -0.00000 -0.00002 -0.00000 -0.00002 -0.00000 -0.00001 0.00000 0.00003 0.00001 0.00001 -0.00001 -0.00002 -0.00002 -0.00001 -0.00000 -0.00003 -0.00001 -0.00001 0.00001 0.00000 0.00001 -0.00001 -0.00000 0.00002 0.00001 0.00000 -0.00001 0.00000 0.00001 -0.00000 0.00001 0.00000 0.00002 -0.00000 0.00001 -0.00001 -0.00001 0.00000 -0.00000 0.00000 0.00000 -0.00001 -0.00001 0.00000 0.00000 0.00001 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00001 -0.00001 0.00000 0.00001 -0.00000 0.00001 -0.00001 0.00000 -0.00001 0.00001 -0.00000 -0.00000 -0.00001 0.00001 0.00000 -0.00001 0.00000 -0.00000 0.00001 0.00000 -0.00000 0.00000 0.00000 -0.00001 0.00001 -0.00001 -0.00000 0.00000 0.00001 0.00000 -0.00001 0.00000 -0.00000 0.00000 -0.00001 0.00001 -0.00000 0.00000 -0.00000 0.00001 0.00001 0.00000 -0.00001 0.00000 -0.00000 0.00000 0.00001 0.00000 -0.00000 -0.00003 -0.00000 0.00001 0.00003 0.00000 -0.00006 0.00001 0.00002 -0.00002 0.00003 -0.00001 -0.00002 0.00002 -0.00004 0.00001 -0.00002 0.00002 0.00001 -0.00001 0.00000 0.00000 0.00001 -0.00001 0.00002 -0.00001 -0.00002 0.00000 0.00001 -0.00000 0.00000 -0.00001 0.00001 0.00000 -0.00001 0.00000 -0.00000 -0.00000 0.00000 -0.00002 -0.00001 0.00001 0.00002 0.00001 -0.00001 -0.00002 0.00003 -0.00001 0.00001 0.00000 -0.00001 0.00001 -0.00001 0.00000 -0.00003 0.00002 0.00000 -0.00000 -0.00000 0.00000 -0.00001 0.00001 -0.00000 0.00002 -0.00001 -0.00001 0.00000 0.00001 -0.00002 0.00000 0.00000 -0.00001 0.00000 -0.00001 0.00001 0.00001 -0.00000 -0.00000 -0.00001 0.00001 -0.00001 0.00000 -0.00001 0.00003 0.00005 -0.00009 -0.00009 -0.00010 -0.00044 -0.00043 0.00037 0.00038 0.00003 0.00000 0.00012 0.00009 0.00000 0.00000 0.00007 0.00007 0.00001 0.00001 0.00002 0.00001 0.00001 0.00002 -0.00008 -0.00008 -0.00007 -0.00042 -0.00043 -0.00041 -0.00040 -0.00041 -0.00039 -0.00034 -0.00035 -0.00033 -0.00003 -0.00006 -0.00003 -0.00005 -0.00006 -0.00001 -0.00003 0.00002 -0.00003 0.00002 0.00001 0.00003 0.00003 0.00004 0.00003 0.00005 0.00002 0.00005 -0.00003 -0.00000 0.00034 0.00032 0.00035 0.00033 0.00035 0.00032 -0.00003 -0.00008 -0.00001 -0.00005 0.00003 0.00002 0.00001 0.00000 0.00002 0.00001 0.00006 0.00005 0.00000 0.00000 0.00001 0.00001 -0.00002 -0.00003 -0.00000 -0.00002 -0.00000 0.00001 -0.00000 0.00001 0.00002 0.00003 0.00001 0.00001 -0.00002 -0.00003 -0.00001 -0.00002 0.00000 -0.00001 -0.00000 -0.00001 0.00000 -0.00001 0.00001 -0.00001 -0.00001 0.00001 -0.00000 0.00002 0.00001 -0.00001 0.00003 0.00000 3.61428 3.62037 2.56976 2.71734 2.29211 2.61172 2.63217 2.17654 2.86252 2.89673 2.86627 2.86726 2.89947 2.78122 2.04441 2.78751 2.04651 2.06807 2.05767 2.06907 2.06859 2.06760 2.06133 2.51864 2.04989 2.88225 2.77625 2.06687 2.62755 2.63762 2.63370 2.04320 2.63300 2.04936 2.63009 2.63403 2.04842 2.04753 2.63560 2.62732 2.63259 2.04742 2.63485 2.04769 2.63716 2.04940 2.63406 2.04793 2.04721 2.04321 2.07303 2.05243 2.09674 2.10681 2.01834 1.97108 2.13511 1.98902 2.08242 1.98765 2.01785 2.16485 2.00457 2.12971 2.03808 1.93978 1.90500 1.97040 1.92551 1.88614 1.88208 1.89232 1.92007 1.91493 1.97291 1.88424 1.88851 1.88069 2.20070 2.04751 2.03480 2.13698 1.97578 2.17040 1.99670 2.16781 2.11850 1.96177 1.83748 1.91782 1.94575 1.91458 1.88375 2.09290 2.08391 2.10637 2.07938 2.11116 2.09241 2.08290 2.09869 2.10158 2.11949 2.05118 2.11186 2.10585 2.09096 2.08612 2.07906 2.08446 2.11957 2.11681 2.04960 2.11568 2.07721 2.09599 2.10995 2.08008 2.08348 2.11958 2.10254 2.08299 2.09764 2.10114 2.08401 2.09794 2.08966 2.09659 2.09691 3.16259 3.12272 0.02424 -3.11077 1.42344 -2.73829 -0.71393 -0.63026 2.54981 -0.83766 2.35361 -2.45526 0.11506 0.06281 2.63313 0.06278 2.54851 -2.41543 0.07030 1.60868 -0.48922 -2.60949 2.83605 0.73815 -1.38212 -0.95255 -3.05044 1.11247 -1.43123 2.78151 0.68196 -2.64035 1.57239 -0.52716 1.11369 -0.95675 -3.05630 2.33825 -0.14671 -0.14474 -2.62971 2.44521 -0.67568 -2.58857 0.57373 -0.11647 3.04583 -0.91631 2.23202 0.34289 -2.79197 2.86042 -0.27443 0.03229 -3.08783 -3.12987 0.03319 0.24434 -2.89469 -1.81410 1.33005 2.38354 -0.75550 -3.10556 0.01277 0.03345 -3.13141 3.14085 0.00381 0.00183 -3.13521 3.13568 -0.04572 0.01710 3.11888 -0.02585 3.14002 3.11118 -0.00613 3.12552 -0.03059 0.02222 -3.13388 0.01396 -3.11282 3.13134 0.00456 -3.09843 0.05167 -0.00839 -3.14149 3.09324 -0.05810 0.00129 3.13314 0.00886 -3.13733 -3.14130 -0.00430 0.00544 3.13264 -3.12620 0.00100 -0.00231 -3.13613 -3.13926 0.01010 -0.00494 3.12888 -3.13202 0.00180 |Maximum Force|RMS Force|Maximum Displacement|RMS Displacement| 0.000008 0.000002 0.001459 0.000265 0.000450 0.000300 0.001800 0.001200 YES YES YES YES -4.570772e-09 Optimization completed. -- Stationary point found. R1 R2 R3 R4 R5 R6 R7 R8 R9 R10 R11 R12 R13 R14 R15 R16 R17 R18 R19 R20 R21 R22 R23 R24 R25 R26 R27 R28 R29 R30 R31 R32 R33 R34 R35 R36 R37 R38 R39 R40 R41 R42 R43 R44 R45 R46 R47 R48 R49 1 2 3 3 4 5 5 6 7 7 7 7 8 8 8 9 9 10 10 10 11 11 11 12 12 15 15 15 16 16 18 18 19 19 20 21 21 22 23 23 24 24 25 25 26 26 27 27 28 14 14 13 15 13 20 23 17 8 9 10 11 9 12 29 13 30 31 32 33 34 35 36 14 37 16 17 38 18 19 20 39 21 40 22 22 41 42 24 25 26 43 27 44 28 45 28 46 47 1.9126 1.9158 1.3599 1.4379 1.2129 1.3821 1.3929 1.1518 1.5148 1.5329 1.5168 1.5173 1.5343 1.4718 1.0819 1.4751 1.083 1.0944 1.0889 1.0949 1.0947 1.0941 1.0908 1.3328 1.0848 1.5252 1.4691 1.0937 1.3904 1.3958 1.3937 1.0812 1.3933 1.0845 1.3918 1.3939 1.084 1.0835 1.3947 1.3903 1.3931 1.0834 1.3943 1.0836 1.3955 1.0845 1.3939 1.0837 1.0833 -DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-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 13 20 8 8 9 9 10 7 7 9 9 12 7 7 8 8 13 7 7 7 31 31 32 7 7 7 34 34 35 8 8 14 3 3 4 1 1 2 3 3 3 16 16 17 15 15 18 16 16 20 16 16 21 5 5 18 19 19 22 20 20 21 5 5 24 23 23 26 23 23 27 24 24 28 25 25 28 26 26 27 3 5 7 7 7 7 7 8 8 8 8 8 9 9 9 9 9 10 10 10 10 10 10 11 11 11 11 11 11 12 12 12 13 13 13 14 14 14 15 15 15 15 15 15 16 16 16 18 18 18 19 19 19 20 20 20 21 21 21 22 22 22 23 23 23 24 24 24 25 25 25 26 26 26 27 27 27 28 28 28 15 23 10 11 10 11 11 12 29 12 29 29 13 30 13 30 30 31 32 33 32 33 33 34 35 36 35 36 36 14 37 37 4 9 9 2 12 12 16 17 38 17 38 38 18 19 19 20 39 39 21 40 40 18 22 22 22 41 41 21 42 42 24 25 25 26 43 43 27 44 44 28 45 45 28 46 46 27 47 47 117.0687 118.7763 117.5952 120.1324 120.7111 115.6453 112.9343 122.3317 113.9635 119.3119 113.8843 115.6151 124.0358 114.856 122.0228 116.7749 111.1402 109.1478 112.8964 110.3235 108.0678 107.8349 108.4225 110.011 109.7182 113.0405 107.9586 108.2033 107.756 126.0907 117.3141 116.5854 122.44 113.2042 124.3546 114.4026 124.2064 121.3808 112.4022 105.2802 109.8824 111.4822 109.6966 107.9314 119.9155 119.3975 120.6869 119.1391 120.9606 119.887 119.3411 120.2466 120.4118 121.4395 117.5224 121.0007 120.6564 119.8032 119.5259 119.1216 119.4303 121.4427 121.2829 117.4343 121.22 119.0154 120.0907 120.8921 119.1798 119.3746 121.4431 120.4665 119.3472 120.1857 120.3863 119.405 120.2035 119.7293 120.1248 120.1444 -DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0 A81 6 17 15 1 -1 181.2028 -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 15 15 13 13 13 23 23 20 20 10 10 11 11 10 10 11 11 8 8 8 9 9 9 11 11 11 8 8 8 9 9 9 10 10 10 12 12 29 29 7 7 9 9 29 29 7 7 8 8 30 30 8 8 37 37 3 3 17 17 38 38 15 15 19 19 15 15 18 18 16 16 39 39 16 16 40 40 5 5 18 18 19 19 41 41 5 5 25 25 5 5 24 24 23 23 43 43 23 23 44 44 24 24 45 45 25 25 46 3 3 3 3 3 5 5 5 5 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 8 8 8 8 8 8 8 8 8 8 9 9 9 9 9 9 12 12 12 12 15 15 15 15 15 15 16 16 16 16 16 16 16 16 18 18 18 18 19 19 19 19 20 20 20 20 21 21 21 21 23 23 23 23 23 23 23 23 24 24 24 24 25 25 25 25 26 26 26 26 27 27 27 13 13 15 15 15 20 20 23 23 8 8 8 8 9 9 9 9 10 10 10 10 10 10 10 10 10 11 11 11 11 11 11 11 11 11 9 9 9 9 12 12 12 12 12 12 13 13 13 13 13 13 14 14 14 14 16 16 16 16 16 16 18 18 18 18 19 19 19 19 20 20 20 20 21 21 21 21 22 22 22 22 22 22 22 22 24 24 24 24 25 25 25 25 26 26 26 26 27 27 27 27 28 28 28 28 28 28 28 4 9 16 17 38 18 22 24 25 12 29 12 29 13 30 13 30 31 32 33 31 32 33 31 32 33 34 35 36 34 35 36 34 35 36 13 30 13 30 14 37 14 37 14 37 3 4 3 4 3 4 1 2 1 2 18 19 18 19 18 19 20 39 20 39 21 40 21 40 5 22 5 22 22 41 22 41 21 42 21 42 20 42 20 42 26 43 26 43 27 44 27 44 28 45 28 45 28 46 28 46 27 47 27 47 26 47 26 1.3868 -178.2367 81.5626 -156.8877 -40.8991 -36.0863 146.1176 -48.0158 134.83 -140.6781 6.5922 3.5919 150.8622 3.5967 146.0188 -138.3978 4.0244 92.1701 -28.0304 -149.5138 162.493 42.2925 -79.1909 -54.5723 -174.7729 63.7438 -81.9791 159.3936 39.0968 -151.2575 90.1153 -30.1815 63.8296 -54.7976 -175.0944 133.9741 -8.4028 -8.2912 -150.668 140.1036 -38.7128 -148.3126 32.871 -6.6718 174.5118 -52.5016 127.8833 19.6444 -159.9706 163.8882 -15.7269 1.8491 -176.9221 -179.3269 1.9019 13.9804 -165.8721 -103.9606 76.187 136.5469 -43.3055 -177.9334 0.7362 1.9171 -179.4134 179.9559 0.2172 0.1046 -179.6341 179.66 -2.6202 0.9759 178.6956 -1.4813 179.9099 178.257 -0.3518 179.0798 -1.7509 1.2735 -179.5572 0.8003 -178.3518 179.4129 0.2609 -177.528 2.9587 -0.4816 -179.9949 177.2307 -3.3272 0.0747 179.5168 0.5078 -179.7553 -179.983 -0.2461 0.3112 179.4876 -179.1189 0.0575 -0.1317 -179.6878 -179.8663 0.5776 -0.2835 179.2725 -179.4532 -DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-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 -0.0615366630 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 0 486.0482999999997 AuxInfo=1/0/N:7;8;9;10;11;12;13;14;15;16;17;18;19;20;21;22;23;24;25;26;27;28;1;2;6;3;4;5;29;30;31;32;33;34;35;36;37;38;39;40;41;42;43;44;45;46;47/rA:47nBr0Br0O0O0O0N0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:-2.2228,.5115,-2.0835;-4.4157,.46,.172;2.3253,1.6364,-.0417;2.5747,1.3365,2.1547;1.4574,-3.276,.003;4.2284,1.7439,-2.7244;-.0394,3.4277,.7364;-.5115,2.0923,.2307;.5016,2.1572,1.3618;.8021,4.2723,-.1904;-.9352,4.2586,1.6245;-1.8644,1.5997,.5223;1.8882,1.6751,1.2254;-2.6737,.9645,-.3196;3.6227,1.113,-.2631;3.6838,-.3893,-.0816;3.9459,1.4735,-1.645;2.5279,-1.1445,-.1869;4.902,-.998,.1915;2.5872,-2.5111,.0476;4.953,-2.3726,.3636;3.7956,-3.1365,.3102;.333,-2.822,.6437;.395,-2.148,1.8587;-.8895,-3.0987,.0495;-.7844,-1.753,2.4737;-2.0601,-2.7026,.6801;-2.0144,-2.0276,1.8918;-.1033,1.8154,-.7336;.1161,1.9508,2.3539;.1597,4.9937,-.6989;1.3126,3.7002,-.9613;1.5505,4.8384,.3674;-1.6851,4.7834,1.0298;-.3435,5.011,2.149;-1.4555,3.673,2.3813;-2.2453,1.7897,1.5197;4.3626,1.597,.384;1.5773,-.6842,-.4265;5.8034,-.4037,.2763;5.8992,-2.8533,.5741;3.8284,-4.2048,.4819;1.3454,-1.9313,2.3305;-.9231,-3.6205,-.8988;-.7349,-1.2315,3.4211;-3.0122,-2.9185,.2132;-2.9286,-1.7183,2.3801; 0.000000 3.146215 0.000000 5.110704 6.846191 0.000000 6.454346 7.318764 2.230803 0.000000 5.678276 6.962727 4.988726 5.210894 0.000000 6.599057 9.206391 3.290877 5.167781 6.349483 0.000000 4.606853 5.317719 3.066823 3.635624 6.907799 5.746776 0.000000 3.283754 4.232139 2.886002 3.714448 5.722502 5.596412 1.503943 0.000000 4.690546 5.336349 2.359397 2.366365 5.681577 5.545827 1.515863 1.519876 0.000000 5.184365 6.472280 3.048007 4.154607 7.579235 4.955217 1.510055 2.579777 2.640670 0.000000 5.426597 5.352907 4.503618 4.597706 8.069989 7.204069 1.510530 2.610597 2.559151 2.512311 0.000000 2.846513 2.816196 4.227571 4.736962 5.922510 6.905286 2.591920 1.469023 2.571700 3.841976 3.024619 0.000000 5.403971 6.505744 1.340985 1.203948 5.117949 4.591530 2.650664 2.630907 1.474273 3.151168 3.847737 3.818558 0.000000 1.876130 1.879033 5.051571 5.814266 5.928926 7.350459 3.757929 2.500002 3.785835 4.799936 4.201568 1.329369 4.868521 0.000000 6.151947 8.076664 1.416491 2.644640 4.901338 2.612017 4.446078 4.277207 3.670423 4.235933 5.850849 5.564349 2.353807 6.298463 0.000000 6.301369 8.147835 2.439387 3.034665 3.646552 3.439655 5.394421 4.884228 4.323657 5.481506 6.771128 5.924724 3.032162 6.504390 1.514428 0.000000 6.258708 8.616614 2.285539 4.041926 5.609557 1.147950 5.037088 4.875405 4.622952 4.453476 6.501657 6.202636 3.537598 6.770204 1.464315 2.446066 0.000000 5.376723 7.135607 2.792031 3.411746 2.392832 4.203920 5.324242 4.459671 4.171967 5.685104 6.668371 5.227348 3.217695 5.614471 2.510096 1.384708 3.315268 0.000000 7.630070 9.431133 3.692452 3.836715 4.134091 4.058789 6.655857 6.233549 5.539705 6.688194 7.984863 7.255424 4.159039 7.842478 2.509864 1.388965 3.224189 2.408539 0.000000 6.067529 7.608163 4.156774 4.386777 1.365152 5.336874 6.530129 5.552190 5.279236 7.018477 7.792514 6.077878 4.404559 6.316048 3.781942 2.391935 4.537481 1.387904 2.769227 0.000000 8.111677 9.789444 4.810595 4.756258 3.628445 5.196728 7.661986 7.057869 6.428897 7.854487 8.957336 7.891818 5.149752 8.352849 3.783104 2.396411 4.454408 2.773530 1.386318 2.390795 0.000000 7.433677 8.965452 5.006646 4.990000 2.362449 5.763150 7.614241 6.774750 6.322936 8.006424 8.876663 7.383179 5.256147 7.685501 4.291471 2.777267 5.009796 2.412948 2.410716 1.385710 1.387780 0.000000 5.008241 5.791750 4.931152 4.959903 1.371463 6.882203 6.261427 5.003385 5.033564 7.158580 7.259846 4.939063 4.793780 4.930117 5.208516 4.203766 6.061603 2.884694 4.940374 2.352315 4.650225 3.492781 0.000000 5.428416 5.726255 4.653998 4.120685 2.417632 7.130654 5.704107 4.631693 4.335164 6.751720 6.547488 4.575613 4.152906 4.883669 5.055157 4.204030 6.164506 3.121024 4.941187 2.866652 4.802193 3.865074 1.390805 0.000000 4.400128 5.011338 5.724039 6.008603 2.354036 7.572148 6.617280 5.207911 5.593092 7.566474 7.524191 4.821701 5.646891 4.453027 6.180346 5.317256 6.867193 3.943822 6.162406 3.526046 5.895836 4.692512 1.387204 2.413998 0.000000 5.288214 4.835441 5.242675 4.574913 3.667391 8.023456 5.514783 4.460033 4.263831 6.776351 6.073199 4.026761 4.522441 4.330918 5.926796 5.324821 7.053412 4.291881 6.173646 4.222369 6.144450 5.250805 2.395863 1.387538 2.774697 0.000000 4.241974 3.975994 6.211240 6.322128 3.627723 8.420603 6.454949 5.058744 5.535793 7.589406 7.114458 4.309569 5.920299 3.850098 6.909648 6.238909 7.675870 4.922346 7.184436 4.694117 7.028034 5.883433 2.396423 2.779300 1.387467 2.397095 0.000000 4.721597 3.861622 5.999675 5.696081 4.144793 8.631616 5.915727 4.689518 4.911644 7.208126 6.383815 3.880108 5.420670 3.778581 6.803239 6.248776 7.764820 5.072775 7.196371 4.980908 7.141346 6.122639 2.774704 2.412641 2.409721 1.388124 1.387713 0.000000 2.831026 4.610235 2.531542 3.967784 5.376005 4.767773 2.182721 1.083121 2.207636 2.674170 3.495974 2.173750 2.797050 2.739070 3.820777 4.430351 4.164604 3.997917 5.815896 5.154475 6.656589 6.388493 4.857293 4.762133 5.037894 4.846106 5.122519 5.031312 0.000000 5.218511 5.246026 3.273866 2.541902 5.886015 6.537759 2.195899 2.218572 1.084230 3.511935 2.638878 2.720397 2.118851 3.987934 4.454980 4.912769 5.557583 4.674661 6.022927 5.597636 6.785880 6.602653 5.074526 4.137987 5.640837 3.813545 5.402872 4.536526 3.098307 0.000000 5.261479 6.499775 4.048749 5.229692 8.400244 5.587292 2.133502 3.119689 3.522572 1.091536 2.671502 4.136082 4.207528 4.940256 5.219384 6.463433 5.255655 6.599009 7.692976 7.922864 8.852485 8.963100 7.932011 7.589489 8.194348 7.514915 8.127786 7.793350 3.189260 4.310535 0.000000 4.891473 6.678120 2.475962 4.109698 7.044077 3.929054 2.187287 2.708062 2.904372 1.087361 3.471395 4.087365 3.035507 4.877168 3.538086 4.808376 3.515688 5.054485 6.023794 6.420563 7.203297 7.383962 6.787865 6.557200 7.217810 6.777508 7.420608 7.212298 2.368353 3.934851 1.752419 0.000000 6.242323 7.402984 3.319664 4.062839 8.123123 5.128947 2.157285 3.436772 3.045891 1.091638 2.845144 4.708979 3.294950 5.772589 4.309316 5.663991 4.594582 6.087437 6.732509 7.429150 7.973433 8.285065 7.761431 7.236651 8.309772 7.303057 8.366611 7.885048 3.617389 3.787095 1.759353 1.765630 0.000000 5.313300 5.185012 5.209096 5.593926 8.711160 7.635574 2.152347 3.042734 3.433479 2.817071 1.091497 3.228937 4.740043 4.169226 6.581541 7.537679 7.058231 7.373561 8.804390 8.510451 9.783508 9.658192 7.878078 7.284157 7.982625 6.754323 7.503521 6.873254 3.797466 3.608551 2.536906 3.758209 3.303151 0.000000 6.456869 6.418929 4.828000 4.692306 8.747760 7.438188 2.143603 3.496713 3.078609 2.707546 1.091420 4.073842 4.118457 5.281823 6.061684 7.096301 6.731132 7.182681 8.213114 8.341893 9.260594 9.321733 8.004928 7.202840 8.394842 6.786092 8.037587 7.238747 4.310332 3.101322 2.892101 3.759688 2.606047 1.761854 0.000000 5.524283 4.895599 4.930804 4.663996 7.901274 7.880085 2.184356 2.831051 2.677176 3.474069 1.089269 2.814534 4.062972 4.014278 6.271758 6.998559 7.086920 6.758010 8.187262 7.748086 9.038227 8.844904 6.957197 6.130393 7.184267 5.468117 6.626229 5.748802 3.870603 2.331730 3.720271 4.340066 3.801315 1.764126 1.755168 0.000000 3.823271 2.880116 4.832360 4.882670 6.455366 7.740997 2.857084 2.181611 2.775925 4.286547 2.797008 1.084494 4.145499 2.060949 6.170116 6.516587 6.960397 5.857054 7.785848 6.634550 8.395055 7.888117 5.355607 4.753074 5.281688 3.949027 4.573758 3.842313 3.109097 2.509631 4.579502 4.739686 5.003065 3.084872 3.793349 2.216502 0.000000 7.115806 8.854178 2.081716 2.529834 5.686147 3.114704 4.780433 4.901551 4.022053 4.490505 6.057152 6.228491 2.614763 7.099630 1.095620 2.150110 2.075041 3.347797 2.657465 4.487991 4.013382 4.767939 5.986041 5.651729 7.053133 6.487009 7.734709 7.488482 4.608805 4.694478 5.511238 3.941531 4.291204 6.866185 6.076023 6.492237 6.707559 0.000000 4.314714 6.130573 2.468354 3.426405 2.629887 4.266596 4.568750 3.536084 3.525468 5.022381 5.911917 4.238104 2.896827 4.560824 2.727705 2.154779 3.427978 1.082983 3.396172 2.140629 3.856181 3.387792 2.695127 2.960211 3.484489 3.889876 4.304585 4.481008 3.027738 4.099847 5.858496 4.424874 5.579427 6.531404 6.538973 6.005565 4.951804 3.690348 0.000000 8.415832 10.256042 4.044829 4.120842 5.216549 4.012063 7.002052 6.790381 5.987087 6.862704 8.304397 7.928946 4.533347 8.607443 2.710446 2.149635 3.265840 3.389953 1.082918 3.851869 2.146451 3.391199 5.992291 5.898883 7.218655 7.074446 8.202583 8.146405 6.390113 6.496511 7.869786 6.208152 6.750922 9.140637 8.403015 8.587316 8.434349 2.467899 4.293243 0.000000 9.184369 10.841472 5.771486 5.577219 4.498327 5.899584 8.645441 8.103930 7.406750 8.794337 9.919262 8.950137 6.084338 9.427072 4.649156 3.377791 5.240343 3.855504 2.140786 3.370988 1.081981 2.138946 5.566730 5.695971 6.813405 7.034928 7.961508 8.064949 7.716068 7.725984 9.804944 8.145133 8.838325 10.772600 10.163627 9.997532 9.422570 4.711988 4.938099 2.469447 0.000000 8.089696 9.477460 6.054262 5.922516 2.591124 6.769585 8.560351 7.651895 7.233095 9.026273 9.778930 8.130295 6.236251 8.345199 5.373708 3.859662 6.064796 3.391830 3.394259 2.144253 2.153074 1.082555 3.762472 4.232522 4.865116 5.590769 6.080398 6.392671 7.292456 7.428095 9.973260 8.420359 9.326406 10.558774 10.252588 9.674066 8.596581 5.827244 4.276378 4.288486 2.474564 0.000000 6.179219 6.600559 4.395030 3.495764 2.690392 6.882583 5.759975 4.903703 4.285608 6.718271 6.634354 5.102922 3.810742 5.617982 4.602258 3.696473 5.844705 2.890407 4.253944 2.662658 4.132597 3.396677 2.159469 1.082897 3.400096 2.142022 3.862132 3.389647 5.052292 4.072089 7.650999 6.523131 7.051554 7.480836 7.147059 6.265433 5.234112 5.034051 3.034778 5.140702 4.967159 3.840778 0.000000 4.490762 5.476848 6.238723 6.791868 2.568709 7.658120 7.289158 5.837932 6.365741 8.110206 8.273345 5.491450 6.360702 4.941957 6.593536 5.686105 7.086151 4.306618 6.480602 3.801133 6.138320 4.895070 2.143531 3.392569 1.082843 3.857516 2.151407 3.393456 5.499923 6.534460 8.684272 7.654789 8.903647 8.656025 9.172124 8.014836 6.071885 7.537021 3.885484 7.548069 7.021507 4.982393 4.292710 0.000000 5.962575 5.192862 5.438811 4.376226 4.546392 8.441167 5.422117 4.612600 4.153702 6.759962 5.780097 4.206449 4.488822 4.751208 6.169184 5.701097 7.408976 4.865244 6.500735 4.904490 6.557636 5.816499 3.373978 2.134855 3.857220 1.082553 3.381273 2.146990 5.190801 3.462633 7.518433 6.907944 7.168788 6.542186 6.382760 5.065026 3.876063 6.573360 4.522123 7.302315 7.399150 6.188952 2.450852 4.940026 0.000000 4.202699 3.658629 7.021406 7.286043 4.488755 9.099015 7.027433 5.600136 6.279251 8.149781 7.603715 4.671895 6.792520 3.933948 7.778280 7.163756 8.435515 5.830920 8.143913 5.616639 7.985273 6.811950 3.374169 3.861402 2.136584 3.380996 1.082128 2.146358 5.636301 6.170764 8.572883 7.993147 9.000579 7.857941 8.587492 7.111324 4.945873 8.649054 5.144375 9.167417 8.918946 6.965672 4.944251 2.468554 4.280447 0.000000 5.039196 3.439750 6.687455 6.298242 5.226273 9.447950 6.126192 4.998276 5.274750 7.510817 6.345723 3.948767 6.004082 3.814507 7.610672 7.179777 8.581851 6.057365 8.162543 6.040947 8.161727 7.177056 3.856315 3.391588 3.390456 2.146509 2.147743 1.081612 5.492227 4.767896 8.004217 7.649372 8.191633 6.755857 7.212389 5.588886 3.675968 8.254515 5.408261 9.077493 9.081866 7.446003 4.279556 4.288530 2.476462 2.478462 0.000000 C22H19Br2NO3 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 0 486.0482999999997 AuxInfo=1/0/N:7;8;9;10;11;12;13;14;15;16;17;18;19;20;21;22;23;24;25;26;27;28;1;2;6;3;4;5;29;30;31;32;33;34;35;36;37;38;39;40;41;42;43;44;45;46;47/rA:47nBr0Br0O0O0O0N0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:2.2793,.1415,2.0823;4.3658,-.5227,-.1769;-2.0528,1.8537,-.0201;-2.4115,1.3882,-2.1721;-2.0681,-3.1149,.4274;-3.8326,2.5629,2.6555;.5688,3.1084,-.999;.8112,1.7666,-.3644;-.2051,1.8997,-1.4866;-.0844,4.1769,-.1551;1.5726,3.6745,-1.9755;2.0473,1.0141,-.6172;-1.6508,1.6886,-1.2887;2.7545,.3307,.2773;-3.4158,1.5947,.2657;-3.7463,.117,.2387;-3.6321,2.1415,1.6067;-2.7396,-.8183,.4093;-5.0599,-.2882,.0405;-3.0459,-2.1687,.3158;-5.3577,-1.6419,.0098;-4.3525,-2.5911,.1297;-.8993,-2.9343,-.2669;-.8746,-2.3831,-1.5436;.271,-3.3649,.3409;.3388,-2.2676,-2.2067;1.4754,-3.2483,-.3379;1.5164,-2.6987,-1.6115;.3872,1.6635,.6269;.1104,1.5309,-2.4562;.689,4.8184,.2712;-.6666,3.7839,.6749;-.7361,4.8097,-.7605;2.4194,4.1129,-1.4446;1.109,4.465,-2.5684;1.9603,2.9337,-2.6737;2.4282,1.0338,-1.6324;-4.076,2.137,-.4203;-1.7164,-.5138,.5918;-5.8441,.4461,-.0957;-6.3794,-1.9642,-.1416;-4.5782,-3.648,.068;-1.7843,-2.0477,-2.0259;.2378,-3.7884,1.3369;.3562,-1.8415,-3.2017;2.3868,-3.5836,.1395;2.4571,-2.6072,-2.1374; 0.1784145 0.0978475 0.0799094 -482.84482 -482.84326 -62.49775 -62.49619 -56.31814 -56.31662 -56.31419 -56.31406 -56.31260 -56.31251 -19.19523 -19.17171 -19.13082 -14.33469 -10.32374 -10.29253 -10.27204 -10.24529 -10.23985 -10.23346 -10.20848 -10.20517 -10.20140 -10.20076 -10.20032 -10.18450 -10.18427 -10.18162 -10.18044 -10.17663 -10.17579 -10.17534 -10.17363 -10.16986 -10.16192 -10.15977 -8.70770 -8.70613 -6.53937 -6.53790 -6.52606 -6.52579 -6.52437 -6.52423 -2.65034 -2.64884 -2.64645 -2.64628 -2.64487 -2.64480 -2.63569 -2.63569 -2.63404 -2.63403 -1.14709 -1.10019 -1.05249 -0.93786 -0.90853 -0.88382 -0.87361 -0.86310 -0.82107 -0.79078 -0.77465 -0.76518 -0.76001 -0.75528 -0.74091 -0.73066 -0.69680 -0.67357 -0.65069 -0.63444 -0.61728 -0.60256 -0.59635 -0.58353 -0.56589 -0.56138 -0.54221 -0.52124 -0.50869 -0.50195 -0.49567 -0.49050 -0.48878 -0.48248 -0.48041 -0.46482 -0.45700 -0.44610 -0.44063 -0.43716 -0.42998 -0.42374 -0.42111 -0.41631 -0.40687 -0.40302 -0.39788 -0.39518 -0.38689 -0.38496 -0.38423 -0.37667 -0.37521 -0.37209 -0.36724 -0.36523 -0.36253 -0.35034 -0.34794 -0.33694 -0.33349 -0.33022 -0.32035 -0.30993 -0.30556 -0.29486 -0.28704 -0.27289 -0.26346 -0.26147 -0.24125 -0.23169 -0.04204 -0.03775 -0.03358 -0.02617 -0.01679 -0.00954 -0.00697 -0.00267 0.00030 0.00395 0.00687 0.01432 0.01488 0.02054 0.02617 0.02748 0.03122 0.03441 0.03785 0.04283 0.04512 0.04902 0.05229 0.05312 0.05505 0.05890 0.06196 0.06574 0.06917 0.07256 0.07779 0.07930 0.08052 0.08179 0.08758 0.08955 0.09032 0.09391 0.09481 0.10373 0.10404 0.10718 0.10859 0.11172 0.11424 0.11618 0.11676 0.12151 0.12235 0.12493 0.12925 0.13555 0.13669 0.13866 0.14215 0.14448 0.14507 0.15064 0.15099 0.15364 0.15724 0.15864 0.16180 0.16499 0.16641 0.16956 0.17278 0.17355 0.17505 0.17982 0.18101 0.18342 0.18689 0.18835 0.18908 0.19316 0.19463 0.19926 0.20128 0.20184 0.20428 0.20653 0.21073 0.21369 0.21513 0.21622 0.21991 0.22127 0.22326 0.22659 0.22749 0.22806 0.23050 0.23412 0.23474 0.23660 0.23869 0.24172 0.24311 0.24635 0.24891 0.25028 0.25349 0.25391 0.25890 0.26042 0.26316 0.26339 0.26645 0.26750 0.26986 0.27213 0.27466 0.27606 0.27995 0.28143 0.28513 0.28924 0.29015 0.29085 0.29312 0.29858 0.30057 0.30331 0.30490 0.30640 0.31247 0.31395 0.31796 0.32214 0.32323 0.33063 0.33334 0.33769 0.34176 0.34429 0.35087 0.35365 0.35596 0.35721 0.36039 0.36369 0.36611 0.36955 0.37455 0.37634 0.38062 0.38200 0.38738 0.39149 0.39490 0.39724 0.40270 0.41656 0.41897 0.42569 0.42660 0.43090 0.43846 0.44235 0.44797 0.45027 0.46083 0.46827 0.47154 0.47733 0.47920 0.48154 0.48958 0.49319 0.50203 0.50539 0.52406 0.52633 0.53208 0.54550 0.54704 0.55084 0.55693 0.56045 0.56282 0.56766 0.56888 0.57647 0.57910 0.58268 0.58732 0.58872 0.59477 0.60334 0.60585 0.61316 0.61599 0.61650 0.61992 0.62588 0.62958 0.63520 0.63906 0.64345 0.64655 0.64764 0.65793 0.65938 0.66148 0.66423 0.66584 0.67457 0.67793 0.68146 0.68361 0.68380 0.68983 0.69151 0.69639 0.69797 0.70120 0.70674 0.70691 0.71456 0.72209 0.72285 0.72717 0.72927 0.73327 0.73435 0.73750 0.74233 0.74683 0.75198 0.75588 0.75869 0.76550 0.76979 0.77490 0.77897 0.78223 0.78401 0.78693 0.79272 0.80062 0.80612 0.80882 0.81086 0.81310 0.81774 0.82236 0.82336 0.83126 0.83403 0.84320 0.84835 0.85311 0.86002 0.86903 0.87045 0.87953 0.88731 0.89535 0.89564 0.90425 0.91181 0.91261 0.92196 0.92581 0.93119 0.93629 0.93892 0.94585 0.95188 0.95553 0.96241 0.96606 0.97330 0.98433 0.98937 0.99314 1.00006 1.00621 1.01428 1.01799 1.02357 1.03077 1.04116 1.04945 1.05791 1.05919 1.06561 1.07443 1.07913 1.08686 1.09061 1.09538 1.10431 1.11051 1.11407 1.11926 1.12810 1.13642 1.14463 1.14873 1.15798 1.16561 1.17928 1.18810 1.19844 1.21443 1.21704 1.22226 1.23289 1.26609 1.27966 1.29268 1.30074 1.31374 1.31534 1.31965 1.33816 1.34843 1.35768 1.36524 1.36577 1.38212 1.39285 1.39990 1.42316 1.42490 1.43577 1.44770 1.46556 1.47049 1.48048 1.48366 1.49388 1.50575 1.51460 1.52102 1.52564 1.53067 1.53265 1.53686 1.54542 1.55482 1.56001 1.57154 1.57335 1.57729 1.58561 1.58933 1.59011 1.60476 1.60703 1.61193 1.61661 1.62387 1.63712 1.64131 1.64954 1.66161 1.66462 1.67419 1.67612 1.68313 1.68508 1.69078 1.69974 1.71047 1.71433 1.72309 1.72889 1.73491 1.73915 1.74742 1.75769 1.76396 1.76940 1.77127 1.78013 1.78656 1.80532 1.80783 1.81758 1.82613 1.82898 1.83550 1.84596 1.84988 1.85929 1.86603 1.87458 1.89151 1.89917 1.90591 1.91345 1.91980 1.92797 1.93402 1.93772 1.94660 1.95623 1.96022 1.96633 1.97563 1.97757 1.98524 1.99618 2.00410 2.00448 2.01417 2.01546 2.02070 2.02669 2.03976 2.04586 2.05193 2.05708 2.05813 2.06217 2.07147 2.07974 2.08379 2.08643 2.09896 2.10196 2.11030 2.11309 2.12378 2.12921 2.13915 2.14455 2.16207 2.18487 2.19718 2.21039 2.21389 2.21825 2.23972 2.24102 2.25195 2.26370 2.27489 2.28156 2.29329 2.33599 2.34146 2.35176 2.35372 2.36680 2.40009 2.41396 2.42044 2.42807 2.43087 2.45439 2.46679 2.46742 2.48228 2.48889 2.49636 2.50833 2.51918 2.52709 2.53285 2.54732 2.57535 2.57764 2.61406 2.62233 2.63726 2.63852 2.64910 2.65620 2.66993 2.67417 2.67672 2.68560 2.70404 2.71441 2.72095 2.73223 2.73350 2.73664 2.74697 2.75105 2.76021 2.76490 2.77130 2.77614 2.78027 2.78334 2.79413 2.80474 2.80993 2.81793 2.82196 2.83059 2.83232 2.84584 2.84750 2.85541 2.86863 2.87212 2.88131 2.88384 2.89881 2.90734 2.91184 2.92138 2.93895 2.94129 2.95435 2.95759 2.96747 2.96858 2.98321 2.98845 3.00405 3.01711 3.03201 3.04713 3.06676 3.08318 3.09902 3.10309 3.11481 3.12357 3.13333 3.13998 3.15326 3.16306 3.18139 3.18812 3.19870 3.21318 3.22327 3.23700 3.24972 3.25377 3.28380 3.28769 3.30817 3.35356 3.36986 3.38480 3.38861 3.39399 3.41910 3.43956 3.46241 3.48343 3.54216 3.55738 3.57610 3.59464 3.62126 3.63480 3.67128 3.67589 3.70990 3.72714 3.73383 3.74944 3.77710 3.81105 3.83513 3.84465 3.86000 3.90478 3.96257 3.98432 4.00138 4.02015 4.02909 4.04424 4.09688 4.11955 4.14492 4.15198 4.16391 4.17073 4.17794 4.18154 4.18837 4.20191 4.20959 4.21584 4.23790 4.26005 4.27122 4.27486 4.32947 4.35429 4.41821 4.55166 4.56611 4.58467 4.58825 4.63885 4.85664 4.86308 5.12425 5.14199 5.16862 5.26579 5.44737 5.46399 5.69729 5.91760 5.92565 6.80220 6.82402 7.60117 7.60626 7.60844 7.66111 7.73669 7.75036 23.56565 23.60158 23.63783 23.79089 23.82448 23.89386 23.91315 23.96315 23.97093 23.97945 23.98582 23.99998 24.00602 24.02605 24.09452 24.09921 24.11327 24.12479 24.20758 24.21388 24.22343 24.38016 35.89341 48.04916 48.06928 49.94107 49.99307 50.04097 289.79466 289.80242 289.80398 289.86791 289.95396 289.968471020 .870241020 .89588 1-A. 1.1363 1.4849 -4.4676 4.8431 -183.8789 -187.5418 -203.6684 8.9694 4.8058 -13.1815 7.8175 4.1546 -11.9721 8.9694 4.8058 -13.1815 94.9730 43.3260 19.9051 93.6377 -59.9908 -51.4784 158.1004 -37.9263 -12.6137 22.8210 -8603.7922 -5589.8978 -2123.7204 119.5320 346.5987 37.0931 -219.7343 243.0810 -117.1646 -2414.1907 -2210.9484 -1374.6776 -131.4453 183.7266 131.3849 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 486.0482999999997 AuxInfo=1/0/N:7;8;9;10;11;12;13;14;15;16;17;18;19;20;21;22;23;24;25;26;27;28;1;2;6;3;4;5;29;30;31;32;33;34;35;36;37;38;39;40;41;42;43;44;45;46;47/rA:47nBr0Br0O0O0O0N0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:-2.0968,.3129,-1.9983;-4.4222,.3775,.2253;2.2815,1.5969,.0201;2.6051,1.5162,2.2514;1.4767,-3.3553,.11;4.2998,1.8747,-2.5991;-.0556,3.4757,.7135;-.5199,2.0997,.2825;.4897,2.2351,1.4299;.8146,4.2579,-.2517;-.9678,4.3632,1.5395;-1.8742,1.6002,.5695;1.8797,1.7563,1.3094;-2.6388,.8859,-.256;3.6122,1.0952,-.1933;3.6884,-.4228,-.0665;3.9823,1.5416,-1.5432;2.5209,-1.1781,-.0655;4.9354,-1.0388,.0509;2.6067,-2.5598,.0949;5.0036,-2.4255,.1676;3.8412,-3.1942,.1988;.3174,-2.8621,.704;.3459,-2.2702,1.9666;-.8786,-3.0367,.0169;-.8493,-1.8398,2.5383;-2.0687,-2.6092,.6042;-2.0583,-2.0083,1.8619;-.0833,1.7599,-.6472;.1107,2.0856,2.4333;.1774,4.8902,-.8777;1.4024,3.617,-.9069;1.4994,4.9118,.2981;-1.6803,4.8783,.8874;-.3741,5.1228,2.0571;-1.5322,3.8119,2.2928;-2.3022,1.8488,1.5347;4.303,1.5596,.5162;1.5532,-.7064,-.1656;5.841,-.4423,.0553;5.9681,-2.9118,.2577;3.8784,-4.2707,.3157;1.2884,-2.143,2.4857;-.8653,-3.493,-.9658;-.8328,-1.3752,3.5181;-3.0021,-2.7359,.0683;-2.9839,-1.667,2.3095; 0.000000 3.218085 0.000000 4.989203 6.816817 0.000000 6.451007 7.401643 2.256096 0.000000 5.538120 6.981668 5.017990 5.439756 0.000000 6.611785 9.289280 3.318154 5.150455 6.531624 0.000000 4.639341 5.376279 3.077847 3.644718 7.026751 5.701338 0.000000 3.298706 4.265872 2.858244 3.739293 5.811517 5.619825 1.514786 0.000000 4.705073 5.387825 2.367659 2.380425 5.828341 5.556902 1.532880 1.534339 0.000000 5.204777 6.535196 3.050768 4.121684 7.650560 4.830796 1.516765 2.593015 2.650493 0.000000 5.495115 5.435672 4.529870 4.623574 8.221634 7.146171 1.517287 2.627603 2.581687 2.529093 0.000000 2.881055 2.847110 4.191875 4.785335 5.999749 6.944952 2.616347 1.471752 2.594472 3.868702 3.065402 0.000000 5.369987 6.541432 1.359858 1.212933 5.265935 4.598525 2.656460 2.632553 1.475091 3.135195 3.867438 3.829273 0.000000 1.912588 1.915826 4.979146 5.846611 5.921121 7.389992 3.784173 2.500684 3.801370 4.826639 4.255361 1.332810 4.860579 0.000000 6.038370 8.077189 1.437949 2.677332 4.945691 2.620656 4.465584 4.278890 3.699199 4.222873 5.887147 5.562072 2.386747 6.254818 0.000000 6.143389 8.155160 2.462862 3.210280 3.677301 3.473638 5.461140 4.918750 4.419877 5.495667 6.867690 5.953063 3.148471 6.463923 1.525226 0.000000 6.218731 8.667108 2.310739 4.036856 5.743808 1.151776 5.013819 4.890228 4.638854 4.368228 6.478321 6.226204 3.550246 6.776952 1.469129 2.475043 0.000000 5.223215 7.121182 2.786551 3.554503 2.421124 4.347663 5.376156 4.484587 4.244084 5.700563 6.741918 5.238243 3.303373 5.560545 2.524865 1.390439 3.422805 0.000000 7.448298 9.465714 3.740351 4.098848 4.163232 3.989268 6.762342 6.297871 5.690702 6.717706 8.139092 7.321403 4.328216 7.820941 2.522785 1.395767 3.179209 2.421233 0.000000 5.895519 7.619085 4.170074 4.611393 1.382056 5.457892 6.625597 5.614479 5.408872 7.057900 7.924213 6.132695 4.542349 6.285886 3.801770 2.400606 4.625707 1.393697 2.781743 0.000000 7.912342 9.833863 4.859088 5.062837 3.647856 5.161544 7.792155 7.141380 6.609847 7.898869 9.144745 7.979439 5.343223 8.339753 3.802890 2.407368 4.439317 2.788178 1.393327 2.401698 0.000000 7.237863 9.002261 5.041652 5.284748 2.371681 5.807895 7.741891 6.859372 6.498084 8.055867 9.057468 7.469198 5.439481 7.671034 4.313352 2.788210 5.047940 2.424372 2.421720 1.391789 1.393863 0.000000 4.817810 5.760828 4.920160 5.176639 1.392894 7.014754 6.348755 5.049578 5.151515 7.201044 7.386122 4.973241 4.912952 4.869101 5.226968 4.231722 6.154208 2.878176 5.007694 2.388231 4.736969 3.575324 0.000000 5.325391 5.725153 4.742314 4.418347 2.429579 7.325134 5.894649 4.762576 4.539441 6.910617 6.775736 4.675572 4.358581 4.879518 5.163269 4.326424 6.330195 3.170619 5.123380 2.949291 4.995379 4.024340 1.394699 0.000000 4.094501 4.925123 5.608606 6.152898 2.378569 7.601346 6.601053 5.155789 5.626809 7.493359 7.555482 4.774684 5.679076 4.308098 6.106061 5.262769 6.857364 3.875340 6.147774 3.518679 5.915767 4.725946 1.390313 2.426581 0.000000 5.174114 4.799164 5.287185 4.824718 3.688306 8.167168 5.675784 4.551623 4.430164 6.909029 6.284036 4.093947 4.678659 4.294177 5.998397 5.420630 7.171961 4.310039 6.347540 4.293369 6.341870 5.413696 2.402244 1.393105 2.791225 0.000000 3.913173 3.821337 6.079240 6.448007 3.656617 8.421642 6.410207 4.967566 5.540293 7.496894 7.120520 4.214080 5.928345 3.644288 6.828718 6.194710 7.645654 4.854054 7.199288 4.703385 7.088143 5.952628 2.401523 2.793127 1.394304 2.412396 0.000000 4.504580 3.736165 5.934964 5.858410 4.168841 8.683464 5.950156 4.662371 4.968470 7.210167 6.472255 3.837462 5.475913 3.633078 6.783048 6.265490 7.790093 5.037210 7.289074 5.018834 7.274203 6.243034 2.777249 2.420683 2.419325 1.395527 1.393880 0.000000 2.823721 4.636638 2.462596 3.960911 5.401205 4.799365 2.190018 1.081854 2.206533 2.683756 3.513049 2.170984 2.771596 2.729074 3.782094 4.396260 4.168918 3.968914 5.788523 5.142707 6.637636 6.376559 4.832127 4.822680 4.907267 4.867502 4.959592 4.939261 0.000000 5.258814 5.323580 3.282556 2.564959 6.071830 6.551138 2.217682 2.241452 1.082968 3.524756 2.673913 2.765736 2.121551 4.028864 4.487780 5.033941 5.576562 4.764962 6.222117 5.768737 7.030174 6.839939 5.245233 4.387012 5.749398 4.042418 5.489681 4.668100 3.103822 0.000000 5.232557 6.537446 4.009936 5.202763 8.405543 5.389794 2.141763 3.101478 3.531637 1.094374 2.726267 4.138559 4.183598 4.934843 5.164079 6.419741 5.112102 6.555599 7.658532 7.896264 8.826350 8.940881 7.913271 7.706505 8.046850 7.616880 7.967631 7.752062 3.149583 4.339801 0.000000 4.934819 6.760332 2.390228 3.979265 7.046513 3.780710 2.184341 2.722452 2.864164 1.088870 3.487073 4.121040 2.932890 4.920795 3.428065 4.717212 3.371711 4.995178 5.922454 6.372399 7.115843 7.318631 6.763946 6.635671 7.094236 6.834935 7.286839 7.161501 2.392368 3.894993 1.767043 0.000000 6.273425 7.458588 3.417347 4.070421 8.269362 5.045778 2.157079 3.461999 3.076591 1.094903 2.815850 4.735096 3.335373 5.799990 4.389989 5.777820 4.573198 6.185705 6.875835 7.556041 8.132253 8.438086 7.873748 7.462979 8.301397 7.491301 8.330145 7.936710 3.651436 3.804677 1.769307 1.771433 0.000000 5.416966 5.311642 5.216930 5.615018 8.852314 7.545746 2.153407 3.071310 3.462599 2.811895 1.094655 3.299126 4.753776 4.262054 6.594677 7.604880 7.007647 7.432230 8.915070 8.621634 9.926629 9.804356 7.996094 7.508067 8.002959 6.967684 7.502902 6.965498 3.824882 3.660193 2.562650 3.783314 3.234005 0.000000 6.522908 6.500762 4.861480 4.681943 8.893522 7.353548 2.149301 3.508433 3.078634 2.737015 1.094127 4.107448 4.119675 5.331970 6.097201 7.194910 6.690706 7.251717 8.377357 8.471022 9.458667 9.507526 8.128137 7.428497 8.425764 6.995327 8.047714 7.329875 4.325097 3.098588 2.995223 3.769409 2.578474 1.770297 0.000000 5.565570 4.941887 4.961477 4.731680 8.073869 7.854582 2.188048 2.828037 2.705330 3.490047 1.090809 2.824583 4.102867 4.035150 6.326562 7.124127 7.090775 6.847592 8.389547 7.909540 9.281061 9.074294 7.105441 6.373850 7.246406 5.698117 6.661084 5.859861 3.867004 2.387301 3.760028 4.346003 3.791960 1.770355 1.764913 0.000000 3.857943 2.893767 4.834081 4.970458 6.587313 7.789393 2.892828 2.192691 2.820439 4.325426 2.846588 1.084752 4.188985 2.060855 6.207542 6.603855 7.004528 5.914846 7.932342 6.753284 8.573969 8.059600 5.453850 4.915813 5.310220 4.089470 4.560060 3.878674 3.113269 2.585679 4.606406 4.776206 5.036212 3.159674 3.835238 2.240855 0.000000 6.988119 8.809681 2.081757 2.428110 5.684139 3.131123 4.765263 4.858610 3.978997 4.476586 6.057114 6.177510 2.557368 7.017050 1.093740 2.155709 2.084234 3.317949 2.714379 4.474864 4.061203 4.786634 5.955800 5.694640 6.944347 6.495439 7.614804 7.416631 4.542369 4.639736 5.482361 3.830351 4.375567 6.852112 6.078326 6.502189 6.689499 0.000000 4.209526 6.085458 2.422765 3.447940 2.664382 4.486305 4.566265 3.517463 3.511292 5.019678 5.913016 4.196151 2.889130 4.485177 2.736010 2.156189 3.584917 1.081215 3.405334 2.147825 3.869306 3.399535 2.632626 2.906770 3.373059 3.790509 4.163165 4.341514 2.998787 4.078020 5.807038 4.389053 5.637572 6.538563 6.529448 5.998192 4.927898 3.627753 0.000000 8.233863 10.297313 4.102356 4.373803 5.247537 3.845682 7.110152 6.853787 6.139627 6.888521 8.464987 7.997543 4.700939 8.588913 2.719127 2.156198 3.153635 3.402801 1.084475 3.866058 2.155746 3.404815 6.065261 6.098393 7.203210 7.271805 8.219575 8.253205 6.359326 6.699380 7.834697 6.091403 6.897524 9.250493 8.579354 8.801651 8.587786 2.566223 4.301632 0.000000 8.973933 10.898598 5.828863 5.906999 4.515736 5.818511 8.791686 8.198194 7.607792 8.844443 10.132941 9.053049 6.293883 9.421619 4.670170 3.390818 5.197998 3.872157 2.148887 3.383715 1.083980 2.146410 5.668609 5.911098 6.852134 7.268288 8.050036 8.234860 7.698319 8.001039 9.782297 8.051579 9.010073 10.935316 10.393112 10.276437 9.627708 4.778384 4.953272 2.481075 0.000000 7.878294 9.513884 6.088155 6.233509 2.578503 6.814625 8.697215 7.741344 7.419608 9.080013 9.976379 8.223421 6.427069 8.330211 5.396581 3.871490 6.103178 3.398895 3.410646 2.143136 2.166213 1.083506 3.849192 4.382437 4.923581 5.761997 6.181636 6.538596 7.279500 7.686476 9.952096 8.357119 9.485746 10.720553 10.457228 9.925331 8.782614 5.849140 4.282855 4.310029 2.493346 0.000000 6.131682 6.638771 4.588299 3.895998 2.673740 7.145975 6.042965 5.111275 4.573933 6.977833 6.951053 5.261725 4.115636 5.666966 4.802431 3.902900 6.088144 2.993175 4.521953 2.761834 4.388136 3.584858 2.152737 1.083450 3.404331 2.159741 3.876531 3.406954 5.189416 4.389852 7.874884 6.685871 7.389296 7.788888 7.465904 6.592004 5.452654 5.164887 3.027146 5.433787 5.239751 3.992978 0.000000 4.131286 5.389882 6.064739 6.891020 2.580918 7.626069 7.213761 5.740747 6.355071 7.962945 8.246678 5.414431 6.345618 4.777474 6.457232 5.565119 7.012824 4.199504 6.379983 3.748422 6.071858 4.857646 2.141283 3.400196 1.083589 3.874583 2.166686 3.409338 5.320358 6.605100 8.448279 7.463100 8.822148 8.612608 9.143869 8.026532 6.070612 7.378054 3.775539 7.438020 6.966379 4.974947 4.286455 0.000000 5.905798 5.176705 5.546955 4.667339 4.568343 8.621181 5.656975 4.758419 4.375383 6.975481 6.071456 4.316478 4.694975 4.755845 6.295679 5.847862 7.570339 4.912140 6.738458 4.995243 6.811197 6.014355 3.384201 2.144241 3.875711 1.084494 3.397193 2.155355 5.266978 3.747523 7.720091 7.035560 7.438733 6.837025 6.675974 5.375575 4.060419 6.633321 4.439635 7.576409 7.697052 6.390228 2.480936 4.959023 0.000000 3.792898 3.425568 6.833174 7.367972 4.521594 9.038241 6.905243 5.439765 6.225587 7.973905 7.530006 4.508403 6.749265 3.654424 7.648172 7.080331 8.347249 5.740104 8.116887 5.611656 8.012296 6.859867 3.382131 3.876813 2.145295 3.396829 1.083715 2.153414 5.407791 6.207240 8.316418 7.791688 8.877183 7.771367 8.521750 7.069884 4.864148 8.486232 4.992463 9.135760 8.973970 7.053976 4.960196 2.491721 4.296324 0.000000 4.823324 3.254641 6.604471 6.432168 5.252109 9.470421 6.129406 4.936465 5.297736 7.489501 6.404790 3.864452 6.031082 3.635670 7.576394 7.191120 8.582919 6.015222 8.258958 6.079196 8.304353 7.305385 3.860556 3.401346 3.400612 2.153749 2.152474 1.083335 5.375841 4.865571 7.946692 7.583239 8.211376 6.823671 7.278428 5.668021 3.664133 8.168548 5.256826 9.190249 9.268127 7.605633 4.302325 4.307033 2.484543 2.483099 0.000000 C22H19Br2NO3 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 0 486.0482999999997 AuxInfo=1/0/N:7;8;9;10;11;12;13;14;15;16;17;18;19;20;21;22;23;24;25;26;27;28;1;2;6;3;4;5;29;30;31;32;33;34;35;36;37;38;39;40;41;42;43;44;45;46;47/rA:47nBr0Br0O0O0O0N0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:2.1082,-.0131,2.0817;4.3943,-.4747,-.1357;-2.034,1.7914,-.0345;-2.3869,1.6011,-2.2547;-2.0144,-3.2191,.2388;-3.9595,2.5708,2.553;.5616,3.2257,-.8581;.809,1.8289,-.3268;-.1776,2.0373,-1.4833;-.1665,4.2024,.0456;1.5937,3.8972,-1.7447;2.0658,1.1039,-.5737;-1.6242,1.7922,-1.3311;2.717,.3403,.3033;-3.4247,1.5211,.212;-3.7385,.0286,.1961;-3.708,2.1165,1.5249;-2.7036,-.8982,.2528;-5.0675,-.3912,.1213;-3.006,-2.2575,.1934;-5.3529,-1.755,.1059;-4.3253,-2.6964,.1333;-.7978,-2.9579,-.3871;-.7452,-2.4618,-1.6895;.3625,-3.2675,.3135;.4973,-2.2665,-2.2885;1.5993,-3.0753,-.3008;1.6713,-2.5729,-1.599;.3333,1.6299,.6243;.164,1.758,-2.4723;.5675,4.7707,.6252;-.8412,3.7106,.7445;-.7457,4.914,-.5519;2.384,4.3402,-1.1303;1.1213,4.7009,-2.3175;2.0579,3.2113,-2.4545;2.5184,1.2118,-1.5536;-4.041,2.0354,-.531;-1.6732,-.578,.3203;-5.8688,.3379,.0714;-6.3824,-2.0894,.0494;-4.5316,-3.7594,.0952;-1.6609,-2.2265,-2.2185;.2871,-3.6437,1.3269;.5446,-1.8772,-3.2996;2.5063,-3.3076,.2449;2.6347,-2.4141,-2.0683; 0.1758971 0.0986087 0.0795197 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= 793 793 793 793 793 MxSgAt= 47 MxSgA2= 47. NPDir=0 NMtPBC= 1 NCelOv= 1 NCel= 1 NClECP= 1 NCelD= 1 NCelK= 1 NCelE2= 1 NClLst= 1 CellRange= 0.0. One-electron integrals computed using PRISM. One-electron integral symmetry used in STVInt NBasis= 782 RedAO= T EigKep= 1.45D-06 NBF= 782 NBsUse= 779 1.00D-06 EigRej= 9.76D-07 NBFU= 779 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= 793 793 793 793 793 MxSgAt= 47 MxSgA2= 47. 1 4.47035905e-01 5.84193245e-01 -1.75768511e+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 35 35 8 8 8 7 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0.005391687 -0.003311179 -0.014388292 -0.013705493 -0.003875612 0.005635494 -0.008565753 0.005627966 -0.009516341 0.009811557 -0.004255941 0.013487198 -0.000033047 -0.011336367 -0.006192651 0.002193730 0.001832689 -0.008765514 -0.000362491 0.006825151 -0.000915620 -0.004915280 -0.003909460 -0.006778044 0.004005402 -0.003923651 0.007406755 0.002233233 0.001768513 -0.003550319 -0.002214892 0.002060438 0.003375534 0.001837034 0.001139822 0.003626762 -0.011678830 0.004369235 0.000526792 0.005054549 0.003457087 0.005177019 0.010674245 -0.001405160 -0.003321154 0.000396905 -0.000346741 0.000411488 -0.000240819 0.000660087 0.004104409 -0.004271070 0.002113452 -0.002345025 0.004481059 0.002306774 0.000620502 0.006623397 0.003789898 0.000872876 0.004402342 -0.002166404 0.001084777 0.001548540 -0.004978694 0.000078151 -0.006830546 0.003112579 0.002415126 0.003810208 0.001012592 0.003748558 -0.001602935 -0.002778966 -0.003842513 0.000141433 0.002154972 0.004103604 -0.004375037 -0.000993703 -0.002030512 -0.004189674 0.001491593 0.002349269 0.000348103 -0.000511511 0.000858520 0.001416109 -0.000597781 -0.000505806 -0.001668253 0.001306974 -0.000574005 0.001158336 -0.002389310 0.000235358 0.001371026 0.000806698 0.001737228 -0.001241624 0.000747117 -0.001702727 0.001544411 0.001289742 0.000706905 -0.000667762 -0.001139869 0.000715828 -0.000688340 -0.000269954 -0.000318277 -0.002019055 -0.000061302 0.000974004 0.000262040 0.000073261 0.001189792 0.000740465 0.000871466 0.000083336 0.001321753 -0.000646025 0.000286014 -0.001397366 -0.000749232 0.000125150 0.000850299 -0.000401461 -0.001284633 0.001464534 -0.000179973 -0.000758041 0.000041920 0.000825916 0.001261377 -0.001272950 -0.000090182 -0.000703695 -0.001183099 0.000674456 0.000295344 0.014388292 0.004021022 (Enter /usr/local/gaussian/gaussian16/g16/l716.exe) Closed 1 1 1 -6278.81397998400 -6278.81398225774 -0.000002273739 -6278.81398222666 0.000000031081 -6278.81398229486 -0.000000068199 -6278.81398229544 -0.000000000582 -6278.81398229633 -0.000000000895 -6278.81398229624 0.000000000093 -6278.81398229623 0.000000000005 -6278.81398230 8 6.267809307737e+03 -2.241416350246e+04 6.128261367348e+03 Using DIIS extrapolation, IDIIS= 1040. NGot= 4246732800 LenX= 4245379432 LenY= 4244716022 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) PT630045.100S 2023-05-11T05:21:01.000 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 Br Br O O O N C C C C C C C C C C C C C C C C C C C C C C H H H H H H H H H H H H H H H H H H H -0.010824 0.048093 0.153874 -0.231261 -0.017531 -0.321296 0.349792 -0.042444 -0.174549 -0.541853 -0.523094 -0.468117 -0.531673 0.214232 0.571812 0.656198 -0.478900 0.693702 -0.495102 -0.768875 -0.239946 -0.286419 -0.610525 0.246796 -0.185519 -0.168627 -0.032194 -0.085647 0.178651 0.203301 0.162510 0.160834 0.166978 0.172278 0.168584 0.149866 0.177441 0.252557 0.186685 0.155889 0.167127 0.163059 0.182259 0.157497 0.159472 0.160323 0.154584 -0.00000 -482.84533 -482.84440 -62.49803 -62.49713 -56.31853 -56.31765 -56.31444 -56.31434 -56.31351 -56.31345 -19.19433 -19.17114 -19.13337 -14.33629 -10.32671 -10.29399 -10.27691 -10.24809 -10.24065 -10.23555 -10.21239 -10.20818 -10.20450 -10.20388 -10.20325 -10.18659 -10.18600 -10.18324 -10.18198 -10.17981 -10.17871 -10.17867 -10.17704 -10.17369 -10.16406 -10.16113 -8.70768 -8.70677 -6.53948 -6.53864 -6.52589 -6.52574 -6.52491 -6.52483 -2.65033 -2.64946 -2.64641 -2.64633 -2.64551 -2.64547 -2.63553 -2.63552 -2.63457 -2.63456 -1.13593 -1.08838 -1.04763 -0.93661 -0.90310 -0.88024 -0.86568 -0.86071 -0.81670 -0.78811 -0.77113 -0.76508 -0.75796 -0.75497 -0.74032 -0.72874 -0.69598 -0.67284 -0.64659 -0.63017 -0.61713 -0.60260 -0.59379 -0.58174 -0.56418 -0.55904 -0.53986 -0.52062 -0.50707 -0.49663 -0.49479 -0.48904 -0.48663 -0.48059 -0.47792 -0.46194 -0.45660 -0.44697 -0.44023 -0.43597 -0.43019 -0.42129 -0.41981 -0.41520 -0.40548 -0.40179 -0.39695 -0.39504 -0.38659 -0.38533 -0.38343 -0.37686 -0.37504 -0.37110 -0.36761 -0.36424 -0.36058 -0.35088 -0.34766 -0.33629 -0.33335 -0.32989 -0.31896 -0.30917 -0.30588 -0.29590 -0.28847 -0.27240 -0.26290 -0.26181 -0.24389 -0.23325 -0.05066 -0.04071 -0.03582 -0.02686 -0.01972 -0.01385 -0.00948 -0.00648 -0.00297 0.00245 0.00672 0.01380 0.01521 0.01783 0.02585 0.02703 0.03139 0.03436 0.03810 0.04219 0.04514 0.04894 0.05194 0.05252 0.05607 0.05970 0.06164 0.06416 0.06925 0.07164 0.07763 0.07820 0.07959 0.08237 0.08631 0.08913 0.08922 0.09427 0.09515 0.10206 0.10329 0.10581 0.10682 0.11137 0.11264 0.11422 0.11761 0.12032 0.12270 0.12443 0.12953 0.13346 0.13502 0.13641 0.14026 0.14240 0.14454 0.14870 0.14979 0.15139 0.15517 0.15815 0.16095 0.16403 0.16605 0.16832 0.16955 0.17126 0.17390 0.18000 0.18076 0.18431 0.18522 0.18684 0.18974 0.19109 0.19370 0.19783 0.20098 0.20229 0.20386 0.20483 0.20822 0.21126 0.21340 0.21522 0.21736 0.22066 0.22226 0.22361 0.22599 0.22825 0.23016 0.23328 0.23389 0.23557 0.23672 0.23975 0.24430 0.24448 0.24623 0.24902 0.25206 0.25470 0.25719 0.25939 0.26110 0.26329 0.26377 0.26578 0.26727 0.26984 0.27115 0.27444 0.27774 0.28010 0.28323 0.28472 0.28982 0.29109 0.29415 0.29670 0.29736 0.30166 0.30333 0.30644 0.31066 0.31335 0.31628 0.32136 0.32284 0.32585 0.33081 0.33433 0.33873 0.34290 0.34646 0.35029 0.35216 0.35351 0.35700 0.35927 0.36233 0.36580 0.36962 0.37177 0.37741 0.38015 0.38430 0.38768 0.39186 0.39481 0.40047 0.41027 0.41255 0.41689 0.42354 0.42821 0.43462 0.44135 0.44823 0.45175 0.46187 0.46597 0.46858 0.47686 0.48107 0.48196 0.49013 0.49299 0.50059 0.50651 0.51885 0.52251 0.52882 0.54297 0.54620 0.54832 0.55112 0.55872 0.55982 0.56110 0.56751 0.57205 0.57634 0.58027 0.58248 0.58641 0.59284 0.59515 0.60306 0.60799 0.61140 0.61959 0.62718 0.62784 0.63207 0.63423 0.63773 0.64218 0.64477 0.64710 0.65283 0.65618 0.65981 0.66160 0.66392 0.66768 0.67273 0.67716 0.68135 0.68300 0.68538 0.69147 0.69360 0.69433 0.69731 0.70397 0.70592 0.71515 0.71601 0.71856 0.72400 0.72710 0.72881 0.73236 0.73714 0.73919 0.74695 0.74927 0.75579 0.75801 0.76488 0.76677 0.77205 0.77498 0.77666 0.78157 0.78806 0.78990 0.79027 0.79863 0.80178 0.80701 0.81013 0.81334 0.81968 0.82322 0.82573 0.83082 0.83691 0.84402 0.84601 0.85185 0.86227 0.86503 0.87278 0.88390 0.88618 0.89394 0.90097 0.90651 0.91556 0.92009 0.92792 0.92951 0.93357 0.93751 0.94355 0.94708 0.95543 0.95664 0.96154 0.96414 0.97713 0.98270 0.98634 1.00037 1.00614 1.01132 1.01315 1.02124 1.03609 1.03823 1.04762 1.05092 1.05828 1.06497 1.06768 1.08065 1.08198 1.08750 1.09178 1.09967 1.10994 1.11493 1.12367 1.13178 1.13565 1.14562 1.15049 1.15364 1.16191 1.17662 1.18948 1.19583 1.20493 1.21012 1.21792 1.22666 1.26147 1.27798 1.29094 1.30440 1.31138 1.31284 1.32149 1.33605 1.34245 1.35244 1.36536 1.37169 1.38263 1.39384 1.40777 1.41497 1.42554 1.43340 1.44693 1.46140 1.46879 1.47425 1.48176 1.49184 1.50299 1.50937 1.51139 1.51965 1.52707 1.52840 1.53123 1.53715 1.54627 1.55360 1.56259 1.56564 1.57124 1.57690 1.58087 1.58282 1.59628 1.60030 1.60787 1.61194 1.61353 1.62854 1.63565 1.64422 1.65121 1.65933 1.66778 1.67142 1.67636 1.68007 1.68727 1.69369 1.69691 1.70988 1.71379 1.71810 1.72401 1.73486 1.73827 1.75104 1.76014 1.76565 1.76951 1.77187 1.78122 1.79071 1.80576 1.81050 1.81885 1.82439 1.82618 1.83966 1.84273 1.85457 1.86168 1.86464 1.88590 1.89280 1.89822 1.91329 1.91784 1.92480 1.92630 1.93185 1.94058 1.94592 1.95107 1.96046 1.96909 1.97161 1.98208 1.98450 1.99821 2.00091 2.00273 2.01466 2.01745 2.01939 2.03048 2.03629 2.04395 2.04837 2.05275 2.06160 2.07271 2.07636 2.08118 2.08611 2.09349 2.10247 2.10495 2.10880 2.11864 2.11989 2.13285 2.13700 2.15396 2.18131 2.19055 2.20536 2.20961 2.21392 2.23082 2.23836 2.24331 2.26047 2.27182 2.27793 2.28960 2.32678 2.33629 2.34287 2.34361 2.35792 2.39310 2.40318 2.41268 2.42081 2.42981 2.45048 2.45957 2.46678 2.48066 2.48528 2.48983 2.50562 2.51499 2.51854 2.52840 2.54172 2.56520 2.56953 2.60103 2.61916 2.62258 2.62625 2.64160 2.64937 2.65488 2.66713 2.66871 2.68028 2.69310 2.70751 2.71440 2.72262 2.73042 2.73089 2.73951 2.74725 2.75482 2.75801 2.76448 2.76725 2.77651 2.77972 2.78614 2.79889 2.80338 2.81015 2.81534 2.82089 2.83108 2.83921 2.84774 2.85370 2.85607 2.86002 2.87347 2.87882 2.89153 2.89647 2.90615 2.91824 2.93030 2.94176 2.94668 2.95313 2.95640 2.96645 2.97791 2.98707 3.00151 3.01118 3.01654 3.02956 3.04228 3.06215 3.08229 3.08739 3.09791 3.10784 3.11329 3.12497 3.13319 3.14687 3.15841 3.16671 3.17358 3.18708 3.20395 3.22390 3.22876 3.23600 3.26678 3.27283 3.28463 3.32899 3.35486 3.36127 3.36711 3.38005 3.40640 3.42955 3.44571 3.46325 3.53320 3.54560 3.56152 3.57438 3.59720 3.62101 3.65125 3.65346 3.68680 3.70772 3.71106 3.73173 3.76721 3.80244 3.82817 3.83956 3.85245 3.89205 3.95612 3.98254 3.99737 4.01805 4.02710 4.03853 4.07807 4.10513 4.14298 4.15023 4.16061 4.16255 4.17003 4.17717 4.19040 4.19507 4.20595 4.21366 4.22680 4.24400 4.26209 4.27096 4.31080 4.32713 4.40768 4.53302 4.55497 4.55982 4.58339 4.63180 4.84327 4.85438 5.12290 5.14397 5.16733 5.24609 5.42941 5.44298 5.66493 5.87936 5.90123 6.79821 6.81020 7.59789 7.60343 7.62011 7.65943 7.74024 7.75076 23.56094 23.59857 23.63163 23.76827 23.79800 23.86926 23.89423 23.94662 23.95761 23.96583 23.96909 23.98775 23.99627 24.01566 24.07145 24.07912 24.09227 24.10247 24.18344 24.19373 24.19888 24.35039 35.88068 48.04710 48.05889 49.93284 49.98396 50.02603 289.79145 289.79882 289.81475 289.86357 289.95557 289.968331020 .868121020 .88278 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 Br Br O O O N C C C C C C C C C C C C C C C C C C C C C C H H H H H H H H H H H H H H H H H H H -0.025388 0.066080 0.154968 -0.239076 -0.031326 -0.317562 0.380731 -0.066049 -0.170208 -0.537219 -0.523441 -0.650151 -0.534151 0.429709 0.649872 0.521769 -0.553393 0.776815 -0.484641 -0.732469 -0.250567 -0.409389 -0.425914 0.137094 -0.184264 -0.192390 -0.020167 -0.082141 0.178233 0.204402 0.163698 0.158309 0.165888 0.172490 0.170385 0.150550 0.181995 0.254967 0.193737 0.159296 0.169203 0.164885 0.176713 0.159452 0.162258 0.167291 0.159118 -0.00000 6.55609354e-01 5.91469532e-01 -1.63381795e+00 ./ancestor::cml:module[@dictRef='cc:finalization']/cml:molecule[@id='mol9999'] 1.6664 1.5034 -4.1528 4.7204 -185.2530 -188.9243 -203.3988 11.6783 3.5266 -12.4304 7.2724 3.6010 -10.8734 11.6783 3.5266 -12.4304 104.0732 49.7214 25.6703 96.9924 -68.5840 -47.5966 155.3693 -42.1256 -8.2831 20.5026 -8622.9459 -5759.1775 -2067.7641 168.3907 311.2961 71.0406 -225.3287 217.9614 -105.7238 -2472.4617 -2207.6138 -1390.8027 -151.1662 176.1448 136.9410 (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A) (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A) (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A) (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(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 -6278.8139823 9.238E-9 4.28E-6 2.670706,6.6301244,-9.3008305,-8.3438922,4.635037,7.6580815 C01 [X(C22H19Br2N1O3)] -0.5513157 0.8043219 1.58055 0.000000121 -0.000001734 -0.000002278 0.000001962 0.000004399 -0.000001440 -0.000001982 -0.000001459 -0.000004711 0.000000527 0.000000020 -0.000002148 -0.000007702 -0.000000117 0.000007070 0.000002368 -0.000005947 -0.000004384 0.000004609 0.000005833 -0.000020699 0.000000854 0.000001363 0.000015601 0.000008237 -0.000003322 -0.000003811 -0.000000865 0.000001835 -0.000003661 0.000000416 0.000002398 -0.000001892 -0.000005773 -0.000007248 -0.000011785 0.000004028 0.000000853 0.000001201 0.000002770 0.000007411 0.000004767 -0.000001602 -0.000006168 -0.000000359 0.000003621 0.000000413 0.000002041 -0.000000421 -0.000004644 0.000003814 -0.000001998 -0.000002699 -0.000000018 -0.000000279 -0.000007499 0.000003111 -0.000001886 -0.000001925 0.000003832 -0.000002038 -0.000002254 0.000004068 -0.000005949 -0.000004455 0.000003726 0.000002942 -0.000000490 0.000000610 -0.000001974 0.000000025 0.000002041 -0.000005407 0.000001683 0.000004648 -0.000004358 0.000005309 0.000002819 -0.000000314 0.000000451 0.000001813 -0.000002375 0.000004668 0.000005615 0.000002230 0.000000395 -0.000001303 -0.000001842 0.000006143 -0.000002783 0.000004364 -0.000000941 -0.000005202 0.000003924 -0.000004149 -0.000004487 0.000005225 -0.000001461 -0.000004868 0.000006171 0.000004063 -0.000005378 0.000005642 0.000001803 -0.000003736 0.000003293 0.000001848 -0.000004808 0.000000318 0.000004837 -0.000001135 0.000002316 -0.000001541 -0.000002122 -0.000000447 -0.000002038 0.000002702 -0.000001020 -0.000004225 0.000001124 -0.000002784 -0.000004717 0.000004238 -0.000003690 -0.000003111 0.000006268 -0.000001618 0.000002968 0.000002838 -0.000003475 0.000000222 0.000003690 -0.000000915 0.000004513 0.000002044 -0.000002505 0.000003152 0.000002912 -0.000002717 0.000005540 0.000000416 486.0482999999997 AuxInfo=1/0/N:7;8;9;10;11;12;13;14;15;16;17;18;19;20;21;22;23;24;25;26;27;28;1;2;6;3;4;5;29;30;31;32;33;34;35;36;37;38;39;40;41;42;43;44;45;46;47/rA:47nBr0Br0O0O0O0N0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:-2.0968,.3129,-1.9983;-4.4222,.3775,.2253;2.2815,1.5969,.0201;2.6051,1.5162,2.2514;1.4767,-3.3553,.11;4.2998,1.8747,-2.5991;-.0556,3.4757,.7135;-.5199,2.0997,.2825;.4897,2.2351,1.4299;.8146,4.2579,-.2517;-.9678,4.3632,1.5395;-1.8742,1.6002,.5695;1.8797,1.7563,1.3094;-2.6388,.8859,-.256;3.6122,1.0952,-.1933;3.6884,-.4228,-.0665;3.9823,1.5416,-1.5432;2.5209,-1.1781,-.0655;4.9354,-1.0388,.0509;2.6067,-2.5598,.0949;5.0036,-2.4255,.1676;3.8412,-3.1942,.1988;.3174,-2.8621,.704;.3459,-2.2702,1.9666;-.8786,-3.0367,.0169;-.8493,-1.8398,2.5383;-2.0687,-2.6092,.6042;-2.0583,-2.0083,1.8619;-.0833,1.7599,-.6472;.1107,2.0856,2.4333;.1774,4.8902,-.8777;1.4024,3.617,-.9069;1.4994,4.9118,.2981;-1.6803,4.8783,.8874;-.3741,5.1228,2.0571;-1.5322,3.8119,2.2928;-2.3022,1.8488,1.5347;4.303,1.5596,.5162;1.5532,-.7064,-.1656;5.841,-.4423,.0553;5.9681,-2.9118,.2577;3.8784,-4.2707,.3157;1.2884,-2.143,2.4857;-.8653,-3.493,-.9658;-.8328,-1.3752,3.5181;-3.0021,-2.7359,.0683;-2.9839,-1.667,2.3095; Gaussian 16 GINC-CIBELES2-310 VALENTIN Optimization Deltamethrin-trans/ CONF1 octanol EM64L-G16RevC.01 135 C1[X(C22H19Br2NO3)] 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 0 486.0482999999997 AuxInfo=1/0/N:7;8;9;10;11;12;13;14;15;16;17;18;19;20;21;22;23;24;25;26;27;28;1;2;6;3;4;5;29;30;31;32;33;34;35;36;37;38;39;40;41;42;43;44;45;46;47/rA:47nBr0Br0O0O0O0N0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:-2.0968,.3129,-1.9983;-4.4222,.3775,.2253;2.2815,1.5969,.0201;2.6051,1.5162,2.2514;1.4767,-3.3553,.11;4.2998,1.8747,-2.5991;-.0556,3.4757,.7135;-.5199,2.0997,.2825;.4897,2.2351,1.4299;.8146,4.2579,-.2517;-.9678,4.3632,1.5395;-1.8742,1.6002,.5695;1.8797,1.7563,1.3094;-2.6388,.8859,-.256;3.6122,1.0952,-.1933;3.6884,-.4228,-.0665;3.9823,1.5416,-1.5432;2.5209,-1.1781,-.0655;4.9354,-1.0388,.0509;2.6067,-2.5598,.0949;5.0036,-2.4255,.1676;3.8412,-3.1942,.1988;.3174,-2.8621,.704;.3459,-2.2702,1.9666;-.8786,-3.0367,.0169;-.8493,-1.8398,2.5383;-2.0687,-2.6092,.6042;-2.0583,-2.0083,1.8619;-.0833,1.7599,-.6472;.1107,2.0856,2.4333;.1774,4.8902,-.8777;1.4024,3.617,-.9069;1.4994,4.9118,.2981;-1.6803,4.8783,.8874;-.3741,5.1228,2.0571;-1.5322,3.8119,2.2928;-2.3022,1.8488,1.5347;4.303,1.5596,.5162;1.5532,-.7064,-.1656;5.841,-.4423,.0553;5.9681,-2.9118,.2577;3.8784,-4.2707,.3157;1.2884,-2.143,2.4857;-.8653,-3.493,-.9658;-.8328,-1.3752,3.5181;-3.0021,-2.7359,.0683;-2.9839,-1.667,2.3095; Optimization Deltamethrin-trans/ CONF1 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 79 79 16 16 16 14 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 78.9183361 78.9183361 15.9949146 15.9949146 15.9949146 14.0030740 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 3 3 0 0 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 24.5000000 24.5000000 5.6000000 5.6000000 5.6000000 4.5500000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 (Enter /usr/local/gaussian/gaussian16/g16/l101.exe) Structure from the checkpoint file: "/home/valentin/Almacen/Insecticides/G3/Deltamethrin-trans/gaussian/octanol/CONF1/opt-b3lyp-pople.chk" Berny optimization. R1 R2 R3 R4 R5 R6 R7 R8 R9 R10 R11 R12 R13 R14 R15 R16 R17 R18 R19 R20 R21 R22 R23 R24 R25 R26 R27 R28 R29 R30 R31 R32 R33 R34 R35 R36 R37 R38 R39 R40 R41 R42 R43 R44 R45 R46 R47 R48 R49 1 2 3 3 4 5 5 6 7 7 7 7 8 8 8 9 9 10 10 10 11 11 11 12 12 15 15 15 16 16 18 18 19 19 20 21 21 22 23 23 24 24 25 25 26 26 27 27 28 14 14 13 15 13 20 23 17 8 9 10 11 9 12 29 13 30 31 32 33 34 35 36 14 37 16 17 38 18 19 20 39 21 40 22 22 41 42 24 25 26 43 27 44 28 45 28 46 47 1.9126 1.9158 1.3599 1.4379 1.2129 1.3821 1.3929 1.1518 1.5148 1.5329 1.5168 1.5173 1.5343 1.4718 1.0819 1.4751 1.083 1.0944 1.0889 1.0949 1.0947 1.0941 1.0908 1.3328 1.0848 1.5252 1.4691 1.0937 1.3904 1.3958 1.3937 1.0812 1.3933 1.0845 1.3918 1.3939 1.084 1.0835 1.3947 1.3903 1.3931 1.0834 1.3943 1.0836 1.3955 1.0845 1.3939 1.0837 1.0833 calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|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 13 20 8 8 9 9 10 7 7 9 9 12 7 7 8 8 13 7 7 7 31 31 32 7 7 7 34 34 35 8 8 14 3 3 4 1 1 2 3 3 3 16 16 17 15 15 18 16 16 20 16 16 21 5 5 18 19 19 22 20 20 21 5 5 24 23 23 26 23 23 27 24 24 28 25 25 28 26 26 27 3 5 7 7 7 7 7 8 8 8 8 8 9 9 9 9 9 10 10 10 10 10 10 11 11 11 11 11 11 12 12 12 13 13 13 14 14 14 15 15 15 15 15 15 16 16 16 18 18 18 19 19 19 20 20 20 21 21 21 22 22 22 23 23 23 24 24 24 25 25 25 26 26 26 27 27 27 28 28 28 15 23 10 11 10 11 11 12 29 12 29 29 13 30 13 30 30 31 32 33 32 33 33 34 35 36 35 36 36 14 37 37 4 9 9 2 12 12 16 17 38 17 38 38 18 19 19 20 39 39 21 40 40 18 22 22 22 41 41 21 42 42 24 25 25 26 43 43 27 44 44 28 45 45 28 46 46 27 47 47 117.0687 118.7763 117.5952 120.1324 120.7111 115.6453 112.9343 122.3317 113.9635 119.3119 113.8843 115.6151 124.0358 114.856 122.0228 116.7749 111.1402 109.1478 112.8964 110.3235 108.0678 107.8349 108.4225 110.011 109.7182 113.0405 107.9586 108.2033 107.756 126.0907 117.3141 116.5854 122.44 113.2042 124.3546 114.4026 124.2064 121.3808 112.4022 105.2802 109.8824 111.4822 109.6966 107.9314 119.9155 119.3975 120.6869 119.1391 120.9606 119.887 119.3411 120.2466 120.4118 121.4395 117.5224 121.0007 120.6564 119.8032 119.5259 119.1216 119.4303 121.4427 121.2829 117.4343 121.22 119.0154 120.0907 120.8921 119.1798 119.3746 121.4431 120.4665 119.3472 120.1857 120.3863 119.405 120.2035 119.7293 120.1248 120.1444 calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically A81 A82 6 6 17 17 15 15 1 1 -1 -2 181.2028 calculate D2E/DX2 analytically|calculate D2E/DX2 analytically 178.9191 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 15 15 13 13 13 23 23 20 20 10 10 11 11 10 10 11 11 8 8 8 9 9 9 11 11 11 8 8 8 9 9 9 10 10 10 12 12 29 29 7 7 9 9 29 29 7 7 8 8 30 30 8 8 37 37 3 3 17 17 38 38 15 15 19 19 15 15 18 18 16 16 39 39 16 16 40 40 5 5 18 18 19 19 41 41 5 5 25 25 5 5 24 24 23 23 43 43 23 23 44 44 24 24 45 45 25 25 46 46 3 3 3 3 3 5 5 5 5 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 8 8 8 8 8 8 8 8 8 8 9 9 9 9 9 9 12 12 12 12 15 15 15 15 15 15 16 16 16 16 16 16 16 16 18 18 18 18 19 19 19 19 20 20 20 20 21 21 21 21 23 23 23 23 23 23 23 23 24 24 24 24 25 25 25 25 26 26 26 26 27 27 27 27 13 13 15 15 15 20 20 23 23 8 8 8 8 9 9 9 9 10 10 10 10 10 10 10 10 10 11 11 11 11 11 11 11 11 11 9 9 9 9 12 12 12 12 12 12 13 13 13 13 13 13 14 14 14 14 16 16 16 16 16 16 18 18 18 18 19 19 19 19 20 20 20 20 21 21 21 21 22 22 22 22 22 22 22 22 24 24 24 24 25 25 25 25 26 26 26 26 27 27 27 27 28 28 28 28 28 28 28 28 4 9 16 17 38 18 22 24 25 12 29 12 29 13 30 13 30 31 32 33 31 32 33 31 32 33 34 35 36 34 35 36 34 35 36 13 30 13 30 14 37 14 37 14 37 3 4 3 4 3 4 1 2 1 2 18 19 18 19 18 19 20 39 20 39 21 40 21 40 5 22 5 22 22 41 22 41 21 42 21 42 20 42 20 42 26 43 26 43 27 44 27 44 28 45 28 45 28 46 28 46 27 47 27 47 26 47 26 47 1.3868 -178.2367 81.5626 -156.8877 -40.8991 -36.0863 146.1176 -48.0158 134.83 -140.6781 6.5922 3.5919 150.8622 3.5967 146.0188 -138.3978 4.0244 92.1701 -28.0304 -149.5138 162.493 42.2925 -79.1909 -54.5723 -174.7729 63.7438 -81.9791 159.3936 39.0968 -151.2575 90.1153 -30.1815 63.8296 -54.7976 -175.0944 133.9741 -8.4028 -8.2912 -150.668 140.1036 -38.7128 -148.3126 32.871 -6.6718 174.5118 -52.5016 127.8833 19.6444 -159.9706 163.8882 -15.7269 1.8491 -176.9221 -179.3269 1.9019 13.9804 -165.8721 -103.9606 76.187 136.5469 -43.3055 -177.9334 0.7362 1.9171 -179.4134 179.9559 0.2172 0.1046 -179.6341 179.66 -2.6202 0.9759 178.6956 -1.4813 179.9099 178.257 -0.3518 179.0798 -1.7509 1.2735 -179.5572 0.8003 -178.3518 179.4129 0.2609 -177.528 2.9587 -0.4816 -179.9949 177.2307 -3.3272 0.0747 179.5168 0.5078 -179.7553 -179.983 -0.2461 0.3112 179.4876 -179.1189 0.0575 -0.1317 -179.6878 -179.8663 0.5776 -0.2835 179.2725 -179.4532 0.1028 calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|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. 0.00112 0.00152 0.00219 0.00308 0.00446 0.00576 0.01284 0.01594 0.01700 0.01726 0.01762 0.01770 0.01802 0.01855 0.01897 0.01995 0.02049 0.02085 0.02222 0.02291 0.02332 0.02403 0.02529 0.02611 0.02622 0.02713 0.02877 0.02919 0.02971 0.02990 0.03157 0.03205 0.03979 0.04159 0.04382 0.04441 0.04571 0.04676 0.05071 0.06103 0.06229 0.06318 0.06838 0.07365 0.07652 0.08866 0.09392 0.10374 0.10690 0.10836 0.10914 0.11062 0.11182 0.11449 0.11765 0.11887 0.11923 0.12121 0.12151 0.12271 0.12387 0.12482 0.12580 0.13974 0.14091 0.14850 0.15269 0.15994 0.16870 0.17204 0.17275 0.18080 0.18148 0.18699 0.18914 0.19170 0.19312 0.19399 0.19439 0.20156 0.20649 0.22107 0.22541 0.22693 0.23502 0.24801 0.25715 0.26066 0.28111 0.29233 0.29608 0.29675 0.30219 0.31682 0.32417 0.32479 0.32907 0.32911 0.33032 0.33418 0.33488 0.33663 0.34390 0.34728 0.35116 0.35495 0.35543 0.35567 0.35605 0.35722 0.35759 0.35893 0.35951 0.36049 0.36081 0.36129 0.36387 0.36851 0.39291 0.40299 0.41093 0.43162 0.43693 0.46160 0.46336 0.46512 0.46633 0.47354 0.49255 0.50922 0.52583 0.61554 0.81950 1.25385 2.02616 Angle between quadratic step and forces= 72.48 degrees. 1 2 0.00024466 0.00000006 0.00000003 0.00000000 R1 R2 R3 R4 R5 R6 R7 R8 R9 R10 R11 R12 R13 R14 R15 R16 R17 R18 R19 R20 R21 R22 R23 R24 R25 R26 R27 R28 R29 R30 R31 R32 R33 R34 R35 R36 R37 R38 R39 R40 R41 R42 R43 R44 R45 R46 R47 R48 R49 A1 A2 A3 A4 A5 A6 A7 A8 A9 A10 A11 A12 A13 A14 A15 A16 A17 A18 A19 A20 A21 A22 A23 A24 A25 A26 A27 A28 A29 A30 A31 A32 A33 A34 A35 A36 A37 A38 A39 A40 A41 A42 A43 A44 A45 A46 A47 A48 A49 A50 A51 A52 A53 A54 A55 A56 A57 A58 A59 A60 A61 A62 A63 A64 A65 A66 A67 A68 A69 A70 A71 A72 A73 A74 A75 A76 A77 A78 A79 A80 A81 A82 D1 D2 D3 D4 D5 D6 D7 D8 D9 D10 D11 D12 D13 D14 D15 D16 D17 D18 D19 D20 D21 D22 D23 D24 D25 D26 D27 D28 D29 D30 D31 D32 D33 D34 D35 D36 D37 D38 D39 D40 D41 D42 D43 D44 D45 D46 D47 D48 D49 D50 D51 D52 D53 D54 D55 D56 D57 D58 D59 D60 D61 D62 D63 D64 D65 D66 D67 D68 D69 D70 D71 D72 D73 D74 D75 D76 D77 D78 D79 D80 D81 D82 D83 D84 D85 D86 D87 D88 D89 D90 D91 D92 D93 D94 D95 D96 D97 D98 D99 D100 D101 D102 D103 D104 D105 D106 D107 D108 D109 3.61427 3.62039 2.56976 2.71733 2.29211 2.61171 2.63219 2.17654 2.86253 2.89672 2.86627 2.86726 2.89948 2.78121 2.04441 2.78752 2.04651 2.06807 2.05767 2.06907 2.06860 2.06760 2.06133 2.51865 2.04988 2.88226 2.77625 2.06687 2.62755 2.63762 2.63371 2.04320 2.63301 2.04936 2.63010 2.63402 2.04842 2.04753 2.63560 2.62731 2.63259 2.04742 2.63485 2.04769 2.63716 2.04940 2.63405 2.04792 2.04721 2.04323 2.07304 2.05242 2.09671 2.10681 2.01839 1.97107 2.13509 1.98904 2.08239 1.98766 2.01786 2.16483 2.00461 2.12970 2.03811 1.93976 1.90499 1.97041 1.92551 1.88614 1.88207 1.89233 1.92005 1.91494 1.97293 1.88423 1.88850 1.88070 2.20070 2.04752 2.03480 2.13698 1.97579 2.17040 1.99670 2.16781 2.11849 1.96179 1.83749 1.91781 1.94573 1.91457 1.88376 2.09292 2.08388 2.10638 2.07937 2.11116 2.09242 2.08290 2.09870 2.10158 2.11952 2.05115 2.11186 2.10585 2.09096 2.08612 2.07906 2.08445 2.11957 2.11679 2.04962 2.11569 2.07721 2.09598 2.10996 2.08008 2.08348 2.11958 2.10254 2.08300 2.09764 2.10114 2.08401 2.09795 2.08967 2.09657 2.09692 3.16259 3.12273 0.02420 -3.11082 1.42354 -2.73821 -0.71382 -0.62982 2.55023 -0.83803 2.35323 -2.45530 0.11506 0.06269 2.63304 0.06277 2.54851 -2.41550 0.07024 1.60867 -0.48922 -2.60951 2.83604 0.73814 -1.38214 -0.95247 -3.05036 1.11254 -1.43081 2.78194 0.68237 -2.63994 1.57281 -0.52677 1.11404 -0.95640 -3.05597 2.33829 -0.14666 -0.14471 -2.62965 2.44527 -0.67567 -2.58854 0.57371 -0.11645 3.04581 -0.91633 2.23198 0.34286 -2.79201 2.86039 -0.27449 0.03227 -3.08787 -3.12984 0.03319 0.24400 -2.89501 -1.81445 1.32971 2.38319 -0.75582 -3.10552 0.01285 0.03346 -3.13135 3.14082 0.00379 0.00183 -3.13521 3.13566 -0.04573 0.01703 3.11883 -0.02585 3.14002 3.11117 -0.00614 3.12553 -0.03056 0.02223 -3.13386 0.01397 -3.11283 3.13135 0.00455 -3.09845 0.05164 -0.00841 -3.14150 3.09326 -0.05807 0.00130 3.13316 0.00886 -3.13732 -3.14130 -0.00430 0.00543 3.13265 -3.12621 0.00100 -0.00230 -3.13614 -3.13926 0.01008 -0.00495 3.12890 -3.13205 0.00179 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 -0.00001 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 -0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00001 0.00001 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 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 0.00002 -0.00001 0.00001 0.00001 -0.00000 0.00001 -0.00002 0.00000 -0.00001 0.00004 -0.00002 0.00000 -0.00003 0.00001 0.00000 -0.00001 -0.00000 -0.00000 0.00001 0.00000 -0.00000 0.00001 0.00000 -0.00001 0.00001 -0.00001 -0.00000 0.00000 0.00001 0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00001 0.00001 0.00000 0.00000 0.00000 0.00001 0.00001 0.00000 -0.00001 0.00000 -0.00000 0.00000 0.00001 0.00000 -0.00000 -0.00003 0.00000 0.00005 0.00001 0.00002 -0.00013 0.00003 0.00007 -0.00007 0.00012 -0.00005 -0.00005 0.00001 -0.00007 0.00001 -0.00001 0.00003 0.00001 -0.00002 0.00000 0.00001 0.00001 -0.00001 0.00003 -0.00002 -0.00003 0.00001 0.00002 0.00000 -0.00001 0.00000 0.00001 -0.00000 -0.00001 0.00001 -0.00001 0.00001 0.00000 -0.00001 -0.00001 0.00001 0.00002 0.00002 -0.00002 -0.00002 0.00003 -0.00001 0.00001 0.00000 -0.00001 0.00000 -0.00001 0.00001 -0.00002 0.00001 0.00000 0.00000 -0.00000 -0.00000 -0.00001 0.00001 -0.00000 0.00001 -0.00000 -0.00001 0.00001 0.00000 -0.00001 0.00000 0.00000 -0.00000 -0.00000 -0.00001 0.00001 0.00001 -0.00000 -0.00000 -0.00001 0.00002 -0.00001 0.00000 0.00000 0.00003 0.00002 -0.00010 -0.00009 -0.00012 -0.00026 -0.00026 0.00020 0.00022 0.00014 0.00003 0.00031 0.00020 -0.00003 -0.00006 0.00008 0.00005 0.00010 0.00009 0.00012 0.00011 0.00010 0.00012 -0.00005 -0.00006 -0.00004 -0.00073 -0.00074 -0.00071 -0.00066 -0.00067 -0.00064 -0.00056 -0.00058 -0.00054 -0.00005 -0.00012 -0.00005 -0.00013 -0.00018 -0.00011 -0.00007 0.00001 -0.00006 0.00001 0.00008 0.00007 0.00009 0.00008 0.00014 0.00014 0.00006 0.00006 -0.00002 -0.00002 0.00028 0.00026 0.00029 0.00026 0.00029 0.00027 -0.00003 -0.00007 -0.00001 -0.00005 0.00002 0.00002 0.00000 0.00000 0.00001 0.00000 0.00005 0.00005 0.00001 0.00000 0.00001 0.00001 -0.00000 -0.00002 0.00000 -0.00002 -0.00001 0.00001 -0.00001 0.00001 0.00003 0.00004 0.00001 0.00003 -0.00003 -0.00004 -0.00002 -0.00002 0.00000 -0.00001 -0.00001 -0.00002 0.00000 -0.00001 0.00001 -0.00001 -0.00001 0.00001 -0.00001 0.00002 0.00001 -0.00001 0.00003 0.00000 0.00002 -0.00001 0.00001 0.00001 -0.00000 0.00001 -0.00002 0.00000 -0.00001 0.00004 -0.00002 0.00000 -0.00003 0.00001 0.00000 -0.00001 -0.00000 -0.00000 0.00001 0.00000 -0.00000 0.00001 0.00000 -0.00001 0.00001 -0.00001 -0.00000 0.00000 0.00001 0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00001 0.00001 0.00000 0.00000 0.00000 0.00001 0.00001 0.00000 -0.00001 0.00000 -0.00000 0.00000 0.00001 0.00000 -0.00000 -0.00003 0.00000 0.00005 0.00001 0.00002 -0.00013 0.00003 0.00007 -0.00007 0.00012 -0.00005 -0.00005 0.00001 -0.00007 0.00001 -0.00001 0.00003 0.00001 -0.00002 0.00000 0.00001 0.00001 -0.00001 0.00003 -0.00002 -0.00003 0.00001 0.00002 0.00000 -0.00001 0.00000 0.00001 -0.00000 -0.00001 0.00001 -0.00001 0.00001 0.00000 -0.00001 -0.00001 0.00001 0.00002 0.00002 -0.00002 -0.00002 0.00003 -0.00001 0.00001 0.00000 -0.00001 0.00000 -0.00001 0.00001 -0.00002 0.00001 0.00000 0.00000 -0.00000 -0.00000 -0.00001 0.00001 -0.00000 0.00001 -0.00000 -0.00001 0.00001 0.00000 -0.00001 0.00000 0.00000 -0.00000 -0.00000 -0.00001 0.00001 0.00001 -0.00000 -0.00000 -0.00001 0.00002 -0.00001 0.00000 0.00000 0.00003 0.00002 -0.00010 -0.00009 -0.00012 -0.00026 -0.00026 0.00020 0.00022 0.00014 0.00003 0.00031 0.00020 -0.00003 -0.00006 0.00008 0.00005 0.00010 0.00009 0.00012 0.00011 0.00010 0.00012 -0.00005 -0.00006 -0.00004 -0.00073 -0.00074 -0.00071 -0.00066 -0.00067 -0.00064 -0.00056 -0.00058 -0.00054 -0.00005 -0.00012 -0.00005 -0.00013 -0.00018 -0.00011 -0.00007 0.00001 -0.00006 0.00001 0.00008 0.00007 0.00009 0.00008 0.00014 0.00014 0.00006 0.00006 -0.00002 -0.00002 0.00028 0.00026 0.00029 0.00026 0.00029 0.00027 -0.00003 -0.00007 -0.00001 -0.00005 0.00002 0.00002 0.00000 0.00000 0.00001 0.00000 0.00005 0.00005 0.00001 0.00000 0.00001 0.00001 -0.00000 -0.00002 0.00000 -0.00002 -0.00001 0.00001 -0.00001 0.00001 0.00003 0.00004 0.00001 0.00003 -0.00003 -0.00004 -0.00002 -0.00002 0.00000 -0.00001 -0.00001 -0.00002 0.00000 -0.00001 0.00001 -0.00001 -0.00001 0.00001 -0.00001 0.00002 0.00001 -0.00001 0.00003 0.00000 3.61428 3.62037 2.56977 2.71734 2.29211 2.61172 2.63217 2.17654 2.86252 2.89677 2.86625 2.86726 2.89945 2.78122 2.04441 2.78751 2.04651 2.06807 2.05767 2.06907 2.06859 2.06761 2.06133 2.51863 2.04989 2.88225 2.77625 2.06687 2.62755 2.63762 2.63370 2.04320 2.63300 2.04936 2.63010 2.63402 2.04842 2.04753 2.63560 2.62732 2.63259 2.04743 2.63484 2.04769 2.63716 2.04940 2.63406 2.04793 2.04721 2.04321 2.07304 2.05247 2.09672 2.10683 2.01826 1.97111 2.13516 1.98897 2.08251 1.98760 2.01782 2.16484 2.00455 2.12971 2.03810 1.93980 1.90500 1.97040 1.92551 1.88615 1.88208 1.89232 1.92008 1.91493 1.97290 1.88424 1.88852 1.88070 2.20069 2.04752 2.03481 2.13698 1.97578 2.17041 1.99669 2.16782 2.11850 1.96178 1.83748 1.91782 1.94575 1.91458 1.88374 2.09290 2.08391 2.10637 2.07938 2.11116 2.09241 2.08290 2.09869 2.10159 2.11950 2.05117 2.11186 2.10585 2.09096 2.08612 2.07906 2.08446 2.11957 2.11680 2.04961 2.11568 2.07722 2.09598 2.10995 2.08008 2.08348 2.11958 2.10254 2.08299 2.09765 2.10115 2.08401 2.09794 2.08966 2.09659 2.09690 3.16259 3.12273 0.02424 -3.11079 1.42343 -2.73830 -0.71395 -0.63009 2.54997 -0.83783 2.35345 -2.45516 0.11509 0.06300 2.63325 0.06275 2.54845 -2.41542 0.07029 1.60877 -0.48913 -2.60939 2.83614 0.73824 -1.38202 -0.95252 -3.05042 1.11250 -1.43154 2.78120 0.68166 -2.64060 1.57214 -0.52740 1.11347 -0.95697 -3.05652 2.33824 -0.14678 -0.14476 -2.62978 2.44509 -0.67577 -2.58861 0.57371 -0.11651 3.04582 -0.91624 2.23206 0.34295 -2.79194 2.86053 -0.27435 0.03233 -3.08782 -3.12986 0.03318 0.24428 -2.89476 -1.81417 1.32998 2.38348 -0.75555 -3.10555 0.01277 0.03345 -3.13141 3.14085 0.00381 0.00183 -3.13521 3.13567 -0.04573 0.01709 3.11888 -0.02585 3.14002 3.11118 -0.00613 3.12553 -0.03058 0.02223 -3.13388 0.01396 -3.11281 3.13134 0.00457 -3.09842 0.05168 -0.00839 -3.14148 3.09323 -0.05811 0.00129 3.13313 0.00886 -3.13733 -3.14131 -0.00431 0.00544 3.13264 -3.12620 0.00100 -0.00231 -3.13613 -3.13927 0.01010 -0.00494 3.12888 -3.13202 0.00180 |Maximum Force|RMS Force|Maximum Displacement|RMS Displacement| 0.000008 0.000002 0.001136 0.000245 0.000450 0.000300 0.001800 0.001200 YES YES YES YES -8.357164e-09 Optimization completed. -- Stationary point found. R1 R2 R3 R4 R5 R6 R7 R8 R9 R10 R11 R12 R13 R14 R15 R16 R17 R18 R19 R20 R21 R22 R23 R24 R25 R26 R27 R28 R29 R30 R31 R32 R33 R34 R35 R36 R37 R38 R39 R40 R41 R42 R43 R44 R45 R46 R47 R48 R49 1 2 3 3 4 5 5 6 7 7 7 7 8 8 8 9 9 10 10 10 11 11 11 12 12 15 15 15 16 16 18 18 19 19 20 21 21 22 23 23 24 24 25 25 26 26 27 27 28 14 14 13 15 13 20 23 17 8 9 10 11 9 12 29 13 30 31 32 33 34 35 36 14 37 16 17 38 18 19 20 39 21 40 22 22 41 42 24 25 26 43 27 44 28 45 28 46 47 1.9126 1.9158 1.3599 1.4379 1.2129 1.3821 1.3929 1.1518 1.5148 1.5329 1.5168 1.5173 1.5343 1.4718 1.0819 1.4751 1.083 1.0944 1.0889 1.0949 1.0947 1.0941 1.0908 1.3328 1.0848 1.5252 1.4691 1.0937 1.3904 1.3958 1.3937 1.0812 1.3933 1.0845 1.3918 1.3939 1.084 1.0835 1.3947 1.3903 1.3931 1.0834 1.3943 1.0836 1.3955 1.0845 1.3939 1.0837 1.0833 -DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-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 13 20 8 8 9 9 10 7 7 9 9 12 7 7 8 8 13 7 7 7 31 31 32 7 7 7 34 34 35 8 8 14 3 3 4 1 1 2 3 3 3 16 16 17 15 15 18 16 16 20 16 16 21 5 5 18 19 19 22 20 20 21 5 5 24 23 23 26 23 23 27 24 24 28 25 25 28 26 26 27 3 5 7 7 7 7 7 8 8 8 8 8 9 9 9 9 9 10 10 10 10 10 10 11 11 11 11 11 11 12 12 12 13 13 13 14 14 14 15 15 15 15 15 15 16 16 16 18 18 18 19 19 19 20 20 20 21 21 21 22 22 22 23 23 23 24 24 24 25 25 25 26 26 26 27 27 27 28 28 28 15 23 10 11 10 11 11 12 29 12 29 29 13 30 13 30 30 31 32 33 32 33 33 34 35 36 35 36 36 14 37 37 4 9 9 2 12 12 16 17 38 17 38 38 18 19 19 20 39 39 21 40 40 18 22 22 22 41 41 21 42 42 24 25 25 26 43 43 27 44 44 28 45 45 28 46 46 27 47 47 117.0687 118.7763 117.5952 120.1324 120.7111 115.6453 112.9343 122.3317 113.9635 119.3119 113.8843 115.6151 124.0358 114.856 122.0228 116.7749 111.1402 109.1478 112.8964 110.3235 108.0678 107.8349 108.4225 110.011 109.7182 113.0405 107.9586 108.2033 107.756 126.0907 117.3141 116.5854 122.44 113.2042 124.3546 114.4026 124.2064 121.3808 112.4022 105.2802 109.8824 111.4822 109.6966 107.9314 119.9155 119.3975 120.6869 119.1391 120.9606 119.887 119.3411 120.2466 120.4118 121.4395 117.5224 121.0007 120.6564 119.8032 119.5259 119.1216 119.4303 121.4427 121.2829 117.4343 121.22 119.0154 120.0907 120.8921 119.1798 119.3746 121.4431 120.4665 119.3472 120.1857 120.3863 119.405 120.2035 119.7293 120.1248 120.1444 -DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0 A81 6 17 15 1 -1 181.2028 -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 15 15 13 13 13 23 23 20 20 10 10 11 11 10 10 11 11 8 8 8 9 9 9 11 11 11 8 8 8 9 9 9 10 10 10 12 12 29 29 7 7 9 9 29 29 7 7 8 8 30 30 8 8 37 37 3 3 17 17 38 38 15 15 19 19 15 15 18 18 16 16 39 39 16 16 40 40 5 5 18 18 19 19 41 41 5 5 25 25 5 5 24 24 23 23 43 43 23 23 44 44 24 24 45 45 25 25 46 3 3 3 3 3 5 5 5 5 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 8 8 8 8 8 8 8 8 8 8 9 9 9 9 9 9 12 12 12 12 15 15 15 15 15 15 16 16 16 16 16 16 16 16 18 18 18 18 19 19 19 19 20 20 20 20 21 21 21 21 23 23 23 23 23 23 23 23 24 24 24 24 25 25 25 25 26 26 26 26 27 27 27 13 13 15 15 15 20 20 23 23 8 8 8 8 9 9 9 9 10 10 10 10 10 10 10 10 10 11 11 11 11 11 11 11 11 11 9 9 9 9 12 12 12 12 12 12 13 13 13 13 13 13 14 14 14 14 16 16 16 16 16 16 18 18 18 18 19 19 19 19 20 20 20 20 21 21 21 21 22 22 22 22 22 22 22 22 24 24 24 24 25 25 25 25 26 26 26 26 27 27 27 27 28 28 28 28 28 28 28 4 9 16 17 38 18 22 24 25 12 29 12 29 13 30 13 30 31 32 33 31 32 33 31 32 33 34 35 36 34 35 36 34 35 36 13 30 13 30 14 37 14 37 14 37 3 4 3 4 3 4 1 2 1 2 18 19 18 19 18 19 20 39 20 39 21 40 21 40 5 22 5 22 22 41 22 41 21 42 21 42 20 42 20 42 26 43 26 43 27 44 27 44 28 45 28 45 28 46 28 46 27 47 27 47 26 47 26 1.3868 -178.2367 81.5626 -156.8877 -40.8991 -36.0863 146.1176 -48.0158 134.83 -140.6781 6.5922 3.5919 150.8622 3.5967 146.0188 -138.3978 4.0244 92.1701 -28.0304 -149.5138 162.493 42.2925 -79.1909 -54.5723 -174.7729 63.7438 -81.9791 159.3936 39.0968 -151.2575 90.1153 -30.1815 63.8296 -54.7976 -175.0944 133.9741 -8.4028 -8.2912 -150.668 140.1036 -38.7128 -148.3126 32.871 -6.6718 174.5118 -52.5016 127.8833 19.6444 -159.9706 163.8882 -15.7269 1.8491 -176.9221 -179.3269 1.9019 13.9804 -165.8721 -103.9606 76.187 136.5469 -43.3055 -177.9334 0.7362 1.9171 -179.4134 179.9559 0.2172 0.1046 -179.6341 179.66 -2.6202 0.9759 178.6956 -1.4813 179.9099 178.257 -0.3518 179.0798 -1.7509 1.2735 -179.5572 0.8003 -178.3518 179.4129 0.2609 -177.528 2.9587 -0.4816 -179.9949 177.2307 -3.3272 0.0747 179.5168 0.5078 -179.7553 -179.983 -0.2461 0.3112 179.4876 -179.1189 0.0575 -0.1317 -179.6878 -179.8663 0.5776 -0.2835 179.2725 -179.4532 -DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-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 814 A 782 A 782 1276 814 126 126 3739.3427518501 47 47 47 1.00e+00 60 F IExCor= 402 DFT=T Ex+Corr=B3LYP ExCW=0 ScaHFX= 0.200000 ScaDFX= 0.800000 0.720000 1.000000 0.810000 ScalE2= 1.000000 1.000000 IRadAn= 5 IRanWt= -1 IRanGd= 0 ICorTp=0 IEmpDi=131 Grimme-D3 -0.0622465318 PCM SMD-Coulomb. Total charges None Matrix inversion n-Octanol 9.862900 2.043470 0.000000 3.218085 0.000000 4.989203 6.816817 0.000000 6.451007 7.401643 2.256096 0.000000 5.538120 6.981668 5.017990 5.439756 0.000000 6.611785 9.289280 3.318154 5.150455 6.531624 0.000000 4.639341 5.376279 3.077847 3.644718 7.026751 5.701338 0.000000 3.298706 4.265872 2.858244 3.739293 5.811517 5.619825 1.514786 0.000000 4.705073 5.387825 2.367659 2.380425 5.828341 5.556902 1.532880 1.534339 0.000000 5.204777 6.535196 3.050768 4.121684 7.650560 4.830796 1.516765 2.593015 2.650493 0.000000 5.495115 5.435672 4.529870 4.623574 8.221634 7.146171 1.517287 2.627603 2.581687 2.529093 0.000000 2.881055 2.847110 4.191875 4.785335 5.999749 6.944952 2.616347 1.471752 2.594472 3.868702 3.065402 0.000000 5.369987 6.541432 1.359858 1.212933 5.265935 4.598525 2.656460 2.632553 1.475091 3.135195 3.867438 3.829273 0.000000 1.912588 1.915826 4.979146 5.846611 5.921121 7.389992 3.784173 2.500684 3.801370 4.826639 4.255361 1.332810 4.860579 0.000000 6.038370 8.077189 1.437949 2.677332 4.945691 2.620656 4.465584 4.278890 3.699199 4.222873 5.887147 5.562072 2.386747 6.254818 0.000000 6.143389 8.155160 2.462862 3.210280 3.677301 3.473638 5.461140 4.918750 4.419877 5.495667 6.867690 5.953063 3.148471 6.463923 1.525226 0.000000 6.218731 8.667108 2.310739 4.036856 5.743808 1.151776 5.013819 4.890228 4.638854 4.368228 6.478321 6.226204 3.550246 6.776952 1.469129 2.475043 0.000000 5.223215 7.121182 2.786551 3.554503 2.421124 4.347663 5.376156 4.484587 4.244084 5.700563 6.741918 5.238243 3.303373 5.560545 2.524865 1.390439 3.422805 0.000000 7.448298 9.465714 3.740351 4.098848 4.163232 3.989268 6.762342 6.297871 5.690702 6.717706 8.139092 7.321403 4.328216 7.820941 2.522785 1.395767 3.179209 2.421233 0.000000 5.895519 7.619085 4.170074 4.611393 1.382056 5.457892 6.625597 5.614479 5.408872 7.057900 7.924213 6.132695 4.542349 6.285886 3.801770 2.400606 4.625707 1.393697 2.781743 0.000000 7.912342 9.833863 4.859088 5.062837 3.647856 5.161544 7.792155 7.141380 6.609847 7.898869 9.144745 7.979439 5.343223 8.339753 3.802890 2.407368 4.439317 2.788178 1.393327 2.401698 0.000000 7.237863 9.002261 5.041652 5.284748 2.371681 5.807895 7.741891 6.859372 6.498084 8.055867 9.057468 7.469198 5.439481 7.671034 4.313352 2.788210 5.047940 2.424372 2.421720 1.391789 1.393863 0.000000 4.817810 5.760828 4.920160 5.176639 1.392894 7.014754 6.348755 5.049578 5.151515 7.201044 7.386122 4.973241 4.912952 4.869101 5.226968 4.231722 6.154208 2.878176 5.007694 2.388231 4.736969 3.575324 0.000000 5.325391 5.725153 4.742314 4.418347 2.429579 7.325134 5.894649 4.762576 4.539441 6.910617 6.775736 4.675572 4.358581 4.879518 5.163269 4.326424 6.330195 3.170619 5.123380 2.949291 4.995379 4.024340 1.394699 0.000000 4.094501 4.925123 5.608606 6.152898 2.378569 7.601346 6.601053 5.155789 5.626809 7.493359 7.555482 4.774684 5.679076 4.308098 6.106061 5.262769 6.857364 3.875340 6.147774 3.518679 5.915767 4.725946 1.390313 2.426581 0.000000 5.174114 4.799164 5.287185 4.824718 3.688306 8.167168 5.675784 4.551623 4.430164 6.909029 6.284036 4.093947 4.678659 4.294177 5.998397 5.420630 7.171961 4.310039 6.347540 4.293369 6.341870 5.413696 2.402244 1.393105 2.791225 0.000000 3.913173 3.821337 6.079240 6.448007 3.656617 8.421642 6.410207 4.967566 5.540293 7.496894 7.120520 4.214080 5.928345 3.644288 6.828718 6.194710 7.645654 4.854054 7.199288 4.703385 7.088143 5.952628 2.401523 2.793127 1.394304 2.412396 0.000000 4.504580 3.736165 5.934964 5.858410 4.168841 8.683464 5.950156 4.662371 4.968470 7.210167 6.472255 3.837462 5.475913 3.633078 6.783048 6.265490 7.790093 5.037210 7.289074 5.018834 7.274203 6.243034 2.777249 2.420683 2.419325 1.395527 1.393880 0.000000 2.823721 4.636638 2.462596 3.960911 5.401205 4.799365 2.190018 1.081854 2.206533 2.683756 3.513049 2.170984 2.771596 2.729074 3.782094 4.396260 4.168918 3.968914 5.788523 5.142707 6.637636 6.376559 4.832127 4.822680 4.907267 4.867502 4.959592 4.939261 0.000000 5.258814 5.323580 3.282556 2.564959 6.071830 6.551138 2.217682 2.241452 1.082968 3.524756 2.673913 2.765736 2.121551 4.028864 4.487780 5.033941 5.576562 4.764962 6.222117 5.768737 7.030174 6.839939 5.245233 4.387012 5.749398 4.042418 5.489681 4.668100 3.103822 0.000000 5.232557 6.537446 4.009936 5.202763 8.405543 5.389794 2.141763 3.101478 3.531637 1.094374 2.726267 4.138559 4.183598 4.934843 5.164079 6.419741 5.112102 6.555599 7.658532 7.896264 8.826350 8.940881 7.913271 7.706505 8.046850 7.616880 7.967631 7.752062 3.149583 4.339801 0.000000 4.934819 6.760332 2.390228 3.979265 7.046513 3.780710 2.184341 2.722452 2.864164 1.088870 3.487073 4.121040 2.932890 4.920795 3.428065 4.717212 3.371711 4.995178 5.922454 6.372399 7.115843 7.318631 6.763946 6.635671 7.094236 6.834935 7.286839 7.161501 2.392368 3.894993 1.767043 0.000000 6.273425 7.458588 3.417347 4.070421 8.269362 5.045778 2.157079 3.461999 3.076591 1.094903 2.815850 4.735096 3.335373 5.799990 4.389989 5.777820 4.573198 6.185705 6.875835 7.556041 8.132253 8.438086 7.873748 7.462979 8.301397 7.491301 8.330145 7.936710 3.651436 3.804677 1.769307 1.771433 0.000000 5.416966 5.311642 5.216930 5.615018 8.852314 7.545746 2.153407 3.071310 3.462599 2.811895 1.094655 3.299126 4.753776 4.262054 6.594677 7.604880 7.007647 7.432230 8.915070 8.621634 9.926629 9.804356 7.996094 7.508067 8.002959 6.967684 7.502902 6.965498 3.824882 3.660193 2.562650 3.783314 3.234005 0.000000 6.522908 6.500762 4.861480 4.681943 8.893522 7.353548 2.149301 3.508433 3.078634 2.737015 1.094127 4.107448 4.119675 5.331970 6.097201 7.194910 6.690706 7.251717 8.377357 8.471022 9.458667 9.507526 8.128137 7.428497 8.425764 6.995327 8.047714 7.329875 4.325097 3.098588 2.995223 3.769409 2.578474 1.770297 0.000000 5.565570 4.941887 4.961477 4.731680 8.073869 7.854582 2.188048 2.828037 2.705330 3.490047 1.090809 2.824583 4.102867 4.035150 6.326562 7.124127 7.090775 6.847592 8.389547 7.909540 9.281061 9.074294 7.105441 6.373850 7.246406 5.698117 6.661084 5.859861 3.867004 2.387301 3.760028 4.346003 3.791960 1.770355 1.764913 0.000000 3.857943 2.893767 4.834081 4.970458 6.587313 7.789393 2.892828 2.192691 2.820439 4.325426 2.846588 1.084752 4.188985 2.060855 6.207542 6.603855 7.004528 5.914846 7.932342 6.753284 8.573969 8.059600 5.453850 4.915813 5.310220 4.089470 4.560060 3.878674 3.113269 2.585679 4.606406 4.776206 5.036212 3.159674 3.835238 2.240855 0.000000 6.988119 8.809681 2.081757 2.428110 5.684139 3.131123 4.765263 4.858610 3.978997 4.476586 6.057114 6.177510 2.557368 7.017050 1.093740 2.155709 2.084234 3.317949 2.714379 4.474864 4.061203 4.786634 5.955800 5.694640 6.944347 6.495439 7.614804 7.416631 4.542369 4.639736 5.482361 3.830351 4.375567 6.852112 6.078326 6.502189 6.689499 0.000000 4.209526 6.085458 2.422765 3.447940 2.664382 4.486305 4.566265 3.517463 3.511292 5.019678 5.913016 4.196151 2.889130 4.485177 2.736010 2.156189 3.584917 1.081215 3.405334 2.147825 3.869306 3.399535 2.632626 2.906770 3.373059 3.790509 4.163165 4.341514 2.998787 4.078020 5.807038 4.389053 5.637572 6.538563 6.529448 5.998192 4.927898 3.627753 0.000000 8.233863 10.297313 4.102356 4.373803 5.247537 3.845682 7.110152 6.853787 6.139627 6.888521 8.464987 7.997543 4.700939 8.588913 2.719127 2.156198 3.153635 3.402801 1.084475 3.866058 2.155746 3.404815 6.065261 6.098393 7.203210 7.271805 8.219575 8.253205 6.359326 6.699380 7.834697 6.091403 6.897524 9.250493 8.579354 8.801651 8.587786 2.566223 4.301632 0.000000 8.973933 10.898598 5.828863 5.906999 4.515736 5.818511 8.791686 8.198194 7.607792 8.844443 10.132941 9.053049 6.293883 9.421619 4.670170 3.390818 5.197998 3.872157 2.148887 3.383715 1.083980 2.146410 5.668609 5.911098 6.852134 7.268288 8.050036 8.234860 7.698319 8.001039 9.782297 8.051579 9.010073 10.935316 10.393112 10.276437 9.627708 4.778384 4.953272 2.481075 0.000000 7.878294 9.513884 6.088155 6.233509 2.578503 6.814625 8.697215 7.741344 7.419608 9.080013 9.976379 8.223421 6.427069 8.330211 5.396581 3.871490 6.103178 3.398895 3.410646 2.143136 2.166213 1.083506 3.849192 4.382437 4.923581 5.761997 6.181636 6.538596 7.279500 7.686476 9.952096 8.357119 9.485746 10.720553 10.457228 9.925331 8.782614 5.849140 4.282855 4.310029 2.493346 0.000000 6.131682 6.638771 4.588299 3.895998 2.673740 7.145975 6.042965 5.111275 4.573933 6.977833 6.951053 5.261725 4.115636 5.666966 4.802431 3.902900 6.088144 2.993175 4.521953 2.761834 4.388136 3.584858 2.152737 1.083450 3.404331 2.159741 3.876531 3.406954 5.189416 4.389852 7.874884 6.685871 7.389296 7.788888 7.465904 6.592004 5.452654 5.164887 3.027146 5.433787 5.239751 3.992978 0.000000 4.131286 5.389882 6.064739 6.891020 2.580918 7.626069 7.213761 5.740747 6.355071 7.962945 8.246678 5.414431 6.345618 4.777474 6.457232 5.565119 7.012824 4.199504 6.379983 3.748422 6.071858 4.857646 2.141283 3.400196 1.083589 3.874583 2.166686 3.409338 5.320358 6.605100 8.448279 7.463100 8.822148 8.612608 9.143869 8.026532 6.070612 7.378054 3.775539 7.438020 6.966379 4.974947 4.286455 0.000000 5.905798 5.176705 5.546955 4.667339 4.568343 8.621181 5.656975 4.758419 4.375383 6.975481 6.071456 4.316478 4.694975 4.755845 6.295679 5.847862 7.570339 4.912140 6.738458 4.995243 6.811197 6.014355 3.384201 2.144241 3.875711 1.084494 3.397193 2.155355 5.266978 3.747523 7.720091 7.035560 7.438733 6.837025 6.675974 5.375575 4.060419 6.633321 4.439635 7.576409 7.697052 6.390228 2.480936 4.959023 0.000000 3.792898 3.425568 6.833174 7.367972 4.521594 9.038241 6.905243 5.439765 6.225587 7.973905 7.530006 4.508403 6.749265 3.654424 7.648172 7.080331 8.347249 5.740104 8.116887 5.611656 8.012296 6.859867 3.382131 3.876813 2.145295 3.396829 1.083715 2.153414 5.407791 6.207240 8.316418 7.791688 8.877183 7.771367 8.521750 7.069884 4.864148 8.486232 4.992463 9.135760 8.973970 7.053976 4.960196 2.491721 4.296324 0.000000 4.823324 3.254641 6.604471 6.432168 5.252109 9.470421 6.129406 4.936465 5.297736 7.489501 6.404790 3.864452 6.031082 3.635670 7.576394 7.191120 8.582919 6.015222 8.258958 6.079196 8.304353 7.305385 3.860556 3.401346 3.400612 2.153749 2.152474 1.083335 5.375841 4.865571 7.946692 7.583239 8.211376 6.823671 7.278428 5.668021 3.664133 8.168548 5.256826 9.190249 9.268127 7.605633 4.302325 4.307033 2.484543 2.483099 0.000000 C22H19Br2NO3 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 0 486.0482999999997 AuxInfo=1/0/N:7;8;9;10;11;12;13;14;15;16;17;18;19;20;21;22;23;24;25;26;27;28;1;2;6;3;4;5;29;30;31;32;33;34;35;36;37;38;39;40;41;42;43;44;45;46;47/rA:47nBr0Br0O0O0O0N0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:2.1082,-.0131,2.0817;4.3943,-.4747,-.1357;-2.034,1.7914,-.0345;-2.3869,1.6011,-2.2547;-2.0144,-3.2191,.2388;-3.9595,2.5708,2.553;.5616,3.2257,-.8581;.809,1.8289,-.3268;-.1776,2.0373,-1.4833;-.1665,4.2024,.0456;1.5937,3.8972,-1.7447;2.0658,1.1039,-.5737;-1.6242,1.7922,-1.3311;2.717,.3403,.3033;-3.4247,1.5211,.212;-3.7385,.0286,.1961;-3.708,2.1165,1.5249;-2.7036,-.8982,.2528;-5.0675,-.3912,.1213;-3.006,-2.2575,.1934;-5.3529,-1.755,.1059;-4.3253,-2.6964,.1333;-.7978,-2.9579,-.3871;-.7452,-2.4618,-1.6895;.3625,-3.2675,.3135;.4973,-2.2665,-2.2885;1.5993,-3.0753,-.3008;1.6713,-2.5729,-1.599;.3333,1.6299,.6243;.164,1.758,-2.4723;.5675,4.7707,.6252;-.8412,3.7106,.7445;-.7457,4.914,-.5519;2.384,4.3402,-1.1303;1.1213,4.7009,-2.3175;2.0579,3.2113,-2.4545;2.5184,1.2118,-1.5536;-4.041,2.0354,-.531;-1.6732,-.578,.3203;-5.8688,.3379,.0714;-6.3824,-2.0894,.0494;-4.5316,-3.7594,.0952;-1.6609,-2.2265,-2.2185;.2871,-3.6437,1.3269;.5446,-1.8772,-3.2996;2.5063,-3.3076,.2449;2.6347,-2.4141,-2.0683; 0.1758971 0.0986087 0.0795197 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= 782 RedAO= T EigKep= 1.45D-06 NBF= 782 NBsUse= 779 1.00D-06 EigRej= 9.76D-07 NBFU= 779 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= 793 793 793 793 793 MxSgAt= 47 MxSgA2= 47. 1 Closed 1 1 1 -6278.81398229625 -6278.81398229617 0.000000000085 -6278.81398230 2 6.267809308252e+03 -2.241416349557e+04 6.128261359937e+03 Using DIIS extrapolation, IDIIS= 1040. NGot= 4246732800 LenX= 4245379432 LenY= 4244716022 Requested convergence on RMS density matrix=1.00D-08 within 128 cycles. Requested convergence on MAX density matrix=1.00D-06. Requested convergence on energy=1.00D-06. No special actions if energy rises. Fock matrices will be formed incrementally for 20 cycles. Using compressed storage, NAtomX= 47. Will process 48 centers per pass. Symmetrizing basis deriv contribution to polar: IMax=3 JMax=2 DiffMx= 0.00D+00 Minotr: Closed shell wavefunction. IDoAtm=11111111111111111111111111111111111111111111111 NEqPCM: Using equilibrium solvation (IEInf=0, Eps= 9.8629, EpsInf= 2.0435) Direct CPHF calculation. Differentiating once with respect to electric field. with respect to dipole field. Differentiating once with respect to nuclear coordinates. Requested convergence is 1.0D-08 RMS, and 1.0D-07 maximum. Secondary convergence is 1.0D-12 RMS, and 1.0D-12 maximum. NewPWx=T KeepS1=F KeepF1=F KeepIn=T MapXYZ=F SortEE=F KeepMc=T. 14532 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= 141 IRICut= 352 DoRegI=T DoRafI=T ISym2E= 2 IDoP0=3 IntGTp=3. There are 144 degrees of freedom in the 1st order CPHF. IDoFFX=6 NUNeed= 3. 141 vectors produced by pass 0 Test12= 8.23D-14 1.00D-09 XBig12= 3.84D+02 5.47D+00. AX will form 141 AO Fock derivatives at one time. 141 vectors produced by pass 1 Test12= 8.23D-14 1.00D-09 XBig12= 6.57D+01 1.14D+00. 141 vectors produced by pass 2 Test12= 8.23D-14 1.00D-09 XBig12= 1.80D+00 8.02D-02. 141 vectors produced by pass 3 Test12= 8.23D-14 1.00D-09 XBig12= 1.33D-02 1.12D-02. 141 vectors produced by pass 4 Test12= 8.23D-14 1.00D-09 XBig12= 4.25D-05 8.24D-04. 134 vectors produced by pass 5 Test12= 8.23D-14 1.00D-09 XBig12= 8.51D-08 1.69D-05. 55 vectors produced by pass 6 Test12= 8.23D-14 1.00D-09 XBig12= 1.36D-10 7.61D-07. 3 vectors produced by pass 7 Test12= 8.23D-14 1.00D-09 XBig12= 2.30D-13 3.65D-08. 2 vectors produced by pass 8 Test12= 8.23D-14 1.00D-09 XBig12= 5.51D-16 1.98D-09. InvSVY: IOpt=1 It= 1 EMax= 4.97D-14 Solved reduced A of dimension 899 with 144 vectors. FullF1: Do perturbations 1 to 3. Isotropic polarizability for W= 0.000000 412.94 Bohr**3. End of Minotr F.D. properties file 721 does not exist. 484.663 -29.643 387.917 -9.186 -17.653 366.236 535.215 -34.392 431.727 -1.834 -25.882 455.702 (Enter /usr/local/gaussian/gaussian16/g16/l716.exe) PT236469.800S 2023-05-11T08:05:22.000 -482.84533 -482.84440 -62.49803 -62.49713 -56.31853 -56.31765 -56.31444 -56.31434 -56.31351 -56.31345 -19.19433 -19.17114 -19.13337 -14.33629 -10.32671 -10.29399 -10.27691 -10.24809 -10.24065 -10.23555 -10.21239 -10.20818 -10.20450 -10.20388 -10.20325 -10.18659 -10.18600 -10.18324 -10.18198 -10.17981 -10.17871 -10.17867 -10.17704 -10.17369 -10.16406 -10.16113 -8.70768 -8.70677 -6.53948 -6.53864 -6.52589 -6.52574 -6.52491 -6.52483 -2.65033 -2.64946 -2.64641 -2.64633 -2.64551 -2.64547 -2.63553 -2.63552 -2.63457 -2.63456 -1.13593 -1.08838 -1.04763 -0.93661 -0.90310 -0.88024 -0.86568 -0.86071 -0.81670 -0.78811 -0.77113 -0.76508 -0.75796 -0.75497 -0.74032 -0.72874 -0.69598 -0.67284 -0.64659 -0.63017 -0.61713 -0.60260 -0.59379 -0.58174 -0.56418 -0.55904 -0.53986 -0.52062 -0.50707 -0.49663 -0.49479 -0.48904 -0.48663 -0.48059 -0.47792 -0.46194 -0.45660 -0.44697 -0.44023 -0.43597 -0.43019 -0.42129 -0.41981 -0.41520 -0.40548 -0.40179 -0.39695 -0.39504 -0.38659 -0.38533 -0.38343 -0.37686 -0.37504 -0.37110 -0.36761 -0.36424 -0.36058 -0.35088 -0.34766 -0.33629 -0.33335 -0.32989 -0.31896 -0.30917 -0.30588 -0.29590 -0.28847 -0.27240 -0.26290 -0.26181 -0.24389 -0.23325 -0.05066 -0.04071 -0.03582 -0.02686 -0.01972 -0.01385 -0.00948 -0.00648 -0.00297 0.00245 0.00672 0.01380 0.01521 0.01783 0.02585 0.02703 0.03139 0.03436 0.03810 0.04219 0.04514 0.04894 0.05194 0.05252 0.05607 0.05970 0.06164 0.06416 0.06925 0.07164 0.07763 0.07820 0.07959 0.08237 0.08631 0.08913 0.08922 0.09427 0.09515 0.10206 0.10329 0.10581 0.10682 0.11137 0.11264 0.11422 0.11761 0.12032 0.12270 0.12443 0.12953 0.13346 0.13502 0.13641 0.14026 0.14240 0.14454 0.14870 0.14979 0.15139 0.15517 0.15815 0.16095 0.16403 0.16605 0.16832 0.16955 0.17126 0.17390 0.18000 0.18076 0.18431 0.18522 0.18684 0.18974 0.19109 0.19370 0.19783 0.20098 0.20229 0.20386 0.20483 0.20822 0.21126 0.21340 0.21522 0.21736 0.22066 0.22226 0.22361 0.22599 0.22825 0.23016 0.23328 0.23389 0.23557 0.23672 0.23975 0.24430 0.24448 0.24623 0.24902 0.25206 0.25470 0.25719 0.25939 0.26110 0.26329 0.26377 0.26578 0.26727 0.26984 0.27115 0.27444 0.27774 0.28010 0.28323 0.28472 0.28982 0.29109 0.29415 0.29670 0.29736 0.30166 0.30333 0.30644 0.31066 0.31335 0.31628 0.32136 0.32284 0.32585 0.33081 0.33433 0.33873 0.34290 0.34646 0.35029 0.35216 0.35351 0.35700 0.35927 0.36233 0.36580 0.36962 0.37177 0.37741 0.38015 0.38430 0.38768 0.39186 0.39481 0.40047 0.41027 0.41255 0.41689 0.42354 0.42821 0.43462 0.44135 0.44823 0.45175 0.46187 0.46597 0.46858 0.47686 0.48107 0.48196 0.49013 0.49299 0.50059 0.50651 0.51885 0.52251 0.52882 0.54297 0.54620 0.54832 0.55112 0.55872 0.55982 0.56110 0.56751 0.57205 0.57634 0.58027 0.58248 0.58641 0.59284 0.59515 0.60306 0.60799 0.61140 0.61959 0.62718 0.62784 0.63207 0.63423 0.63773 0.64218 0.64477 0.64710 0.65283 0.65618 0.65981 0.66160 0.66392 0.66768 0.67273 0.67716 0.68135 0.68300 0.68538 0.69147 0.69360 0.69433 0.69731 0.70397 0.70592 0.71515 0.71601 0.71856 0.72400 0.72710 0.72881 0.73236 0.73714 0.73919 0.74695 0.74927 0.75579 0.75801 0.76488 0.76677 0.77205 0.77498 0.77666 0.78157 0.78806 0.78990 0.79027 0.79863 0.80178 0.80701 0.81013 0.81334 0.81968 0.82322 0.82573 0.83082 0.83691 0.84402 0.84601 0.85185 0.86227 0.86503 0.87278 0.88390 0.88618 0.89394 0.90097 0.90651 0.91556 0.92009 0.92792 0.92951 0.93357 0.93751 0.94355 0.94708 0.95543 0.95664 0.96154 0.96414 0.97713 0.98270 0.98634 1.00037 1.00614 1.01132 1.01315 1.02124 1.03609 1.03823 1.04762 1.05092 1.05828 1.06497 1.06768 1.08065 1.08198 1.08750 1.09178 1.09967 1.10994 1.11493 1.12367 1.13178 1.13565 1.14562 1.15049 1.15364 1.16191 1.17662 1.18948 1.19583 1.20493 1.21012 1.21792 1.22666 1.26147 1.27798 1.29094 1.30440 1.31138 1.31284 1.32149 1.33605 1.34245 1.35244 1.36536 1.37169 1.38263 1.39384 1.40777 1.41497 1.42554 1.43340 1.44693 1.46140 1.46879 1.47425 1.48176 1.49184 1.50299 1.50937 1.51139 1.51965 1.52707 1.52840 1.53123 1.53715 1.54627 1.55360 1.56259 1.56564 1.57124 1.57690 1.58087 1.58282 1.59628 1.60030 1.60787 1.61194 1.61353 1.62854 1.63565 1.64422 1.65121 1.65933 1.66778 1.67142 1.67636 1.68007 1.68727 1.69369 1.69691 1.70988 1.71379 1.71810 1.72401 1.73486 1.73827 1.75104 1.76014 1.76565 1.76951 1.77187 1.78122 1.79071 1.80576 1.81050 1.81885 1.82439 1.82618 1.83966 1.84273 1.85457 1.86168 1.86464 1.88590 1.89280 1.89822 1.91329 1.91784 1.92480 1.92630 1.93185 1.94058 1.94592 1.95107 1.96046 1.96909 1.97161 1.98208 1.98450 1.99821 2.00091 2.00273 2.01466 2.01745 2.01939 2.03048 2.03629 2.04395 2.04837 2.05275 2.06160 2.07271 2.07636 2.08118 2.08611 2.09349 2.10247 2.10495 2.10880 2.11864 2.11989 2.13285 2.13700 2.15396 2.18131 2.19055 2.20536 2.20961 2.21392 2.23082 2.23836 2.24331 2.26047 2.27182 2.27793 2.28960 2.32678 2.33629 2.34287 2.34361 2.35792 2.39310 2.40318 2.41268 2.42081 2.42981 2.45048 2.45957 2.46678 2.48066 2.48528 2.48983 2.50562 2.51499 2.51854 2.52840 2.54172 2.56520 2.56953 2.60103 2.61916 2.62258 2.62625 2.64160 2.64937 2.65488 2.66713 2.66871 2.68028 2.69310 2.70751 2.71440 2.72262 2.73042 2.73089 2.73951 2.74725 2.75482 2.75801 2.76448 2.76725 2.77651 2.77972 2.78614 2.79889 2.80338 2.81015 2.81534 2.82089 2.83108 2.83921 2.84774 2.85370 2.85607 2.86002 2.87347 2.87882 2.89153 2.89647 2.90615 2.91824 2.93030 2.94176 2.94668 2.95313 2.95640 2.96645 2.97791 2.98707 3.00151 3.01118 3.01654 3.02956 3.04228 3.06215 3.08229 3.08739 3.09791 3.10784 3.11329 3.12497 3.13319 3.14687 3.15841 3.16671 3.17358 3.18708 3.20395 3.22390 3.22876 3.23600 3.26678 3.27283 3.28463 3.32899 3.35486 3.36127 3.36711 3.38005 3.40640 3.42955 3.44571 3.46325 3.53320 3.54560 3.56152 3.57438 3.59720 3.62101 3.65125 3.65346 3.68680 3.70772 3.71106 3.73173 3.76721 3.80244 3.82817 3.83956 3.85245 3.89205 3.95612 3.98254 3.99737 4.01805 4.02710 4.03853 4.07807 4.10513 4.14298 4.15023 4.16061 4.16255 4.17003 4.17717 4.19040 4.19507 4.20595 4.21366 4.22680 4.24400 4.26209 4.27096 4.31080 4.32713 4.40768 4.53302 4.55497 4.55982 4.58339 4.63180 4.84327 4.85438 5.12290 5.14397 5.16733 5.24609 5.42941 5.44298 5.66493 5.87936 5.90123 6.79821 6.81020 7.59789 7.60343 7.62011 7.65943 7.74024 7.75076 23.56094 23.59857 23.63163 23.76827 23.79800 23.86926 23.89423 23.94662 23.95761 23.96583 23.96909 23.98775 23.99627 24.01566 24.07145 24.07912 24.09227 24.10247 24.18344 24.19373 24.19888 24.35039 35.88068 48.04710 48.05889 49.93284 49.98396 50.02603 289.79145 289.79882 289.81475 289.86357 289.95557 289.968331020 .868121020 .88278 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 Br Br O O O N C C C C C C C C C C C C C C C C C C C C C C H H H H H H H H H H H H H H H H H H H -0.025388 0.066080 0.154968 -0.239076 -0.031326 -0.317562 0.380731 -0.066049 -0.170208 -0.537219 -0.523441 -0.650151 -0.534151 0.429709 0.649872 0.521769 -0.553393 0.776815 -0.484641 -0.732469 -0.250567 -0.409389 -0.425914 0.137094 -0.184264 -0.192390 -0.020167 -0.082141 0.178233 0.204402 0.163698 0.158309 0.165888 0.172490 0.170385 0.150550 0.181995 0.254967 0.193737 0.159296 0.169203 0.164885 0.176713 0.159452 0.162258 0.167291 0.159118 -0.00000 Mulliken charges with hydrogens summed into heavy atoms: 1 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 Br Br O O O N C C C C C C C C C C C C C C C C C C C C C C -0.025388 0.066080 0.154968 -0.239076 -0.031326 -0.317562 0.380731 0.112183 0.034194 -0.049325 -0.030016 -0.468155 -0.534151 0.429709 0.904839 0.521769 -0.553393 0.970552 -0.325346 -0.732469 -0.081364 -0.244504 -0.425914 0.313807 -0.024813 -0.030132 0.147124 0.076977 -0.00000 6.55610159e-01 5.91469558e-01 -1.63381785e+00 4.84663132e+02 -2.96428882e+01 3.87916550e+02 -9.18641758e+00 -1.76529520e+01 3.66236119e+02 -6.9384 0.0041 0.0071 0.0084 6.4074 9.5711 17.4974 23.4660 27.3926 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 50 51 52 53 54 55 56 57 58 59 60 61 62 63 64 65 66 67 68 69 70 71 72 73 74 75 76 77 78 79 80 81 82 83 84 85 86 87 88 89 90 91 92 93 94 95 96 97 98 99 100 101 102 103 104 105 106 107 108 109 110 111 112 113 114 115 116 117 118 119 120 121 122 123 124 125 126 127 128 129 130 131 132 133 134 135 A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A 17.3081 23.4155 27.1689 28.9353 38.7918 49.2908 57.8373 66.3800 69.5692 76.3969 87.1012 92.5217 116.3390 151.5249 162.1221 173.8589 190.4669 203.3294 217.6939 224.4891 231.9056 246.0300 273.5005 287.8235 305.4389 312.2210 330.0122 386.8171 394.7262 405.3994 421.4432 424.5047 433.4740 437.2259 474.5640 490.9467 495.8337 506.6593 557.7526 566.9786 581.7114 586.8409 626.1739 638.0788 648.1800 666.1240 704.9338 711.4038 718.2637 738.0715 760.8043 794.0274 794.8264 801.8315 841.7593 845.9700 850.8086 886.9951 908.7179 919.3173 922.4811 928.0305 951.9020 969.1852 977.9410 991.7866 995.8085 997.1657 1007.6547 1010.2158 1015.1935 1015.5472 1021.2018 1042.7271 1049.8671 1072.7905 1100.2023 1103.1131 1107.0264 1126.1220 1147.1736 1165.5060 1181.7237 1185.8448 1187.7364 1217.1045 1236.2061 1250.7872 1263.4042 1295.1938 1303.5250 1307.8856 1319.7032 1330.3121 1346.9608 1350.1627 1361.6908 1370.3396 1412.1371 1421.7041 1442.4638 1468.5435 1477.3857 1479.7752 1481.9399 1494.6814 1498.6522 1512.3504 1517.1222 1623.7433 1627.2186 1639.8998 1640.3878 1652.0282 1725.4218 2358.1805 3023.7107 3027.8273 3069.4819 3078.2329 3083.4330 3112.3957 3135.0287 3162.2265 3169.9321 3173.9954 3176.7410 3178.7435 3186.4137 3187.4820 3189.2483 3194.2544 3198.5148 3199.3222 3212.8145 7.2837 12.9757 8.0596 7.1957 7.0163 4.5632 6.1391 5.7975 7.1999 6.8458 10.2475 7.9798 4.1433 2.9932 7.1084 4.0515 3.4170 1.4087 4.9915 5.4223 1.5956 5.6262 5.2615 3.1940 4.2565 6.9662 5.2834 3.0287 5.1135 3.7972 6.4360 3.0216 4.2058 4.3466 4.1258 4.1992 3.9066 4.0646 5.0318 4.5532 7.6193 6.3988 5.9308 5.5576 4.5042 6.0988 2.3021 1.9676 4.5194 6.1990 2.7141 4.9506 2.5503 1.7395 3.6081 1.4945 3.1997 1.5731 1.6767 2.0241 2.0192 1.5658 2.8911 3.9692 1.5180 1.3562 1.4966 1.3352 1.8169 1.2968 5.9874 5.1527 2.5897 2.0777 3.2840 1.5759 1.4990 1.6020 1.6379 2.2470 2.6165 1.8241 1.1115 1.1924 1.1659 3.2843 2.4123 3.7933 2.8136 2.0127 1.3816 1.7285 1.9851 1.8035 1.8859 1.9780 1.6041 1.4017 1.3342 1.2744 1.8786 2.8019 1.0427 1.0546 2.3043 1.0522 1.1526 2.2818 2.3433 5.9554 5.9381 6.3188 6.0459 7.2870 11.7240 12.6714 1.0390 1.0389 1.0831 1.1020 1.1018 1.1002 1.0972 1.0895 1.0870 1.0883 1.0899 1.0888 1.0923 1.0864 1.0921 1.0948 1.0967 1.0983 1.0910 0.0013 0.0042 0.0035 0.0035 0.0062 0.0065 0.0121 0.0151 0.0205 0.0235 0.0458 0.0402 0.0330 0.0405 0.1101 0.0722 0.0730 0.0343 0.1394 0.1610 0.0506 0.2007 0.2319 0.1559 0.2340 0.4001 0.3390 0.2670 0.4694 0.3677 0.6735 0.3208 0.4656 0.4896 0.5475 0.5963 0.5659 0.6148 0.9223 0.8624 1.5191 1.2983 1.3701 1.3332 1.1150 1.5944 0.6740 0.5867 1.3737 1.9896 0.9256 1.8390 0.9493 0.6589 1.5063 0.6302 1.3647 0.7292 0.8158 1.0079 1.0124 0.7945 1.5435 2.1967 0.8553 0.7860 0.8744 0.7822 1.0869 0.7797 3.6357 3.1310 1.5912 1.3310 2.1327 1.0686 1.0691 1.1486 1.1826 1.6789 2.0287 1.4599 0.9145 0.9879 0.9691 2.8665 2.1720 3.4965 2.6460 1.9893 1.3831 1.7420 2.0370 1.8805 2.0160 2.1245 1.7524 1.5508 1.5676 1.5176 2.3030 3.5602 1.3409 1.3606 2.9816 1.3850 1.5252 3.0749 3.1778 9.2512 9.2639 10.0119 9.5853 11.7175 20.5644 41.5173 5.5971 5.6115 6.0124 6.1522 6.1721 6.2795 6.3537 6.4191 6.4357 6.4598 6.4803 6.4821 6.5344 6.5032 6.5446 6.5815 6.6105 6.6234 6.6351 0.0226 0.0796 1.1301 1.2211 0.4734 1.8792 1.5272 1.5167 0.5451 1.6971 5.7799 5.3512 0.4888 4.0046 1.3998 0.3907 3.0276 0.6072 4.7405 0.5432 0.0899 1.3899 4.3608 0.8877 8.3317 10.4167 1.3972 3.3464 4.1366 2.9133 15.5941 0.3538 12.8965 1.4540 26.2242 17.7745 16.9209 15.4204 5.0398 14.3818 2.7568 18.9090 3.6876 12.5668 1.3314 4.5253 70.9744 35.1232 0.5023 98.0052 26.5427 85.7862 77.8609 43.1551 61.6208 3.8336 10.8639 57.5773 35.1390 16.7110 37.3958 10.8521 33.5695 41.3493 17.5999 1.1639 25.3322 0.5092 44.6086 3.0943 3.6643 0.5335 2.9576 13.4965 201.4498 102.3689 18.3991 9.3780 4.9478 197.8380 22.8523 47.0714 1.0520 56.2128 10.1994 207.9734 190.7023 381.5776 410.3134 75.9207 43.3418 24.4343 5.7869 14.0797 3.1246 3.4313 26.3367 15.7008 18.5343 7.2975 22.2822 74.8291 3.1953 7.5811 16.8032 11.5364 3.1277 204.3362 30.9089 196.8147 15.4119 29.8152 27.9907 7.3708 773.2138 23.0629 22.0439 71.6462 10.9622 16.3457 53.0224 34.9091 15.3926 7.5810 4.7340 2.8148 1.2178 5.0503 9.4940 0.8339 15.2155 5.9474 6.0082 4.1007 3.0581 0.00 0.08 0.06 0.01 -0.02 0.09 0.04 -0.06 0.00 0.00 -0.07 0.01 -0.05 -0.07 -0.19 0.10 0.01 0.02 0.01 -0.04 -0.08 0.02 -0.02 -0.02 0.02 -0.08 -0.02 0.00 -0.01 -0.13 0.00 -0.07 -0.11 0.02 -0.02 0.02 0.02 -0.07 -0.00 0.01 0.01 0.05 0.04 -0.04 0.03 0.01 -0.03 0.06 0.07 -0.01 0.03 0.00 -0.05 -0.06 -0.00 -0.01 0.19 -0.03 -0.04 -0.06 -0.03 -0.00 0.20 -0.04 -0.02 0.07 -0.05 -0.01 -0.16 -0.06 0.01 -0.16 -0.04 0.05 -0.15 -0.06 0.08 -0.14 -0.04 0.13 -0.13 -0.05 0.14 -0.13 0.02 0.03 -0.01 0.02 -0.12 -0.01 -0.01 0.02 -0.14 -0.00 0.02 -0.11 -0.00 -0.04 -0.16 -0.01 -0.03 -0.13 -0.00 -0.11 -0.16 0.02 -0.10 -0.07 0.02 -0.07 0.01 0.04 -0.04 0.03 0.01 -0.07 -0.15 0.00 0.01 0.28 -0.04 0.02 0.30 -0.07 -0.02 0.07 -0.07 -0.04 -0.17 -0.03 0.04 -0.15 -0.07 0.09 -0.14 -0.04 0.17 -0.12 -0.06 0.20 -0.11 0.22 0.18 0.09 0.03 -0.02 -0.07 -0.03 -0.04 0.03 -0.02 0.03 0.03 -0.15 -0.06 -0.08 -0.03 -0.14 0.06 -0.00 -0.05 0.05 -0.01 -0.06 0.02 -0.02 -0.04 0.04 0.01 -0.07 0.08 -0.01 -0.04 0.06 -0.02 -0.07 -0.01 -0.02 -0.01 0.03 0.06 0.02 0.00 -0.04 -0.02 0.01 -0.07 -0.02 -0.07 -0.03 -0.09 0.04 -0.10 -0.04 -0.04 -0.08 0.02 -0.16 -0.13 -0.03 -0.10 -0.11 0.03 -0.22 -0.14 0.00 -0.19 -0.12 -0.05 -0.01 -0.06 -0.08 -0.02 -0.15 -0.01 0.06 -0.04 -0.07 0.04 -0.12 0.01 0.12 -0.07 -0.03 0.11 0.01 -0.07 0.03 -0.03 -0.02 0.03 0.02 -0.08 0.09 0.01 -0.08 0.07 0.01 -0.05 0.10 0.01 -0.07 0.06 -0.00 -0.02 0.09 -0.03 -0.03 0.03 -0.10 -0.15 -0.06 -0.02 0.03 0.03 -0.09 -0.07 0.02 -0.05 0.04 -0.18 -0.12 0.06 -0.29 -0.16 0.01 -0.24 -0.04 -0.12 -0.07 -0.20 0.01 0.06 0.01 -0.10 0.03 -0.14 0.04 0.17 -0.04 -0.02 0.15 0.01 -0.09 -0.05 0.10 0.11 -0.01 0.04 -0.08 -0.03 0.08 0.00 -0.05 -0.14 -0.09 -0.10 -0.01 0.09 -0.12 -0.00 0.03 0.05 0.04 0.03 0.02 0.05 0.02 0.01 -0.05 -0.02 0.06 -0.01 0.10 0.09 0.07 0.08 0.02 0.06 -0.02 -0.03 0.06 0.04 -0.01 0.03 -0.03 -0.06 -0.02 -0.02 -0.00 0.01 0.03 -0.09 -0.05 -0.06 -0.08 -0.04 0.02 0.12 -0.10 -0.05 -0.03 -0.09 0.03 0.17 -0.12 -0.00 0.09 -0.10 -0.07 -0.02 -0.04 -0.11 -0.03 -0.14 0.00 0.07 -0.01 -0.08 0.05 -0.10 0.04 0.15 -0.04 0.00 0.14 0.03 -0.01 0.01 0.08 0.06 0.01 -0.09 0.00 0.08 -0.04 -0.06 0.04 -0.08 -0.03 0.07 -0.04 0.11 0.11 -0.03 0.10 0.10 0.02 0.13 0.07 0.10 0.16 0.04 0.06 -0.05 -0.10 -0.03 -0.09 -0.17 -0.02 0.05 0.19 -0.11 0.07 0.27 -0.16 0.00 0.13 -0.02 -0.17 -0.10 -0.19 0.03 0.08 0.05 -0.11 0.04 -0.13 0.09 0.22 -0.01 0.03 0.20 -0.08 -0.01 -0.05 0.01 0.04 0.03 0.06 -0.02 0.05 -0.04 -0.00 0.07 -0.06 -0.04 -0.06 0.24 -0.17 0.23 -0.00 0.03 -0.11 0.03 0.06 -0.04 -0.00 -0.01 -0.03 0.00 0.07 -0.15 -0.03 -0.00 -0.17 0.03 0.06 -0.02 0.00 -0.01 0.03 -0.00 0.04 -0.01 0.07 -0.00 0.11 0.03 0.01 0.02 0.16 -0.09 0.17 0.00 -0.02 0.02 0.02 0.05 -0.06 -0.03 -0.01 -0.06 -0.02 0.06 -0.13 -0.04 0.03 -0.13 -0.03 -0.04 0.00 0.04 0.00 0.02 -0.07 -0.08 0.05 0.07 0.00 0.09 -0.04 -0.08 0.11 0.03 -0.04 0.13 0.05 0.11 -0.02 -0.03 -0.06 -0.02 0.00 0.11 -0.19 0.01 0.10 -0.12 -0.01 0.03 -0.18 -0.04 0.07 -0.21 -0.06 -0.06 -0.22 -0.02 -0.04 -0.12 0.06 0.08 -0.00 0.04 0.07 0.18 0.01 -0.05 0.07 0.04 0.07 -0.06 -0.02 0.09 -0.19 -0.07 0.04 -0.19 0.06 0.03 -0.01 -0.12 -0.11 0.03 0.12 0.04 0.10 -0.06 -0.11 0.14 0.05 -0.04 0.18 -0.05 0.08 -0.00 -0.08 -0.05 -0.00 0.05 -0.02 -0.02 0.01 0.24 -0.03 0.01 -0.06 -0.02 0.08 -0.07 0.01 0.03 0.09 0.04 0.01 0.07 -0.01 0.02 0.12 -0.01 0.02 0.06 0.07 0.04 0.12 0.08 -0.01 0.05 -0.01 0.02 0.12 -0.03 -0.04 0.03 -0.01 0.05 -0.03 -0.01 0.06 -0.03 -0.02 0.06 -0.05 0.00 0.05 -0.04 -0.08 0.05 -0.02 0.06 0.03 -0.04 -0.02 0.03 -0.02 0.10 0.02 -0.02 0.06 0.02 -0.09 -0.02 0.03 -0.23 -0.08 0.02 0.01 0.03 0.03 -0.27 -0.08 0.02 -0.02 0.03 0.03 -0.17 -0.03 -0.01 0.05 -0.03 0.03 0.16 -0.02 0.01 0.02 0.13 -0.01 0.03 0.02 0.05 0.10 0.09 0.04 0.08 0.11 0.06 0.16 0.11 0.04 0.15 0.05 -0.01 0.03 -0.02 0.04 -0.02 0.00 0.06 -0.05 -0.14 0.05 -0.01 0.11 0.03 -0.01 0.16 0.01 -0.02 0.11 0.02 -0.31 -0.11 0.01 0.12 0.07 0.04 -0.38 -0.12 0.02 0.06 0.06 0.03 -0.20 -0.03 -0.01 -0.04 -0.00 0.02 0.02 0.02 0.02 0.00 0.01 0.03 -0.05 0.02 0.01 0.01 0.13 0.03 -0.06 0.04 0.01 0.01 -0.01 0.02 0.02 0.02 0.02 -0.01 0.01 -0.00 0.02 -0.03 0.00 0.00 -0.02 0.03 0.03 0.03 0.02 -0.02 0.01 0.02 0.01 0.02 0.01 0.00 0.00 0.01 0.00 -0.02 0.02 -0.03 0.02 0.00 0.00 0.06 0.01 0.01 -0.12 0.00 0.00 0.06 0.01 0.01 -0.12 0.01 0.00 -0.03 -0.03 0.00 0.05 -0.12 -0.16 -0.02 0.03 0.19 0.04 -0.17 -0.14 -0.10 -0.01 0.22 -0.04 -0.11 0.06 -0.11 0.03 0.03 0.02 0.03 -0.03 0.02 -0.01 0.04 -0.04 0.00 0.02 -0.02 -0.01 -0.00 -0.04 -0.01 0.03 -0.03 -0.01 -0.02 -0.04 0.02 -0.01 -0.00 0.04 0.05 0.04 0.02 0.02 0.02 -0.00 -0.00 0.12 0.02 0.01 -0.19 0.01 0.01 -0.20 0.00 0.00 -0.03 -0.17 -0.31 -0.01 0.11 0.33 0.10 -0.24 -0.27 -0.15 0.03 0.36 -0.05 -0.14 0.08 -0.17 -0.02 -0.02 -0.03 0.05 0.04 0.03 -0.05 0.01 -0.04 -0.14 0.23 -0.04 0.01 0.04 -0.02 0.06 -0.06 0.07 0.02 -0.13 -0.01 -0.08 -0.18 -0.09 -0.07 -0.04 -0.07 0.11 -0.12 0.06 0.06 -0.16 0.02 -0.08 -0.18 -0.09 -0.10 0.08 -0.05 -0.03 -0.08 -0.04 -0.05 0.02 0.01 -0.03 0.01 -0.01 0.01 -0.02 0.04 -0.02 0.03 -0.04 -0.03 -0.00 0.03 0.00 0.03 -0.02 -0.01 -0.01 0.04 0.01 0.01 0.02 0.03 0.06 0.01 0.05 -0.01 -0.02 0.02 0.14 0.06 0.05 -0.01 0.00 0.03 0.14 0.08 0.05 0.06 0.05 -0.09 -0.20 -0.10 -0.12 -0.00 -0.09 0.16 -0.22 0.09 0.07 -0.11 0.04 0.16 -0.03 0.12 0.12 -0.29 0.04 0.13 -0.07 0.10 -0.02 -0.15 -0.04 -0.10 -0.22 -0.10 -0.07 0.03 0.04 -0.02 0.05 -0.06 -0.04 -0.02 0.05 -0.00 -0.03 0.07 0.02 0.00 0.04 0.05 -0.07 -0.05 0.00 0.20 0.08 0.07 -0.07 -0.02 0.02 0.20 0.11 0.05 0.06 0.06 -0.02 0.05 -0.02 0.04 0.03 0.05 0.03 -0.08 -0.07 0.00 0.10 -0.08 -0.01 -0.04 0.13 0.17 -0.00 -0.02 0.01 -0.01 0.03 -0.00 -0.05 -0.06 0.02 0.02 -0.06 0.00 -0.07 0.10 0.03 0.05 0.10 0.01 -0.02 -0.05 0.01 0.02 -0.07 0.02 0.01 -0.02 0.03 -0.04 -0.04 0.00 -0.04 -0.01 0.09 -0.02 -0.03 -0.01 -0.04 0.08 0.00 -0.03 -0.07 -0.02 -0.04 0.09 -0.01 -0.02 -0.04 -0.02 -0.03 0.04 -0.05 -0.06 0.05 -0.13 0.07 0.09 -0.01 -0.17 -0.07 -0.16 0.10 0.03 -0.05 -0.14 -0.14 -0.12 0.01 -0.08 -0.02 -0.10 -0.08 0.02 0.09 -0.07 -0.00 -0.12 0.14 -0.00 -0.12 0.06 0.01 -0.03 0.14 0.03 -0.03 0.14 0.05 0.11 0.17 0.01 0.10 0.04 0.02 -0.03 -0.05 0.03 -0.04 -0.03 -0.01 -0.05 0.12 0.01 -0.02 -0.15 -0.01 -0.02 -0.09 -0.03 -0.03 0.05 -0.15 0.15 0.17 0.05 -0.28 -0.10 -0.23 0.21 0.07 -0.02 -0.22 -0.22 -0.15 0.05 -0.13 0.03 -0.02 0.04 0.05 0.12 0.04 -0.04 0.08 0.04 -0.06 0.04 0.05 0.00 0.05 0.01 -0.12 0.04 0.02 0.01 -0.03 -0.04 -0.03 -0.02 0.02 -0.03 -0.04 0.02 0.05 0.03 -0.08 0.02 -0.11 -0.08 -0.03 -0.03 0.03 -0.04 0.03 0.04 -0.00 0.00 0.04 -0.04 0.05 0.03 -0.01 0.05 0.02 -0.07 0.05 0.03 0.00 0.05 -0.01 -0.01 0.04 0.03 0.01 0.05 -0.01 0.00 0.04 0.01 0.01 0.05 -0.01 -0.01 -0.04 -0.05 -0.02 -0.08 -0.06 -0.01 -0.13 -0.09 -0.02 -0.21 -0.12 -0.01 -0.25 -0.14 -0.02 -0.30 -0.16 -0.02 0.02 0.03 -0.05 -0.09 0.03 0.07 0.03 -0.10 0.03 0.08 -0.05 0.07 0.03 -0.11 0.03 -0.09 -0.11 0.04 -0.13 -0.12 0.00 -0.16 -0.04 -0.04 -0.03 0.03 -0.04 0.05 0.03 0.00 0.06 -0.01 -0.01 0.04 0.05 0.00 0.03 0.01 0.02 0.05 -0.02 -0.02 -0.02 -0.03 -0.00 -0.11 -0.08 -0.03 -0.25 -0.13 -0.01 -0.31 -0.17 -0.02 -0.39 -0.20 0.03 -0.04 0.02 -0.00 -0.01 -0.01 0.03 -0.09 0.05 -0.03 0.40 0.01 -0.00 -0.06 0.04 -0.20 -0.04 -0.07 0.06 0.04 -0.09 0.04 0.08 0.04 0.03 -0.01 0.04 0.04 0.11 -0.19 0.05 -0.05 -0.16 0.03 0.05 0.05 0.01 0.12 0.04 0.02 0.01 0.03 0.01 -0.06 -0.00 -0.00 -0.06 -0.00 -0.08 -0.05 -0.03 -0.01 -0.07 0.03 -0.00 -0.06 -0.02 -0.01 -0.07 0.04 -0.00 -0.06 -0.00 -0.01 -0.07 0.03 -0.02 -0.04 0.03 -0.04 0.03 0.05 -0.00 -0.04 -0.00 -0.06 0.11 0.05 -0.01 0.03 -0.00 -0.04 0.11 0.03 0.07 0.17 0.07 0.01 -0.09 0.05 0.02 0.13 -0.18 -0.02 0.17 -0.20 0.09 0.09 -0.27 0.02 0.07 -0.21 0.03 -0.14 -0.28 0.09 -0.13 -0.05 0.04 0.05 0.06 0.05 -0.07 -0.04 -0.01 -0.07 0.04 0.00 -0.06 -0.05 -0.01 -0.06 -0.02 -0.01 -0.07 0.03 -0.05 0.03 0.07 0.02 -0.10 -0.02 -0.08 0.17 0.08 0.00 0.02 -0.03 -0.05 0.17 0.03 0.07 -0.09 0.14 -0.09 0.06 -0.07 -0.03 -0.03 -0.14 0.00 0.08 -0.16 0.02 0.04 0.02 0.41 0.03 0.01 -0.07 -0.01 -0.01 -0.11 0.01 0.08 -0.00 -0.04 -0.03 -0.20 0.03 -0.16 0.02 -0.04 0.08 -0.10 0.02 0.14 -0.02 0.00 -0.13 -0.07 0.00 0.11 -0.02 0.01 -0.08 -0.03 0.01 -0.06 0.15 0.01 -0.04 -0.01 0.03 -0.05 -0.02 -0.01 -0.03 0.01 0.02 -0.00 -0.00 -0.01 0.02 0.01 0.00 0.03 0.02 0.03 0.01 0.02 0.03 0.01 0.02 0.02 0.01 0.02 0.01 0.00 0.02 -0.01 -0.00 0.02 -0.02 -0.01 -0.17 0.02 0.05 0.09 -0.09 0.01 -0.29 0.13 -0.15 -0.24 0.06 -0.17 -0.19 -0.06 -0.28 -0.05 -0.02 0.16 0.08 -0.06 0.00 0.10 -0.06 0.16 -0.10 0.02 0.14 -0.05 0.03 -0.03 -0.02 0.04 -0.06 -0.03 -0.02 -0.04 0.00 -0.03 0.04 0.02 -0.00 0.07 0.02 0.05 0.02 0.02 0.02 0.01 0.02 0.00 0.00 0.02 -0.03 -0.01 0.02 -0.04 -0.01 -0.01 0.01 -0.01 -0.00 -0.01 0.00 0.03 -0.12 0.08 -0.09 0.12 0.08 0.01 -0.06 -0.05 0.11 0.50 -0.11 -0.05 -0.03 0.01 -0.01 -0.03 -0.00 -0.04 -0.04 0.02 -0.06 -0.05 0.03 -0.09 0.00 -0.01 -0.01 -0.01 -0.01 -0.03 -0.01 0.06 -0.00 -0.01 -0.01 0.03 -0.05 0.11 0.01 -0.05 0.16 0.05 0.17 0.02 0.01 -0.06 0.14 0.02 -0.05 0.01 0.01 -0.05 -0.03 0.02 -0.05 -0.18 0.02 -0.05 -0.21 0.02 -0.03 -0.03 0.03 -0.07 -0.04 0.02 0.03 0.00 0.03 -0.06 -0.03 0.02 0.04 0.02 0.03 -0.01 0.00 0.01 -0.03 0.01 -0.06 -0.03 0.01 -0.07 -0.02 0.00 -0.02 -0.08 0.06 -0.12 -0.08 0.04 -0.10 0.04 -0.03 -0.14 -0.02 -0.01 -0.08 0.02 -0.02 -0.01 -0.01 -0.01 0.05 -0.10 0.06 0.01 -0.07 0.22 0.02 -0.04 0.01 0.03 -0.04 -0.31 0.03 -0.04 -0.37 0.03 -0.11 -0.06 0.01 0.06 0.02 0.04 -0.09 -0.04 0.02 0.08 0.04 0.03 0.00 0.01 -0.04 0.01 0.03 -0.05 0.06 -0.06 0.02 0.02 0.01 0.03 -0.12 0.03 -0.02 -0.08 -0.02 -0.02 0.05 -0.03 0.08 0.00 0.01 -0.03 -0.01 0.01 0.01 0.06 -0.01 0.18 0.08 0.00 0.21 -0.12 0.06 -0.07 -0.04 0.01 0.02 -0.00 0.01 -0.06 -0.02 0.01 0.04 -0.03 0.02 0.05 -0.03 0.03 0.01 0.00 0.00 0.03 -0.05 0.04 0.04 -0.01 0.00 0.01 -0.05 0.00 0.02 -0.01 -0.03 0.00 -0.03 -0.03 -0.02 -0.06 -0.01 -0.02 -0.04 0.00 -0.01 -0.04 -0.00 -0.02 0.03 0.02 -0.01 0.02 0.02 -0.02 0.07 0.03 -0.06 0.01 -0.00 0.01 0.03 -0.00 0.24 -0.15 0.16 -0.02 0.16 -0.14 0.43 0.27 -0.00 0.26 -0.27 0.10 0.36 -0.02 0.07 0.12 -0.16 0.04 -0.08 -0.06 0.00 0.02 -0.06 0.01 0.04 -0.07 0.05 0.06 -0.00 -0.01 0.01 0.01 -0.05 -0.02 -0.02 -0.06 -0.03 -0.06 -0.00 -0.01 -0.07 -0.01 -0.03 0.06 0.03 -0.01 0.05 0.02 -0.02 0.12 0.05 0.03 -0.02 -0.00 -0.00 -0.00 0.02 -0.07 0.00 -0.00 0.01 -0.03 -0.01 0.01 0.02 0.01 0.15 0.05 -0.01 0.02 0.06 -0.01 0.02 0.06 -0.00 -0.03 0.06 0.04 0.18 0.06 0.10 -0.06 0.03 -0.13 0.00 0.02 -0.00 -0.03 0.01 0.02 -0.00 0.01 -0.00 -0.08 -0.02 -0.03 -0.08 -0.03 -0.04 -0.02 -0.01 -0.02 -0.06 -0.01 -0.04 -0.07 -0.07 -0.02 -0.02 -0.02 -0.01 -0.04 -0.08 0.01 -0.01 -0.05 0.01 0.00 0.03 0.01 0.01 0.02 0.00 0.00 0.02 0.00 0.01 -0.01 -0.00 0.00 -0.01 -0.00 0.00 -0.03 -0.01 0.05 0.10 0.02 -0.04 0.07 0.03 0.26 -0.25 0.30 -0.03 0.09 -0.07 0.42 0.34 0.19 -0.08 0.20 -0.23 -0.17 -0.09 -0.23 -0.03 -0.02 -0.06 0.01 0.02 -0.00 -0.08 -0.01 -0.03 -0.07 0.02 -0.05 -0.09 -0.09 -0.02 -0.03 -0.10 0.03 0.01 -0.06 0.04 0.01 0.03 0.01 0.00 0.03 0.01 0.01 -0.02 -0.01 0.00 -0.02 -0.01 0.00 -0.05 -0.02 0.10 -0.07 0.02 -0.06 0.01 0.08 0.01 0.14 -0.07 -0.09 -0.04 -0.04 -0.02 -0.10 -0.02 -0.09 -0.00 -0.01 -0.05 0.04 -0.05 -0.06 0.00 -0.13 -0.07 0.09 -0.12 0.03 -0.01 0.07 -0.14 0.12 -0.09 -0.08 -0.04 -0.07 -0.05 0.06 -0.09 -0.08 -0.01 -0.03 0.06 0.03 0.01 0.14 0.02 0.02 0.03 0.02 0.01 0.13 -0.01 0.02 0.13 0.07 -0.00 0.06 -0.01 0.01 0.08 0.08 -0.01 0.04 0.05 -0.01 -0.02 -0.15 -0.02 -0.03 -0.13 -0.01 -0.01 -0.13 -0.02 -0.04 0.03 0.03 -0.01 0.02 0.02 -0.03 0.13 0.06 -0.09 -0.02 -0.14 -0.08 0.16 -0.14 0.09 -0.05 0.04 0.09 -0.04 0.11 -0.02 0.04 0.17 -0.12 0.15 -0.14 -0.23 0.11 -0.03 -0.15 0.17 -0.15 -0.05 -0.10 -0.07 -0.02 -0.02 0.04 0.14 -0.04 0.01 0.17 0.10 -0.01 0.06 0.12 -0.03 0.01 0.06 -0.02 -0.04 -0.18 -0.02 -0.00 -0.18 -0.04 -0.05 0.08 0.05 -0.01 0.08 0.02 -0.03 0.28 0.11 -0.07 0.01 0.08 0.01 0.03 -0.08 0.06 -0.03 -0.00 0.03 0.05 -0.01 0.00 -0.00 0.00 -0.03 -0.03 -0.02 0.01 -0.06 0.01 0.04 -0.05 0.00 0.04 -0.08 0.02 0.07 -0.13 0.13 -0.17 0.02 -0.13 0.02 -0.06 0.03 0.05 -0.03 -0.00 0.00 -0.04 0.06 0.06 0.01 -0.02 0.05 0.02 -0.03 0.03 -0.00 -0.02 0.04 0.01 -0.02 0.04 0.05 -0.03 0.02 0.02 0.00 0.02 0.05 0.01 0.01 0.04 0.03 0.00 -0.01 -0.00 -0.00 -0.01 0.00 0.00 -0.01 -0.00 -0.00 0.01 0.00 0.00 0.00 -0.00 -0.00 0.02 0.00 0.04 -0.03 0.01 0.05 -0.05 0.01 0.12 -0.18 0.12 0.13 -0.18 0.15 0.02 -0.07 0.25 -0.28 0.37 -0.25 -0.40 -0.24 -0.30 0.00 -0.02 0.01 0.04 -0.07 0.04 0.08 0.03 -0.03 0.04 -0.00 -0.03 0.06 0.06 -0.04 0.02 0.07 0.02 -0.01 0.04 0.06 -0.00 -0.01 0.00 0.00 -0.02 -0.01 -0.00 0.02 0.01 0.00 0.00 -0.00 -0.00 0.03 0.01 -0.03 0.02 -0.00 0.04 -0.02 -0.02 -0.09 0.15 0.03 0.00 0.00 0.04 0.01 -0.03 0.03 0.12 0.08 0.01 0.01 -0.01 0.03 0.01 -0.00 0.06 -0.02 -0.01 0.08 -0.00 0.02 -0.01 -0.01 -0.05 -0.01 0.01 -0.00 0.02 -0.03 0.05 0.06 0.02 -0.01 0.01 -0.08 0.03 -0.02 -0.00 0.00 -0.10 -0.06 0.00 -0.00 0.02 0.02 -0.14 0.00 -0.03 -0.06 0.03 0.00 -0.04 0.02 -0.03 0.01 0.03 -0.01 0.04 0.00 -0.11 -0.01 -0.02 -0.11 -0.01 0.01 -0.12 -0.02 -0.03 0.01 0.02 0.01 0.01 0.00 -0.01 0.11 0.04 0.03 0.02 0.08 -0.03 -0.04 0.08 0.00 0.34 -0.32 0.29 0.02 0.27 -0.32 -0.25 -0.03 0.08 -0.14 -0.05 0.01 0.02 0.07 -0.12 -0.05 -0.08 -0.02 0.01 0.01 -0.10 0.03 -0.00 0.02 0.03 -0.17 -0.01 -0.04 -0.05 0.02 -0.05 0.07 0.04 -0.02 0.14 -0.03 -0.16 -0.01 0.03 -0.16 -0.04 -0.04 0.06 0.04 0.02 0.04 0.00 -0.02 0.24 0.08 -0.00 0.01 -0.02 0.02 -0.02 0.00 -0.02 0.03 -0.01 -0.01 0.00 -0.01 0.00 -0.00 0.01 -0.00 0.00 0.02 -0.03 -0.02 0.03 -0.03 -0.01 0.04 -0.01 -0.02 0.01 -0.06 0.01 -0.02 -0.00 -0.04 0.05 -0.01 0.01 0.02 -0.01 0.00 -0.01 0.01 0.01 -0.01 -0.01 0.02 0.00 0.01 0.01 0.00 -0.01 0.01 0.01 0.02 0.02 -0.01 0.01 0.01 0.02 0.02 0.01 -0.01 0.01 0.02 -0.00 0.02 0.02 -0.02 0.00 -0.04 -0.00 -0.00 -0.04 -0.00 0.01 -0.04 -0.01 -0.01 0.00 0.01 0.00 0.00 0.00 -0.00 0.04 0.01 -0.03 -0.03 0.03 0.01 -0.02 0.02 -0.09 -0.21 0.24 -0.33 0.07 -0.25 0.24 0.20 -0.08 -0.22 0.31 0.09 -0.06 -0.31 -0.28 0.29 -0.14 0.35 -0.02 0.04 0.01 -0.03 0.01 0.01 0.02 0.02 -0.02 0.01 0.01 0.03 0.01 0.01 0.00 0.02 0.02 -0.02 -0.01 -0.06 -0.00 0.01 -0.06 -0.01 -0.01 0.01 0.01 0.01 0.02 0.00 -0.00 0.09 0.03 -0.03 -0.00 0.04 0.05 -0.02 -0.03 -0.08 0.06 -0.11 0.05 0.00 -0.14 0.01 0.02 0.05 -0.02 -0.08 0.05 0.01 0.03 -0.03 0.02 0.02 -0.02 0.01 0.03 -0.02 0.03 0.02 -0.00 -0.00 0.06 -0.03 0.03 0.01 0.03 -0.02 0.03 -0.09 0.03 0.00 0.03 -0.06 0.02 -0.00 -0.04 -0.00 0.15 -0.02 0.05 -0.01 -0.02 0.02 0.05 -0.04 -0.03 0.28 0.01 0.01 -0.07 -0.00 -0.03 -0.01 0.03 -0.01 -0.27 0.01 -0.04 0.04 -0.02 -0.05 0.04 0.02 -0.04 0.02 -0.04 -0.01 0.02 0.01 0.00 -0.00 -0.03 0.03 0.01 0.01 0.05 -0.02 0.03 0.03 -0.02 0.04 0.04 -0.04 0.08 -0.00 0.04 -0.02 -0.01 0.02 0.09 -0.09 -0.04 0.01 0.17 0.12 -0.11 0.11 -0.16 0.06 0.01 0.04 -0.13 -0.07 -0.01 -0.02 0.03 0.05 -0.07 -0.05 0.49 0.00 -0.05 -0.05 0.06 -0.01 -0.51 -0.04 -0.06 0.06 0.05 -0.05 0.02 -0.07 -0.00 0.02 0.02 0.02 -0.02 -0.04 0.07 -0.00 -0.02 0.00 0.02 0.06 -0.02 -0.02 -0.10 0.14 -0.07 0.03 0.00 -0.10 -0.04 -0.08 -0.14 0.02 -0.02 0.03 0.01 0.03 0.02 -0.01 0.01 0.02 -0.01 0.05 0.01 0.00 0.05 -0.01 0.00 0.02 -0.00 -0.01 -0.02 0.02 -0.04 0.06 -0.05 0.01 -0.03 0.01 -0.06 -0.00 -0.01 0.02 -0.03 0.11 -0.04 0.02 -0.01 0.02 -0.04 0.33 0.04 -0.03 -0.12 0.00 -0.03 0.17 0.01 -0.03 -0.02 -0.00 -0.03 0.15 -0.04 0.03 -0.10 0.02 0.04 -0.09 -0.08 0.04 -0.04 0.07 -0.01 -0.04 -0.04 0.01 0.03 0.03 -0.05 0.02 -0.02 0.02 0.01 0.00 0.06 0.01 0.00 0.19 -0.13 0.11 0.06 0.10 -0.12 -0.06 -0.03 -0.08 0.17 -0.01 -0.05 -0.10 -0.13 0.11 -0.02 0.11 -0.02 -0.02 0.01 -0.15 -0.10 -0.00 0.02 -0.04 0.40 0.06 -0.02 -0.37 0.01 -0.02 -0.14 0.00 -0.03 0.11 0.05 0.06 -0.14 -0.14 0.06 -0.04 0.13 -0.04 -0.04 -0.07 0.00 0.08 0.05 -0.10 0.05 0.01 0.00 -0.02 -0.03 0.02 0.02 0.01 0.01 0.00 0.06 -0.01 -0.01 -0.00 -0.00 0.01 0.01 -0.01 -0.01 0.05 0.00 0.04 0.01 -0.01 0.01 0.02 0.03 0.02 0.02 0.01 0.01 0.03 -0.02 0.00 -0.04 -0.06 -0.03 0.03 0.02 0.01 -0.04 -0.05 -0.03 0.00 -0.01 -0.01 -0.00 -0.01 0.02 -0.00 -0.00 -0.02 -0.01 -0.02 -0.00 -0.01 -0.01 0.05 -0.01 -0.01 -0.02 -0.01 -0.01 0.00 -0.01 -0.02 -0.05 -0.00 0.02 0.02 -0.01 0.03 0.02 0.00 0.02 0.02 -0.01 0.00 0.01 -0.00 0.00 -0.00 -0.01 -0.02 -0.01 0.01 -0.02 0.01 0.03 0.04 0.02 0.01 0.29 -0.25 0.29 -0.03 0.25 -0.28 -0.24 0.01 -0.16 0.34 -0.01 -0.07 -0.30 -0.30 0.29 -0.13 0.27 -0.06 -0.07 -0.05 0.01 -0.02 -0.02 -0.01 -0.02 -0.01 -0.01 -0.02 0.09 -0.01 -0.01 0.00 -0.00 -0.02 -0.09 -0.01 0.03 0.03 0.01 0.03 0.02 -0.02 -0.00 0.00 0.00 -0.01 -0.01 -0.01 -0.05 -0.03 -0.03 -0.01 0.07 0.10 -0.03 -0.03 0.04 0.01 0.04 -0.10 -0.07 0.09 -0.00 -0.01 0.01 -0.02 0.07 -0.02 0.02 0.09 -0.04 -0.03 0.01 -0.12 -0.04 0.16 -0.10 -0.06 0.09 -0.09 0.03 0.19 0.05 -0.08 -0.16 -0.06 -0.04 0.06 0.01 -0.07 -0.14 -0.03 0.03 -0.03 0.04 0.01 -0.03 -0.07 0.03 -0.05 0.05 -0.01 -0.04 -0.14 0.00 -0.02 -0.02 -0.02 -0.04 -0.06 -0.01 -0.02 0.00 -0.02 -0.04 0.00 0.00 0.04 0.04 -0.01 0.06 0.05 0.01 0.06 0.04 -0.03 0.02 0.02 -0.00 0.00 -0.01 -0.02 -0.05 -0.02 -0.07 0.01 -0.14 -0.09 0.20 -0.13 -0.12 0.13 -0.05 -0.11 0.11 -0.14 -0.01 0.06 -0.18 -0.14 0.37 0.14 -0.02 0.08 -0.07 0.26 0.23 0.16 -0.08 -0.25 -0.08 0.03 0.02 0.07 -0.00 -0.05 -0.17 0.00 -0.02 0.02 -0.02 -0.01 0.05 -0.04 -0.04 0.07 -0.02 0.08 0.07 0.03 0.08 0.05 -0.05 0.02 0.01 0.01 -0.02 -0.03 -0.03 -0.11 -0.06 -0.00 0.00 -0.01 0.01 -0.02 -0.00 -0.02 0.15 -0.03 -0.05 0.01 -0.01 -0.03 -0.11 -0.06 0.02 0.03 -0.04 -0.07 -0.03 0.04 -0.05 -0.01 0.05 -0.04 -0.03 0.01 -0.00 0.02 0.05 -0.06 -0.12 -0.01 0.03 0.10 0.06 -0.04 0.03 -0.03 0.06 0.10 0.04 0.04 -0.03 -0.00 0.16 -0.05 -0.04 0.01 -0.06 -0.00 0.13 -0.08 -0.11 0.15 -0.01 0.03 0.02 -0.07 -0.06 0.07 0.02 0.00 0.02 -0.03 -0.05 -0.02 0.07 0.07 -0.06 0.17 0.11 -0.03 0.16 0.10 -0.09 0.04 0.03 -0.05 -0.00 0.01 -0.09 -0.16 -0.05 -0.06 -0.05 0.03 -0.01 -0.01 0.02 0.05 -0.03 0.03 -0.01 0.06 0.07 0.03 0.06 0.06 0.02 -0.19 -0.06 -0.02 -0.09 0.01 -0.16 -0.18 -0.02 0.04 0.17 0.08 -0.05 -0.09 0.03 0.14 -0.13 -0.15 0.18 0.03 0.11 0.04 0.08 0.04 -0.02 -0.02 -0.06 -0.07 0.23 0.16 -0.02 0.22 0.13 -0.10 0.03 0.03 -0.04 -0.04 -0.03 -0.10 -0.36 -0.14 -0.00 -0.01 0.02 -0.01 -0.01 -0.01 0.00 -0.00 -0.03 -0.11 -0.03 -0.00 0.01 0.02 0.02 -0.06 0.05 0.03 0.00 -0.00 -0.05 0.01 -0.00 -0.11 -0.03 0.03 -0.12 0.06 -0.05 0.04 0.09 -0.03 0.04 0.12 0.15 0.02 -0.05 -0.00 -0.06 0.10 0.18 0.07 -0.00 0.00 0.05 -0.04 0.00 -0.01 0.04 -0.01 0.08 -0.04 -0.00 -0.02 -0.04 -0.02 -0.03 -0.02 -0.00 -0.00 -0.02 -0.03 -0.01 -0.02 -0.02 0.03 0.01 -0.00 -0.00 0.01 -0.02 -0.01 0.01 -0.02 -0.01 0.01 -0.01 -0.01 0.01 -0.00 -0.01 0.02 0.02 0.00 -0.03 -0.07 -0.14 -0.06 0.09 -0.15 0.11 0.06 -0.14 0.28 -0.12 0.21 -0.17 -0.15 0.15 -0.10 0.17 0.14 0.13 -0.20 -0.23 0.34 -0.12 0.28 0.22 0.20 0.07 -0.03 0.05 0.10 -0.04 0.01 -0.03 -0.05 -0.03 -0.04 -0.02 -0.04 -0.00 -0.01 -0.02 0.07 0.01 -0.02 -0.02 0.01 -0.03 -0.02 0.01 -0.01 -0.01 0.01 -0.00 -0.00 0.02 0.04 0.01 -0.00 0.00 -0.00 0.05 -0.03 -0.00 0.06 -0.16 -0.01 -0.10 -0.03 0.02 0.00 0.02 0.02 0.02 -0.08 -0.08 -0.10 0.05 0.10 -0.12 0.02 0.04 -0.08 0.10 0.00 0.04 0.20 0.07 -0.07 -0.14 -0.01 -0.08 0.04 0.05 -0.04 -0.03 -0.03 -0.01 0.03 -0.00 0.06 -0.03 -0.06 0.00 0.01 0.01 0.04 -0.00 -0.11 -0.01 0.00 0.05 -0.01 0.08 0.02 -0.02 0.01 0.02 -0.03 0.09 0.01 -0.04 0.07 -0.02 0.02 -0.01 0.01 0.03 -0.03 -0.00 0.04 -0.02 -0.02 0.03 -0.01 -0.01 0.04 0.00 -0.02 0.04 0.03 -0.01 -0.17 -0.05 0.00 -0.04 0.20 -0.01 0.14 0.31 -0.17 0.17 0.29 0.28 -0.09 0.08 0.06 0.03 -0.17 -0.12 -0.01 -0.16 -0.08 -0.20 -0.28 0.04 -0.10 0.07 0.04 0.12 -0.03 -0.11 -0.01 -0.01 0.06 0.02 0.11 0.02 -0.04 0.11 0.00 -0.09 0.08 -0.05 0.03 -0.04 -0.01 0.07 -0.04 -0.02 0.01 -0.01 -0.01 0.05 0.01 -0.02 0.04 0.07 -0.01 0.00 0.01 -0.02 0.01 -0.00 0.00 -0.01 -0.03 -0.12 0.16 0.01 -0.25 -0.00 -0.02 0.01 -0.20 0.17 0.11 -0.02 0.02 0.06 -0.04 0.01 0.09 0.02 0.01 0.06 0.01 0.08 0.02 -0.06 -0.05 -0.03 -0.07 -0.03 0.03 0.01 -0.02 -0.12 -0.04 -0.06 -0.02 0.04 -0.01 0.19 -0.03 -0.00 -0.02 0.20 -0.05 0.30 -0.06 -0.04 -0.11 -0.04 0.01 -0.08 -0.05 -0.05 -0.03 -0.05 0.01 -0.02 -0.07 -0.02 0.08 0.03 -0.01 0.03 0.03 -0.02 0.03 0.06 -0.00 0.00 0.01 0.00 0.00 0.05 0.01 -0.03 0.03 0.01 -0.03 -0.05 0.03 0.09 0.11 0.02 0.09 0.03 0.11 -0.03 0.02 0.13 0.07 0.01 0.05 -0.01 0.06 -0.12 -0.14 -0.08 -0.00 0.04 -0.22 -0.07 -0.11 -0.13 -0.03 0.01 -0.10 0.13 0.39 -0.05 -0.05 -0.14 -0.03 0.02 -0.11 -0.05 0.02 -0.01 -0.12 -0.02 0.22 0.02 -0.03 0.04 0.11 -0.01 0.01 -0.02 0.01 0.00 0.06 0.00 -0.05 0.02 0.02 -0.05 -0.00 0.00 -0.00 0.01 -0.01 0.00 0.04 -0.12 -0.02 0.00 -0.01 -0.03 0.05 0.14 0.05 -0.05 0.02 0.01 -0.02 0.02 0.03 -0.03 0.01 0.01 -0.01 0.03 -0.00 0.01 0.06 0.02 -0.02 -0.04 -0.00 -0.03 0.00 0.01 0.00 -0.03 -0.03 -0.01 -0.01 -0.01 0.03 -0.00 0.03 0.01 0.01 -0.01 0.07 -0.01 0.05 0.09 0.11 -0.06 0.04 -0.12 0.01 0.12 0.12 -0.00 0.13 -0.15 -0.02 0.20 -0.04 0.00 -0.09 0.06 -0.11 -0.10 0.03 -0.12 -0.20 -0.00 -0.02 -0.04 -0.00 -0.01 -0.17 -0.03 0.10 -0.11 -0.01 0.11 -0.05 -0.01 -0.00 0.01 0.07 -0.01 0.04 0.11 -0.05 0.06 0.09 0.09 -0.03 0.02 0.02 0.01 -0.05 -0.04 -0.00 -0.04 -0.02 -0.06 -0.08 0.01 -0.04 0.01 0.00 0.04 0.06 0.06 0.07 0.15 -0.08 -0.02 -0.19 0.04 0.16 -0.22 -0.02 0.36 -0.07 0.02 -0.07 0.06 -0.16 -0.36 0.02 -0.03 0.08 -0.01 -0.01 -0.20 -0.04 0.15 -0.07 0.00 0.19 0.00 0.01 -0.02 0.00 -0.00 0.00 -0.04 -0.09 -0.03 -0.10 -0.00 -0.03 -0.02 -0.03 -0.07 -0.00 -0.00 0.01 0.00 -0.04 -0.06 -0.02 0.01 0.09 -0.01 -0.15 0.05 0.16 0.05 -0.05 0.01 0.16 0.08 -0.04 -0.01 0.07 -0.06 -0.10 -0.03 0.00 -0.01 0.02 -0.03 -0.00 -0.00 0.00 0.01 0.01 -0.01 0.01 0.00 0.04 0.03 -0.01 0.01 0.02 -0.02 0.04 0.03 -0.01 0.02 0.02 -0.00 0.04 0.05 0.02 0.02 -0.02 0.03 -0.00 -0.01 0.04 0.02 0.00 0.04 -0.03 0.01 0.01 0.01 -0.00 -0.00 -0.02 -0.01 -0.01 0.02 0.14 0.13 0.07 -0.29 0.11 0.31 0.06 -0.25 0.26 0.16 0.13 0.10 0.03 -0.01 -0.17 0.23 0.26 -0.05 0.16 0.13 0.24 0.34 0.05 -0.09 -0.00 0.05 -0.04 -0.00 0.00 0.03 0.05 -0.02 0.02 0.03 -0.04 0.03 0.00 -0.00 0.05 0.05 0.03 -0.02 -0.02 0.06 0.04 0.01 0.04 -0.05 0.02 0.02 0.02 0.00 -0.03 -0.03 -0.03 -0.03 -0.00 0.00 -0.02 -0.01 0.00 -0.00 0.02 0.17 -0.01 -0.04 0.01 0.03 0.07 0.10 0.23 -0.00 0.02 -0.09 0.00 -0.08 0.02 -0.03 -0.08 0.05 0.02 -0.10 0.01 0.09 0.05 -0.06 -0.07 0.08 0.06 -0.01 -0.04 0.04 0.01 0.02 -0.01 0.06 0.05 0.05 0.07 -0.05 -0.01 0.05 -0.04 -0.04 0.08 -0.14 0.00 -0.04 -0.10 0.02 0.03 -0.00 0.05 -0.09 -0.08 0.04 -0.05 0.02 0.01 -0.10 -0.07 -0.06 -0.06 0.07 -0.08 0.01 0.03 -0.11 -0.06 -0.01 -0.11 0.09 -0.03 -0.03 -0.02 0.00 0.02 0.07 0.03 0.04 -0.05 -0.08 0.04 0.06 -0.13 0.03 0.17 0.04 -0.16 0.04 0.23 0.01 0.18 0.06 -0.15 -0.13 0.14 0.10 -0.21 0.09 0.18 0.01 0.24 -0.04 -0.05 -0.05 0.02 -0.01 -0.04 0.06 -0.02 -0.17 0.06 0.05 0.04 0.13 -0.08 0.09 0.04 -0.17 -0.06 -0.10 0.07 0.09 -0.19 -0.14 -0.02 -0.12 0.15 -0.07 -0.04 -0.07 -0.01 0.10 0.09 0.08 0.10 -0.00 -0.01 0.00 -0.02 0.00 -0.00 0.07 0.03 0.03 0.06 0.01 0.02 -0.02 -0.04 -0.08 -0.01 -0.04 0.06 -0.01 -0.07 0.11 -0.03 -0.16 -0.07 0.03 -0.00 -0.05 0.04 0.13 -0.07 -0.12 0.01 0.06 0.03 -0.08 -0.06 0.07 0.00 0.01 0.12 0.14 0.06 0.03 0.09 -0.01 -0.06 0.04 0.02 0.02 0.17 -0.03 -0.05 0.02 -0.01 -0.04 -0.05 -0.02 0.00 -0.01 -0.02 0.02 -0.08 -0.01 0.03 -0.06 0.03 0.02 -0.02 0.03 -0.00 -0.01 0.04 0.02 -0.00 0.04 -0.03 0.01 0.01 0.01 -0.00 -0.01 -0.02 -0.01 -0.01 -0.09 -0.32 -0.14 -0.02 0.16 -0.11 0.08 0.17 -0.15 -0.08 0.37 -0.01 0.20 0.09 -0.27 -0.10 0.06 -0.01 -0.27 -0.00 0.17 -0.14 0.10 -0.04 -0.00 -0.15 -0.08 0.09 0.08 -0.06 -0.05 0.04 -0.02 -0.10 -0.12 -0.06 0.02 -0.11 -0.02 0.06 -0.07 0.05 -0.02 -0.04 0.06 0.05 -0.00 0.04 -0.05 0.01 0.01 0.03 0.00 -0.03 -0.03 -0.02 -0.03 -0.01 -0.02 0.00 -0.01 -0.01 -0.00 -0.10 -0.14 0.04 0.13 -0.01 -0.06 -0.01 0.02 -0.01 0.04 0.09 -0.04 0.06 0.01 0.02 -0.02 -0.07 -0.06 -0.04 0.09 0.04 -0.01 -0.00 -0.04 0.02 0.04 -0.03 -0.07 -0.15 -0.10 -0.02 0.01 0.05 0.19 0.30 0.11 -0.09 -0.14 0.03 0.04 -0.05 -0.04 -0.14 -0.27 0.07 0.09 0.04 0.04 0.02 0.08 0.00 0.05 0.07 0.00 -0.01 0.11 0.04 0.03 0.15 -0.03 0.01 0.00 0.01 -0.00 0.03 0.02 -0.00 -0.04 -0.01 -0.01 -0.04 -0.01 -0.00 0.03 0.01 -0.01 0.00 0.00 0.01 -0.06 -0.04 -0.11 0.12 0.01 -0.12 0.07 0.02 -0.07 -0.02 -0.10 0.00 -0.07 -0.13 0.03 0.08 -0.07 -0.05 0.02 -0.00 0.01 0.06 -0.05 -0.23 -0.42 -0.20 -0.11 -0.10 0.07 0.08 0.07 0.09 0.09 0.15 0.02 -0.00 0.09 0.09 0.02 0.15 -0.07 -0.00 0.07 0.04 0.00 -0.08 -0.02 -0.01 -0.08 -0.03 0.00 0.07 0.02 -0.01 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.01 -0.01 0.00 0.01 -0.00 -0.01 0.01 0.01 0.03 0.01 0.00 0.00 0.01 -0.00 0.00 -0.00 -0.01 -0.01 -0.00 0.01 0.00 0.00 0.00 -0.01 0.00 0.00 -0.00 -0.00 -0.01 -0.01 -0.00 0.00 0.00 0.02 0.03 0.01 -0.01 -0.02 0.01 0.01 -0.01 0.02 -0.02 -0.02 0.00 0.01 -0.01 -0.01 0.01 0.01 0.01 -0.00 -0.00 0.01 -0.01 0.02 -0.02 -0.01 0.01 0.01 -0.01 0.00 -0.02 -0.01 -0.19 -0.10 -0.00 0.20 0.06 0.02 0.19 0.07 -0.01 -0.20 -0.07 0.01 -0.00 0.01 0.00 -0.01 -0.01 -0.01 0.01 -0.00 -0.01 0.01 -0.00 -0.01 0.00 -0.01 0.00 -0.00 -0.02 0.00 0.01 -0.00 -0.01 0.00 0.00 0.00 0.01 -0.00 -0.01 -0.03 -0.02 -0.01 -0.03 -0.00 0.01 -0.02 -0.03 0.02 0.03 0.01 -0.01 0.03 -0.05 -0.02 0.01 0.01 -0.01 -0.40 -0.18 -0.01 0.43 0.14 0.04 0.43 0.16 -0.02 -0.42 -0.15 0.01 0.00 0.02 -0.00 -0.00 -0.02 0.01 -0.01 -0.00 0.01 -0.04 0.01 0.01 -0.02 -0.01 0.02 -0.02 0.09 0.01 -0.06 0.08 0.02 0.04 -0.06 -0.07 0.05 0.06 -0.02 0.03 0.02 -0.02 -0.08 0.02 0.06 0.03 -0.06 -0.15 -0.07 0.04 -0.01 0.02 -0.00 0.06 0.16 0.08 0.01 0.04 0.01 0.04 0.00 0.11 -0.05 0.22 -0.06 0.00 -0.06 -0.15 0.04 0.00 0.05 -0.03 -0.07 0.05 0.01 0.01 -0.15 -0.04 -0.05 0.10 -0.03 -0.01 -0.04 0.00 0.04 -0.03 -0.02 0.00 -0.04 0.03 -0.01 -0.01 -0.00 0.03 0.01 0.03 -0.02 -0.00 -0.06 0.20 0.10 0.03 -0.10 0.07 -0.05 -0.09 0.08 0.04 -0.21 -0.02 -0.10 -0.06 0.13 0.05 0.03 -0.04 0.09 0.03 -0.07 0.07 0.02 -0.04 -0.31 -0.24 -0.05 0.06 -0.07 -0.10 0.03 -0.10 -0.35 0.05 0.01 0.05 0.01 0.06 -0.37 -0.10 -0.05 0.19 0.03 0.12 -0.05 -0.04 0.01 -0.04 0.05 -0.01 -0.01 -0.03 0.06 0.06 0.04 -0.03 0.01 -0.00 0.00 -0.03 0.01 -0.01 -0.00 0.06 0.08 -0.02 -0.05 -0.02 0.07 -0.02 0.01 -0.09 -0.04 -0.01 -0.08 0.05 0.03 -0.04 -0.08 0.05 0.11 0.02 0.03 0.02 -0.04 -0.10 0.02 0.05 0.03 -0.07 -0.16 -0.07 0.09 0.02 0.06 -0.01 0.05 0.13 0.10 0.07 0.04 -0.03 -0.06 0.03 -0.08 0.19 -0.03 -0.01 -0.06 0.04 0.12 -0.06 -0.05 -0.05 0.00 0.03 -0.05 -0.00 -0.08 0.12 0.03 -0.04 -0.08 0.03 0.00 0.03 -0.00 -0.05 0.02 0.02 -0.00 0.05 -0.03 0.01 0.01 0.00 -0.03 -0.01 -0.03 0.01 0.00 -0.09 0.21 0.13 0.09 -0.12 0.09 -0.10 -0.12 0.12 -0.00 -0.24 -0.05 -0.10 -0.08 0.11 0.08 0.02 -0.11 0.03 0.03 -0.06 0.01 0.02 -0.09 -0.32 -0.22 0.01 0.05 0.14 0.05 -0.08 0.07 0.27 -0.11 -0.11 -0.07 -0.00 -0.12 0.30 0.09 -0.05 -0.13 -0.03 -0.12 0.04 0.04 -0.00 0.05 -0.05 0.01 0.01 0.03 -0.06 -0.06 -0.04 0.02 -0.01 -0.00 -0.01 0.01 0.02 -0.01 0.00 0.03 -0.03 0.06 0.13 0.03 -0.05 0.03 0.03 0.07 0.02 0.02 0.11 -0.13 0.02 -0.11 -0.08 0.03 -0.05 -0.01 -0.06 -0.04 0.02 0.02 0.02 -0.00 -0.01 0.03 -0.08 0.04 -0.04 0.04 -0.05 0.03 -0.05 0.05 -0.04 -0.00 0.05 0.02 0.06 0.01 -0.09 -0.15 0.11 0.02 -0.01 -0.05 0.07 0.07 -0.01 -0.12 -0.03 -0.05 -0.13 0.01 0.00 0.18 -0.03 -0.06 -0.11 -0.01 -0.00 -0.02 -0.01 0.00 -0.02 -0.01 0.01 -0.01 0.00 0.01 0.00 -0.01 -0.00 0.01 0.00 -0.01 0.01 -0.08 0.05 -0.05 -0.03 -0.11 -0.04 0.18 -0.09 -0.08 0.13 0.01 0.13 -0.04 0.11 0.20 -0.10 -0.07 0.19 0.15 0.03 -0.05 0.10 -0.02 0.11 -0.11 0.01 -0.05 0.07 0.03 -0.06 0.00 -0.13 0.34 0.08 -0.00 -0.14 -0.03 0.06 0.52 -0.08 -0.05 -0.05 0.00 0.03 -0.02 -0.03 0.04 -0.00 0.02 0.02 0.01 -0.01 0.01 0.02 0.00 -0.00 0.01 0.00 -0.00 0.01 0.02 -0.01 0.00 0.05 0.09 0.07 0.15 0.04 0.01 -0.03 0.05 -0.11 0.02 0.01 -0.06 -0.14 -0.00 -0.12 -0.11 0.01 -0.04 0.00 -0.06 -0.07 0.02 -0.01 0.01 -0.03 -0.01 0.03 -0.09 0.06 0.00 0.07 0.01 0.06 -0.06 0.03 -0.03 0.04 -0.04 0.01 -0.02 -0.02 0.07 -0.02 -0.13 -0.01 -0.00 0.02 -0.03 -0.03 -0.02 0.08 -0.01 0.03 0.07 -0.01 -0.03 -0.12 -0.00 0.00 0.08 0.04 0.15 0.08 0.01 -0.02 0.02 0.02 -0.03 0.04 -0.03 -0.06 -0.03 -0.00 -0.07 -0.03 -0.03 0.10 0.04 -0.15 0.01 -0.06 -0.03 -0.13 -0.06 0.21 -0.14 -0.10 0.12 0.01 0.12 -0.02 0.11 0.19 -0.12 -0.06 0.19 0.10 0.03 -0.01 0.08 0.00 0.09 -0.09 0.09 0.01 0.05 -0.04 0.00 -0.00 0.05 -0.19 -0.03 -0.02 0.08 0.00 -0.04 -0.34 0.04 -0.00 0.04 -0.03 -0.23 0.00 0.03 -0.21 -0.03 -0.05 -0.24 -0.10 0.02 -0.23 -0.13 -0.03 0.15 0.05 0.00 0.00 -0.01 -0.01 0.01 -0.00 -0.02 -0.04 -0.03 -0.08 -0.02 -0.02 0.02 0.11 -0.06 0.01 -0.01 0.05 0.09 -0.01 0.07 0.05 -0.01 0.03 -0.01 0.05 0.03 -0.01 -0.01 -0.01 0.02 0.01 -0.02 0.05 -0.03 0.03 -0.05 0.00 -0.04 0.03 -0.03 0.03 -0.00 -0.03 0.02 0.09 -0.03 0.05 -0.06 0.09 -0.02 0.03 -0.06 -0.00 0.10 -0.02 -0.06 -0.05 -0.02 -0.11 -0.00 0.01 0.04 -0.06 -0.05 0.00 0.05 0.23 0.10 -0.00 -0.02 0.01 0.01 -0.03 0.04 -0.04 -0.09 -0.05 -0.01 -0.11 -0.03 -0.04 0.15 0.07 0.05 -0.02 0.03 0.02 0.09 0.02 -0.12 0.07 0.05 -0.07 -0.02 -0.08 0.02 -0.08 -0.12 0.07 0.05 -0.12 -0.08 -0.02 0.02 -0.05 0.02 -0.07 0.07 -0.01 0.04 -0.02 -0.13 -0.03 0.06 -0.15 0.07 0.14 0.02 -0.13 -0.03 0.10 0.13 -0.09 -0.05 0.10 -0.05 -0.29 -0.03 -0.01 -0.28 -0.05 -0.05 -0.34 -0.15 0.00 -0.34 -0.16 -0.04 0.22 0.09 0.01 0.02 -0.04 0.00 -0.00 -0.00 0.04 -0.04 0.04 0.05 -0.02 0.00 0.00 -0.01 0.01 0.03 0.03 0.05 0.08 -0.06 0.02 -0.15 -0.11 0.00 0.01 0.12 -0.14 0.04 -0.08 -0.05 -0.01 0.03 -0.04 -0.02 0.06 0.27 0.03 0.08 -0.01 -0.06 -0.12 0.13 -0.00 -0.02 0.02 -0.01 -0.01 -0.01 -0.16 -0.04 0.03 0.00 0.01 0.01 -0.02 0.01 -0.01 0.01 0.01 -0.00 -0.01 0.01 0.01 0.01 0.02 -0.01 -0.01 -0.04 -0.02 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.01 0.01 0.00 0.02 0.01 0.00 -0.02 -0.01 -0.39 -0.15 -0.13 -0.03 0.17 -0.16 -0.01 -0.04 -0.03 0.02 -0.08 -0.07 0.04 -0.12 -0.10 0.02 0.11 -0.14 -0.21 0.00 0.08 -0.04 0.14 -0.16 0.17 0.34 0.40 0.06 -0.02 -0.03 -0.00 0.03 0.01 -0.01 0.01 -0.00 -0.00 -0.01 0.03 0.02 0.02 -0.00 0.00 0.05 0.01 0.00 0.04 0.01 0.00 0.06 0.02 0.00 0.06 0.02 0.00 -0.03 -0.01 0.00 0.01 -0.03 -0.01 0.01 -0.00 0.07 -0.01 -0.02 -0.08 0.01 -0.01 -0.04 -0.11 -0.01 0.02 0.07 0.08 -0.06 0.08 -0.01 0.09 0.05 -0.03 0.07 -0.05 -0.05 -0.06 0.10 0.08 0.01 -0.01 -0.01 0.04 -0.14 0.08 0.03 -0.10 -0.08 0.05 -0.06 0.14 0.01 0.11 -0.04 -0.00 0.07 -0.21 -0.18 -0.06 0.08 -0.03 0.01 0.01 0.00 0.00 0.08 -0.00 -0.03 0.22 0.05 -0.02 -0.01 0.02 -0.04 -0.05 -0.03 0.08 0.03 0.01 0.01 0.00 -0.02 0.03 -0.03 0.03 -0.04 -0.01 -0.00 -0.03 -0.03 0.04 0.06 0.01 0.04 0.07 -0.05 0.12 0.04 -0.06 -0.03 0.06 0.07 -0.03 0.07 0.09 -0.08 0.14 0.15 0.04 -0.09 0.00 0.16 0.01 -0.10 -0.03 -0.13 0.07 0.02 -0.36 0.05 0.08 0.24 -0.01 -0.03 0.01 -0.06 -0.06 -0.05 0.26 0.05 -0.01 -0.07 0.02 -0.03 -0.32 0.03 -0.09 -0.07 0.00 -0.10 -0.07 0.01 -0.16 -0.06 -0.03 -0.18 -0.05 0.04 0.04 0.01 0.01 0.01 -0.04 -0.01 0.01 -0.00 0.01 0.07 -0.00 -0.01 0.03 0.00 0.02 0.12 -0.01 0.02 -0.02 -0.04 -0.12 0.08 -0.07 0.10 0.04 -0.07 0.04 -0.05 -0.04 -0.06 0.10 0.07 -0.01 -0.02 0.00 0.07 -0.16 0.12 0.02 -0.05 -0.02 0.05 -0.09 0.19 0.02 -0.08 0.04 -0.00 -0.05 0.19 -0.03 -0.04 -0.03 0.01 0.01 0.00 -0.01 -0.02 -0.04 -0.02 0.05 -0.18 -0.05 -0.01 -0.02 -0.02 0.02 0.06 0.03 -0.08 -0.03 0.00 -0.02 0.01 0.02 -0.04 0.03 -0.02 0.04 0.01 0.00 0.04 0.03 -0.03 -0.06 -0.02 0.04 0.08 -0.09 0.02 0.04 -0.08 0.04 0.01 0.04 -0.01 0.08 0.11 -0.08 0.18 0.20 -0.02 -0.13 0.11 0.22 0.03 -0.11 0.00 -0.13 0.11 0.09 -0.40 0.10 -0.02 -0.20 -0.00 0.02 -0.00 0.04 0.03 0.02 -0.20 -0.05 -0.01 -0.01 0.00 0.01 0.28 -0.02 0.08 0.08 0.02 0.09 0.08 -0.02 0.18 0.06 0.03 0.19 0.05 -0.03 -0.05 -0.02 0.00 0.00 -0.01 -0.00 0.00 -0.00 -0.04 0.01 0.01 0.03 0.00 0.01 0.30 -0.12 -0.03 -0.01 -0.01 -0.01 -0.03 0.01 -0.03 0.01 -0.01 -0.03 -0.02 0.01 0.00 -0.00 0.01 -0.00 -0.01 -0.00 0.00 0.02 -0.03 0.03 -0.01 0.01 0.03 0.01 -0.03 0.05 -0.02 -0.00 -0.01 -0.11 0.01 -0.01 0.05 0.02 -0.01 -0.17 -0.11 -0.00 -0.15 0.20 -0.00 0.14 -0.21 0.00 0.10 0.17 0.01 0.06 0.04 -0.00 0.18 0.08 -0.13 -0.14 0.07 -0.13 0.06 -0.01 0.05 -0.12 -0.00 -0.04 0.05 -0.08 0.15 -0.21 -0.03 0.15 0.00 0.01 -0.03 -0.06 0.02 -0.02 0.02 -0.01 -0.01 0.01 0.01 0.01 -0.01 0.03 0.03 -0.03 -0.03 0.05 0.04 0.02 -0.01 0.02 -0.01 0.03 0.05 -0.05 0.05 -0.03 0.02 0.01 -0.21 0.03 -0.01 -0.18 0.17 -0.01 0.14 0.05 0.01 -0.24 0.09 -0.02 -0.22 -0.05 -0.04 -0.23 -0.06 0.00 0.11 -0.09 -0.06 0.12 -0.10 0.02 -0.23 -0.02 0.10 0.01 0.01 -0.03 -0.01 0.01 -0.00 -0.18 -0.07 0.04 0.14 0.01 0.04 -0.06 -0.09 0.05 -0.07 -0.06 -0.04 -0.11 0.01 -0.12 0.02 -0.05 -0.11 -0.11 0.08 0.03 0.01 -0.00 -0.03 -0.02 0.00 0.02 0.08 -0.07 0.12 -0.05 0.04 0.18 0.02 -0.09 0.16 -0.13 -0.01 -0.04 0.03 -0.03 -0.07 0.33 0.15 -0.03 0.08 -0.00 -0.03 0.05 -0.01 -0.02 0.01 0.00 0.06 -0.01 0.01 0.04 0.01 0.04 -0.05 -0.07 0.06 0.04 0.01 0.02 0.02 -0.03 0.05 -0.05 0.04 -0.05 0.01 -0.01 -0.02 -0.05 0.07 0.06 -0.00 -0.01 0.00 -0.11 -0.32 0.13 -0.05 0.09 -0.06 -0.07 0.05 0.00 0.02 -0.02 0.06 0.06 -0.12 -0.08 0.20 0.14 0.06 -0.03 0.09 0.01 0.08 0.24 -0.08 0.19 -0.21 0.03 0.04 0.08 -0.01 -0.01 0.07 0.02 0.03 -0.01 0.02 0.10 0.02 0.04 -0.13 0.05 -0.04 -0.08 0.01 -0.06 -0.08 -0.00 -0.17 -0.04 -0.05 -0.18 -0.04 0.08 0.04 -0.01 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.03 0.04 -0.01 -0.02 0.00 0.01 -0.06 -0.08 0.01 0.01 -0.01 0.01 0.01 0.01 0.02 -0.01 0.01 0.01 0.04 -0.03 -0.03 -0.01 0.01 0.02 0.01 0.00 -0.01 -0.02 0.01 -0.01 0.03 -0.01 -0.03 -0.01 0.01 -0.02 0.02 -0.06 0.03 -0.03 -0.05 0.08 -0.03 0.01 -0.01 0.06 0.04 -0.03 -0.06 -0.03 -0.05 0.04 0.05 -0.07 -0.06 -0.02 0.03 0.04 0.09 -0.02 -0.11 0.06 -0.06 -0.24 0.06 -0.01 0.08 0.14 -0.25 -0.08 -0.15 0.27 0.27 -0.06 0.02 0.11 0.03 0.09 -0.03 -0.02 -0.01 0.08 -0.03 -0.01 -0.02 0.02 0.02 -0.01 0.01 0.01 -0.01 0.01 0.02 0.03 0.01 -0.05 -0.01 -0.01 -0.01 -0.02 -0.01 -0.01 -0.04 -0.00 -0.02 0.01 -0.12 -0.00 0.03 0.12 0.00 -0.03 0.00 -0.12 -0.04 -0.11 0.09 0.11 0.07 0.08 -0.13 0.04 -0.20 -0.01 0.05 -0.29 -0.00 -0.29 0.22 0.16 -0.26 0.12 -0.05 0.10 -0.21 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.03 -0.07 0.01 0.03 -0.01 -0.02 -0.00 0.18 -0.14 -0.00 0.01 -0.02 -0.03 -0.02 -0.03 0.02 0.00 0.00 -0.07 0.07 0.04 0.02 -0.03 -0.04 -0.03 -0.01 0.02 0.03 -0.01 0.01 -0.05 0.04 0.04 0.01 -0.02 0.02 -0.02 0.12 -0.06 0.09 0.11 -0.11 0.02 -0.06 0.02 -0.04 0.00 0.06 0.17 -0.03 0.10 -0.14 0.02 0.06 0.05 -0.02 -0.06 -0.10 -0.17 0.05 0.05 -0.02 -0.07 -0.13 -0.05 -0.04 0.11 -0.05 -0.06 -0.09 0.01 0.13 0.19 0.02 0.09 -0.04 -0.10 0.03 0.07 0.05 0.03 -0.13 0.06 0.03 0.04 -0.04 -0.05 0.02 -0.02 -0.03 0.03 -0.03 -0.04 -0.07 -0.03 0.10 0.01 0.01 0.03 0.03 0.01 0.03 0.06 -0.01 0.03 -0.00 0.23 -0.00 0.03 -0.20 0.01 0.13 -0.07 0.19 -0.01 0.19 -0.20 -0.10 -0.16 -0.08 -0.15 0.07 0.05 0.03 0.09 -0.02 -0.00 0.20 0.21 0.22 0.23 0.13 -0.14 0.02 -0.12 -0.00 -0.00 -0.00 -0.01 0.01 0.00 0.11 -0.01 0.02 0.00 -0.06 -0.07 -0.02 -0.04 0.02 0.02 0.00 0.00 -0.10 -0.09 -0.09 0.15 0.12 0.11 -0.10 0.17 0.04 0.07 -0.12 -0.11 -0.15 -0.09 0.11 0.06 -0.05 -0.01 -0.08 0.20 -0.05 0.07 -0.03 0.01 0.11 -0.02 0.04 -0.03 0.00 0.02 -0.09 -0.01 -0.02 -0.03 0.01 -0.01 -0.05 0.01 -0.02 0.02 0.00 -0.01 0.02 -0.01 0.02 0.04 0.01 -0.01 -0.03 0.00 0.01 0.01 0.01 0.02 -0.02 0.02 -0.01 0.01 -0.01 0.00 -0.02 -0.00 -0.02 0.03 0.02 -0.01 0.27 0.26 0.20 -0.08 0.08 0.07 0.20 -0.19 -0.20 0.08 -0.02 -0.04 0.11 -0.07 -0.09 -0.25 -0.17 0.30 -0.06 -0.03 0.13 -0.03 -0.03 0.13 -0.04 -0.19 -0.07 0.19 -0.03 -0.03 -0.05 0.06 -0.01 -0.08 -0.02 -0.04 0.04 -0.07 0.05 0.05 0.01 0.01 0.03 -0.01 -0.02 0.00 -0.01 -0.02 -0.01 -0.05 -0.01 -0.04 -0.05 -0.01 0.03 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.04 -0.03 0.01 0.02 0.01 -0.01 -0.06 -0.06 0.05 0.02 0.00 -0.09 0.01 0.01 0.01 -0.02 -0.03 -0.03 -0.03 -0.01 0.03 -0.01 0.01 0.01 0.03 0.02 -0.02 0.01 0.00 0.01 -0.02 -0.04 0.03 -0.01 -0.00 0.01 -0.02 0.12 -0.03 -0.04 0.18 0.15 -0.00 -0.18 -0.00 -0.19 0.01 0.04 0.05 0.11 0.03 -0.02 -0.06 -0.24 0.32 0.06 -0.04 0.09 -0.15 0.06 -0.11 -0.02 0.05 0.02 0.01 0.07 -0.06 0.07 -0.05 0.04 -0.06 0.05 -0.05 -0.01 -0.08 0.10 0.06 -0.03 -0.02 -0.03 -0.02 -0.07 0.02 0.01 -0.04 0.03 0.03 -0.01 -0.01 -0.01 -0.02 -0.01 -0.00 0.03 0.03 -0.03 0.03 0.02 -0.02 0.03 0.02 -0.02 0.06 0.05 0.04 -0.03 0.17 0.01 -0.18 -0.04 0.17 -0.11 -0.08 -0.08 0.31 0.10 -0.00 -0.07 -0.13 0.43 0.08 0.01 -0.04 0.03 0.02 -0.06 -0.07 -0.14 0.02 -0.13 -0.13 -0.01 0.11 0.03 -0.03 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.01 0.01 0.00 -0.00 -0.02 -0.01 0.01 -0.00 0.01 -0.01 -0.01 0.00 0.01 -0.00 -0.01 -0.02 -0.00 -0.01 -0.01 0.02 -0.01 0.01 0.01 0.02 0.01 -0.01 0.01 -0.00 0.00 -0.02 0.00 0.00 0.01 -0.01 -0.00 0.02 -0.02 0.02 -0.01 0.01 0.07 -0.01 -0.01 -0.01 -0.03 -0.00 -0.06 0.00 0.02 -0.05 -0.00 -0.01 0.07 0.05 0.01 0.08 0.02 -0.02 -0.05 -0.01 0.11 0.05 -0.01 -0.09 -0.02 -0.02 -0.07 -0.05 0.01 0.12 0.07 -0.00 0.13 0.04 0.02 -0.09 -0.04 0.00 -0.02 0.00 -0.02 -0.02 0.02 -0.02 0.01 0.02 -0.01 0.00 0.00 -0.01 0.01 0.01 0.02 0.01 -0.01 0.02 0.01 -0.02 0.02 0.01 -0.01 0.02 0.03 0.01 0.02 -0.05 0.00 -0.03 0.01 -0.23 -0.01 -0.01 -0.28 0.06 0.01 -0.03 0.01 -0.01 -0.29 -0.01 -0.42 -0.15 -0.02 -0.43 -0.18 -0.02 -0.04 0.01 -0.03 -0.04 0.00 0.01 -0.45 -0.19 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.01 -0.00 -0.01 -0.00 0.00 0.02 0.01 -0.03 0.02 -0.01 0.01 0.02 0.00 -0.01 0.00 0.01 0.03 0.01 0.02 0.01 -0.02 0.01 -0.01 -0.01 -0.02 -0.01 0.02 -0.01 0.00 0.00 0.02 -0.00 -0.00 -0.01 0.01 0.00 -0.02 0.00 -0.02 0.01 -0.03 -0.11 0.01 0.02 0.01 0.03 -0.01 0.08 -0.02 -0.01 0.07 0.03 -0.00 -0.11 -0.03 -0.00 -0.12 0.00 0.04 0.06 -0.00 0.06 0.02 -0.00 -0.03 -0.02 -0.01 -0.03 -0.02 0.01 0.07 0.03 -0.01 0.07 0.02 0.01 -0.04 -0.01 -0.01 0.02 -0.01 0.03 0.02 -0.02 0.02 -0.01 -0.02 0.01 -0.00 -0.00 0.01 -0.01 -0.01 -0.02 -0.01 0.01 -0.03 -0.02 0.02 -0.02 -0.01 0.01 -0.03 -0.04 -0.02 -0.02 0.03 -0.00 0.01 0.01 0.37 -0.02 0.02 0.45 -0.04 -0.03 0.11 -0.00 0.02 0.47 -0.01 -0.28 -0.12 -0.02 -0.28 -0.12 0.00 -0.10 -0.04 -0.02 -0.10 -0.03 0.00 -0.32 -0.12 0.00 -0.00 -0.01 0.02 -0.01 -0.00 -0.08 -0.03 -0.08 -0.01 0.04 0.12 0.01 -0.00 0.01 -0.02 0.02 0.02 0.04 -0.04 0.06 0.10 0.20 -0.01 0.12 0.04 -0.16 0.07 -0.08 -0.06 -0.12 -0.10 0.11 -0.08 0.03 -0.01 0.14 -0.08 0.00 -0.17 0.08 0.08 -0.14 0.03 -0.07 0.01 0.02 0.09 0.03 -0.04 0.05 0.00 -0.00 -0.03 0.04 0.01 -0.02 -0.01 -0.01 0.00 0.03 0.02 0.05 -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 0.01 0.00 -0.00 0.01 0.00 -0.00 -0.00 -0.00 -0.04 0.12 -0.09 0.16 0.17 -0.18 0.08 -0.05 -0.11 0.05 -0.02 -0.04 0.11 -0.12 -0.15 -0.09 -0.06 0.05 -0.22 -0.13 0.15 -0.17 -0.08 0.07 -0.19 -0.30 -0.09 -0.24 0.01 0.00 0.02 -0.03 -0.18 0.06 0.01 -0.30 0.02 0.07 -0.09 -0.04 -0.01 -0.17 -0.00 -0.02 -0.01 -0.00 -0.03 -0.01 0.00 -0.01 -0.00 -0.00 -0.01 -0.00 0.00 -0.02 -0.00 -0.01 -0.00 0.02 -0.03 0.01 0.01 -0.05 -0.09 -0.13 -0.02 -0.03 0.16 0.01 -0.01 0.02 -0.02 0.03 0.04 -0.12 0.01 -0.12 -0.05 -0.11 0.15 0.19 0.09 -0.09 -0.04 0.03 0.00 -0.00 0.01 -0.03 0.02 -0.04 0.04 0.12 0.14 -0.03 0.34 -0.11 -0.25 -0.13 0.03 -0.09 0.01 0.01 0.06 0.00 -0.04 0.06 0.02 0.00 0.00 0.04 -0.00 0.01 -0.01 -0.01 -0.04 0.00 0.01 0.02 -0.02 -0.01 0.00 0.00 -0.01 -0.01 0.00 0.01 -0.00 0.00 0.01 0.01 0.00 0.01 -0.01 -0.00 0.00 0.00 -0.01 0.01 0.01 -0.22 -0.17 0.05 0.26 -0.10 -0.01 0.17 -0.15 -0.08 0.08 0.02 0.11 -0.08 0.20 0.24 -0.02 -0.05 0.02 0.07 0.04 -0.05 0.00 -0.00 -0.02 -0.24 0.16 -0.06 -0.20 0.04 -0.02 0.03 -0.02 -0.09 0.06 0.00 -0.20 -0.01 0.05 -0.09 -0.04 -0.00 -0.04 -0.00 -0.02 -0.01 -0.00 -0.02 -0.00 0.01 -0.07 -0.04 -0.00 -0.06 -0.02 -0.01 -0.07 -0.02 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.03 -0.01 0.02 0.00 -0.00 -0.03 0.01 -0.08 0.07 0.01 0.01 -0.03 0.01 0.00 0.00 -0.01 -0.01 -0.01 -0.05 0.00 0.03 0.00 -0.00 -0.00 0.01 0.01 -0.01 0.01 -0.00 -0.00 -0.03 -0.02 0.01 -0.02 0.00 0.02 0.00 0.14 -0.04 0.02 0.07 0.08 -0.01 -0.08 0.01 0.06 0.06 -0.00 0.04 -0.06 0.01 -0.02 0.03 -0.04 -0.12 -0.05 0.02 -0.06 -0.00 -0.00 0.04 -0.10 -0.06 0.00 0.08 -0.04 0.04 0.04 0.06 0.01 0.05 -0.07 0.04 -0.00 0.05 -0.05 0.06 0.06 0.04 0.02 0.01 -0.06 0.02 0.03 -0.02 0.02 0.01 -0.01 -0.01 -0.02 0.00 -0.02 -0.02 0.00 0.00 0.01 0.02 0.01 -0.01 0.02 0.01 -0.00 0.05 0.02 0.02 0.05 0.21 -0.02 0.08 0.02 -0.07 0.06 -0.05 -0.25 -0.14 0.02 -0.11 0.02 -0.02 -0.02 -0.03 -0.16 -0.09 -0.02 -0.18 -0.03 0.09 -0.38 -0.24 0.08 -0.38 -0.17 -0.06 -0.45 -0.12 0.01 0.00 -0.01 0.01 -0.01 -0.01 0.02 -0.10 -0.09 -0.00 -0.09 0.06 0.01 -0.06 0.03 -0.01 0.02 0.03 -0.03 -0.01 -0.04 0.01 -0.11 -0.02 0.08 -0.10 0.08 -0.05 0.07 0.05 0.01 0.01 -0.01 0.04 0.01 -0.10 -0.01 0.35 -0.03 -0.23 0.08 0.16 -0.02 0.06 -0.07 0.00 0.02 0.03 -0.02 -0.04 0.04 0.03 0.01 0.02 0.00 -0.02 0.02 0.01 -0.01 -0.06 -0.04 -0.01 0.00 -0.01 0.02 0.00 0.01 0.10 0.04 -0.00 -0.03 -0.03 -0.00 -0.02 -0.01 0.00 -0.00 -0.01 -0.00 -0.00 0.00 -0.01 -0.06 -0.02 0.19 -0.13 0.06 0.10 -0.41 0.17 0.04 -0.00 -0.00 -0.03 0.11 0.10 -0.04 0.14 0.12 0.02 0.00 -0.02 0.04 0.01 -0.03 0.00 0.00 -0.01 0.28 0.04 0.02 -0.01 0.10 -0.05 0.03 0.02 -0.04 0.02 -0.01 -0.17 -0.04 -0.01 -0.07 -0.00 0.01 0.05 0.00 0.03 -0.01 -0.01 -0.03 -0.02 0.03 0.24 0.08 0.01 0.19 0.08 0.01 0.27 0.12 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.01 0.01 0.03 0.00 0.02 -0.02 -0.01 -0.11 0.04 0.01 -0.00 -0.03 0.00 0.00 0.01 -0.01 0.02 0.01 -0.04 0.04 -0.00 0.01 -0.02 -0.01 0.00 0.00 -0.00 -0.01 -0.01 0.02 -0.00 -0.10 0.01 0.06 -0.02 -0.04 -0.01 0.11 -0.02 0.00 0.05 0.10 0.00 -0.06 0.00 0.04 0.04 -0.02 0.01 -0.03 -0.04 0.01 -0.00 0.00 -0.07 -0.03 -0.02 -0.02 0.02 -0.05 0.02 0.17 0.06 -0.01 -0.04 -0.06 0.01 -0.05 -0.01 0.00 -0.00 -0.05 0.02 -0.02 0.02 -0.03 -0.09 -0.02 -0.03 0.04 -0.00 -0.04 0.12 -0.03 -0.01 0.00 0.00 0.01 -0.03 -0.03 0.01 -0.04 -0.03 -0.01 -0.00 0.01 0.01 0.01 0.00 0.01 0.00 0.00 -0.04 0.03 0.01 0.02 0.15 -0.01 0.05 0.04 -0.04 0.01 -0.03 0.09 -0.09 -0.02 0.27 0.01 -0.00 0.29 -0.01 0.08 -0.02 -0.01 -0.03 -0.01 0.08 0.44 0.12 0.05 0.35 0.13 -0.01 0.47 0.21 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.02 -0.01 -0.01 0.00 -0.01 0.02 -0.04 0.02 -0.01 0.00 -0.01 -0.01 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.03 -0.02 -0.01 -0.01 0.01 0.01 -0.00 -0.00 0.00 0.00 0.00 -0.01 0.01 0.05 -0.01 -0.02 0.01 0.01 -0.01 -0.03 0.03 -0.01 0.02 0.07 -0.00 -0.01 -0.01 -0.03 0.02 -0.02 0.03 0.01 -0.10 -0.03 0.02 0.12 0.05 0.01 -0.05 -0.00 -0.03 -0.09 0.01 -0.05 -0.02 0.00 0.02 -0.01 0.02 0.00 0.02 0.00 0.02 -0.03 0.03 -0.00 0.02 -0.02 0.02 0.02 -0.00 -0.02 -0.01 0.04 -0.07 0.00 0.01 -0.00 -0.00 -0.00 0.02 0.02 -0.01 0.03 0.02 0.01 0.00 -0.01 -0.01 -0.01 0.00 -0.01 -0.00 -0.00 0.00 -0.02 -0.01 -0.04 -0.08 0.02 -0.02 0.01 -0.19 -0.03 -0.01 0.53 -0.00 0.04 0.63 -0.02 -0.04 0.37 -0.01 0.00 -0.00 0.01 -0.00 0.02 0.03 -0.10 -0.07 0.05 -0.10 -0.06 -0.02 -0.14 -0.05 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.02 0.03 -0.11 -0.03 0.05 0.05 0.07 0.03 -0.04 -0.00 0.02 0.03 -0.09 0.04 -0.06 -0.01 -0.14 0.03 0.02 0.17 0.18 0.03 -0.05 -0.06 -0.01 0.02 -0.03 -0.01 -0.04 -0.07 0.07 -0.17 0.00 -0.08 0.05 0.06 0.04 0.04 -0.05 0.00 -0.01 0.04 -0.04 -0.02 0.03 0.01 -0.02 0.01 -0.02 -0.00 -0.03 0.03 -0.02 0.03 -0.05 -0.01 -0.02 -0.00 0.01 -0.02 0.00 -0.02 -0.01 0.01 0.02 0.06 -0.03 -0.02 -0.03 -0.01 0.00 0.08 -0.06 -0.01 -0.04 0.03 0.01 -0.01 0.10 -0.10 0.09 0.10 0.27 0.18 0.04 -0.08 -0.05 0.05 -0.09 -0.08 -0.00 -0.02 -0.00 -0.07 -0.09 0.12 0.17 0.09 -0.08 0.05 -0.02 0.05 0.29 0.37 0.12 0.01 0.02 -0.04 0.02 -0.02 -0.15 -0.01 0.03 0.09 -0.05 -0.04 0.16 -0.01 0.01 0.09 -0.00 -0.22 -0.03 -0.01 0.25 0.06 -0.09 -0.23 -0.02 -0.09 0.13 0.07 0.03 -0.04 -0.03 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.01 0.03 0.01 -0.01 -0.02 0.04 -0.00 -0.02 0.00 -0.00 -0.01 0.02 -0.01 0.02 0.00 0.04 -0.01 -0.02 -0.05 -0.04 -0.01 0.01 0.02 0.01 -0.00 0.01 0.01 0.01 0.02 -0.02 0.04 0.00 0.02 -0.01 -0.02 -0.02 0.03 -0.01 0.00 0.01 0.01 0.01 -0.01 0.00 0.01 -0.00 0.01 0.00 -0.01 -0.01 0.01 -0.01 0.01 -0.03 -0.00 -0.00 -0.01 0.00 -0.01 0.00 0.01 0.00 0.00 0.06 0.05 -0.02 -0.07 -0.04 -0.00 0.05 0.05 -0.03 -0.05 -0.04 0.02 -0.00 -0.01 -0.02 0.03 -0.02 -0.04 -0.07 -0.05 -0.02 0.03 0.02 -0.02 0.03 0.02 0.00 0.00 -0.00 0.02 0.03 -0.03 -0.04 -0.02 0.02 -0.01 0.01 -0.01 -0.08 -0.11 -0.03 0.01 0.06 -0.01 0.02 0.00 -0.07 0.01 0.01 0.02 -0.04 0.00 0.04 -0.02 0.00 0.02 -0.02 -0.49 -0.15 0.00 0.52 0.17 -0.05 -0.39 -0.11 -0.04 0.39 0.17 0.02 0.02 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.01 -0.02 0.04 0.01 -0.01 -0.02 0.18 0.04 -0.08 -0.00 0.01 -0.01 0.03 -0.01 0.02 -0.00 0.04 -0.02 -0.04 -0.05 -0.04 -0.01 0.01 0.02 0.01 -0.00 0.01 0.00 0.01 0.02 -0.02 0.04 0.01 0.03 -0.02 -0.02 -0.03 0.11 -0.05 0.01 0.00 0.05 0.01 -0.04 0.02 0.04 -0.03 0.03 -0.01 -0.01 -0.03 0.05 -0.05 0.03 -0.11 -0.01 -0.02 -0.03 0.01 -0.03 0.01 -0.03 -0.02 0.01 -0.08 0.08 -0.07 0.08 -0.03 -0.02 -0.09 0.12 -0.13 0.07 -0.05 0.06 0.03 -0.03 -0.01 0.06 -0.02 -0.07 -0.06 -0.05 -0.03 0.04 0.02 -0.02 0.02 0.01 0.00 -0.01 -0.02 0.01 0.03 -0.03 -0.04 -0.02 0.02 -0.00 0.01 -0.01 -0.07 -0.09 -0.02 0.02 0.18 -0.05 0.07 -0.04 -0.32 0.03 0.05 0.09 -0.12 -0.01 0.19 -0.07 0.01 0.10 0.04 0.33 0.23 -0.07 -0.29 -0.17 -0.18 0.18 0.23 -0.22 -0.32 -0.07 0.06 -0.07 -0.06 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 0.04 0.02 0.01 0.02 0.08 -0.02 -0.00 -0.04 -0.04 0.01 0.01 0.01 -0.03 -0.01 0.03 -0.10 -0.14 -0.04 0.00 0.02 -0.00 0.06 0.02 -0.01 -0.01 -0.00 -0.00 -0.00 -0.00 -0.00 0.01 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.01 0.15 -0.01 0.02 -0.14 0.00 -0.03 0.04 0.03 -0.01 -0.01 -0.02 0.00 -0.02 -0.02 0.00 -0.03 0.00 -0.02 -0.03 0.01 -0.08 -0.07 0.06 0.48 0.74 0.33 -0.01 -0.00 -0.00 0.00 0.00 -0.01 0.00 0.00 -0.00 0.00 0.01 0.00 -0.00 0.00 0.00 -0.00 -0.01 -0.00 0.00 0.01 0.00 0.00 -0.01 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.01 0.01 -0.04 0.01 0.00 0.02 -0.04 0.02 0.00 -0.01 0.02 0.04 0.02 0.01 0.01 -0.02 0.01 -0.05 -0.05 -0.03 0.03 0.02 -0.00 0.00 -0.01 -0.00 0.01 -0.00 0.01 0.02 0.00 0.01 0.02 0.02 -0.01 -0.01 0.03 -0.02 -0.07 0.00 -0.04 -0.04 -0.00 0.01 0.03 -0.01 -0.04 0.07 -0.03 0.01 0.10 0.00 -0.00 0.01 0.02 -0.00 -0.01 0.02 0.02 -0.10 -0.01 0.01 0.01 -0.00 -0.01 -0.02 0.01 -0.02 0.00 0.00 0.01 -0.02 0.02 -0.00 0.01 -0.00 0.01 0.01 0.02 0.10 -0.01 -0.10 0.03 -0.00 -0.05 0.05 0.03 -0.01 -0.02 -0.04 0.01 -0.05 -0.04 -0.02 -0.02 0.02 0.02 0.01 -0.00 -0.00 -0.01 0.03 -0.03 -0.05 0.00 0.05 -0.01 -0.08 0.03 -0.04 -0.45 0.01 0.01 -0.56 0.04 -0.06 0.08 0.00 0.00 0.58 0.00 0.08 0.02 0.02 0.08 0.04 0.02 -0.01 -0.03 0.03 -0.01 -0.01 -0.01 -0.08 -0.04 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.09 -0.02 0.00 -0.04 0.02 0.00 -0.03 0.00 -0.02 -0.03 -0.03 -0.04 -0.01 0.05 -0.02 0.10 0.04 0.06 -0.06 -0.04 0.01 0.01 0.04 0.00 -0.02 0.00 -0.02 -0.04 -0.01 -0.02 -0.03 -0.04 0.02 0.03 -0.06 0.01 0.05 -0.00 0.01 -0.01 0.02 0.00 -0.02 0.01 0.01 -0.09 0.01 -0.00 0.08 0.00 -0.00 0.08 -0.00 0.00 0.01 -0.01 -0.01 -0.10 0.01 0.01 -0.00 0.00 -0.03 0.00 -0.01 -0.02 -0.01 -0.00 -0.00 0.02 -0.02 0.01 -0.01 0.00 0.02 0.00 -0.01 -0.18 0.03 0.12 -0.04 -0.01 0.09 -0.08 -0.07 -0.01 0.08 0.09 -0.00 0.09 0.07 0.02 0.05 -0.04 -0.04 -0.01 0.01 0.04 0.06 -0.08 0.05 0.08 -0.01 -0.04 0.04 0.06 -0.03 0.01 0.51 0.05 0.00 -0.46 -0.01 0.04 -0.03 -0.05 -0.03 0.50 0.01 0.12 0.06 -0.01 0.12 0.04 -0.02 -0.02 0.01 -0.02 -0.03 -0.01 0.00 -0.12 -0.05 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.01 -0.01 -0.10 0.02 -0.00 0.05 0.01 -0.01 -0.02 0.00 0.01 0.01 0.04 0.05 0.01 -0.05 0.01 -0.11 -0.02 -0.06 0.07 0.04 -0.01 -0.01 -0.05 -0.01 0.03 -0.00 0.02 0.04 0.01 0.04 0.02 0.04 -0.02 -0.02 0.06 0.02 -0.01 0.00 0.01 0.05 -0.03 -0.02 0.01 0.01 0.01 -0.13 -0.01 0.00 -0.00 0.00 -0.01 0.06 -0.02 -0.01 0.01 -0.00 -0.01 -0.02 0.01 0.03 0.01 0.00 -0.04 -0.01 -0.01 -0.04 -0.02 -0.00 -0.00 0.01 -0.01 0.01 -0.00 0.00 0.04 0.01 0.01 0.18 -0.04 -0.09 0.00 0.03 -0.09 0.07 0.07 0.02 -0.10 -0.10 -0.00 -0.08 -0.06 -0.02 -0.05 0.03 0.04 0.00 -0.02 -0.07 -0.09 0.10 -0.05 -0.08 0.01 0.02 -0.02 -0.01 -0.04 -0.01 0.78 -0.01 0.00 0.01 -0.01 -0.01 -0.06 0.01 -0.01 0.05 0.02 0.23 0.08 0.00 0.23 0.08 -0.02 -0.02 0.01 -0.02 -0.04 -0.02 -0.00 -0.21 -0.09 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.01 0.00 0.03 -0.00 0.00 -0.01 -0.02 -0.02 0.01 -0.00 0.00 -0.00 -0.01 -0.02 -0.00 0.02 -0.00 0.03 -0.00 0.02 -0.02 -0.01 0.00 0.01 0.02 0.00 -0.01 0.00 -0.01 -0.01 -0.00 -0.01 -0.01 -0.01 0.01 0.01 -0.02 0.02 -0.01 -0.00 -0.01 0.01 0.01 -0.00 0.00 0.01 -0.02 0.04 -0.01 -0.00 -0.03 0.01 -0.01 -0.05 0.01 -0.00 -0.00 0.01 0.02 0.04 -0.00 0.08 0.04 -0.01 -0.09 -0.05 0.00 -0.10 -0.03 0.00 0.01 -0.01 0.01 0.01 0.01 -0.00 0.08 0.03 0.00 -0.05 0.02 0.01 0.00 -0.01 0.02 -0.02 -0.02 -0.01 0.03 0.03 0.00 0.02 0.01 0.00 0.02 -0.01 -0.01 0.00 0.01 0.03 0.03 -0.03 0.02 0.02 -0.00 -0.00 0.04 -0.02 0.03 -0.02 -0.23 -0.02 -0.00 0.17 0.02 -0.04 0.01 0.01 0.03 -0.20 0.03 0.51 0.15 0.03 0.49 0.19 0.02 -0.03 -0.03 0.02 -0.06 -0.03 -0.01 -0.46 -0.18 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.01 -0.00 0.09 -0.04 -0.02 -0.05 0.04 -0.04 0.00 0.01 -0.03 -0.05 0.01 0.15 -0.00 -0.06 -0.05 -0.08 0.15 -0.01 0.07 0.07 -0.05 -0.09 -0.09 0.03 0.09 0.01 0.02 0.01 -0.02 0.02 -0.06 0.01 -0.01 -0.01 -0.05 -0.03 0.13 -0.00 0.04 -0.06 0.01 0.02 -0.05 -0.01 0.05 0.05 0.04 -0.01 0.03 -0.00 0.01 -0.02 -0.01 0.01 -0.00 -0.03 -0.02 -0.01 0.01 0.02 0.00 0.00 -0.02 0.00 -0.01 -0.01 -0.02 -0.00 -0.01 0.01 -0.02 0.00 -0.01 0.00 0.01 0.01 -0.06 -0.02 -0.07 0.30 -0.07 0.14 0.01 -0.07 0.00 0.14 -0.23 -0.16 -0.03 -0.03 0.03 0.13 -0.09 -0.10 0.12 -0.02 -0.17 -0.36 -0.35 0.29 -0.04 -0.10 -0.03 -0.07 0.03 0.18 -0.01 0.10 -0.28 0.05 -0.02 -0.12 -0.05 0.11 -0.02 -0.04 -0.03 0.08 0.00 0.07 0.04 -0.01 0.07 0.01 -0.01 0.01 0.02 -0.03 -0.00 0.00 0.00 -0.06 -0.01 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.11 -0.02 -0.14 0.03 0.01 0.07 0.09 -0.11 0.00 0.02 -0.03 -0.03 0.01 -0.06 -0.02 0.04 0.04 0.02 -0.02 -0.01 -0.02 -0.02 0.05 0.03 0.03 -0.05 -0.04 -0.02 -0.01 0.00 0.03 -0.01 0.04 -0.00 0.01 -0.01 0.17 -0.10 0.18 0.01 0.12 -0.08 -0.06 0.03 -0.06 -0.06 0.16 0.06 0.07 -0.02 0.03 -0.01 0.06 -0.02 -0.07 -0.01 0.00 -0.05 -0.08 -0.02 0.04 0.04 0.00 0.01 -0.03 0.01 -0.01 -0.01 -0.04 -0.00 -0.02 0.03 -0.05 0.01 -0.02 -0.01 0.02 0.01 -0.05 -0.04 -0.04 -0.16 0.13 -0.11 -0.05 0.04 0.07 -0.02 0.00 0.01 -0.05 0.03 0.05 -0.15 0.04 0.12 -0.12 0.01 0.16 0.24 0.23 -0.18 0.00 0.07 0.02 -0.00 -0.16 0.27 -0.08 0.29 -0.30 0.06 -0.04 -0.12 -0.15 0.23 -0.05 0.03 -0.10 0.09 0.01 0.08 0.07 -0.02 0.13 0.01 -0.01 0.03 0.05 -0.07 -0.00 0.01 0.00 -0.11 -0.01 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.02 -0.01 -0.03 0.01 -0.00 0.01 0.01 -0.01 0.00 0.00 0.00 0.01 -0.06 -0.01 0.07 0.02 0.04 0.02 -0.02 -0.05 -0.00 -0.02 -0.11 0.00 0.04 0.12 -0.02 -0.02 -0.01 0.00 -0.00 0.02 0.01 0.00 0.00 -0.00 0.03 -0.01 -0.00 0.00 0.01 -0.00 -0.01 0.00 0.00 -0.01 0.01 0.00 0.00 -0.00 0.00 -0.00 0.01 -0.00 -0.01 -0.00 -0.00 -0.00 -0.01 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.06 -0.10 -0.05 -0.10 0.20 -0.10 0.24 -0.11 -0.32 -0.13 0.36 0.22 0.26 -0.06 -0.22 0.26 -0.02 -0.21 0.26 0.05 -0.30 -0.19 -0.24 0.17 -0.01 0.04 0.01 0.02 -0.03 0.00 -0.01 0.03 0.00 0.00 -0.00 -0.00 -0.01 0.02 -0.00 0.01 -0.01 0.00 0.00 -0.00 0.00 -0.00 0.01 0.00 -0.00 0.01 0.01 -0.01 -0.00 0.00 -0.00 -0.01 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 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 0.08 0.03 -0.00 -0.07 -0.03 -0.00 -0.09 -0.04 0.00 0.08 0.04 0.00 0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.01 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.03 -0.43 -0.14 0.01 0.37 0.14 0.02 0.54 0.20 -0.02 -0.49 -0.17 0.00 -0.03 -0.01 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.04 -0.00 0.04 -0.02 -0.02 -0.02 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.02 -0.01 0.01 0.04 -0.00 0.01 0.05 -0.09 0.05 0.04 0.00 0.02 -0.03 -0.01 -0.08 -0.05 0.00 0.02 0.01 0.06 -0.04 -0.01 0.02 -0.02 -0.07 -0.01 -0.00 -0.01 -0.01 0.00 0.02 0.00 0.00 0.00 0.01 -0.00 0.01 -0.00 -0.00 -0.00 0.00 0.00 0.01 0.01 0.00 -0.01 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.06 -0.04 -0.05 -0.02 0.71 -0.19 -0.13 0.14 0.10 -0.05 -0.04 -0.09 0.01 -0.13 -0.11 -0.21 -0.16 0.28 0.22 0.17 -0.02 0.26 0.11 -0.01 -0.07 0.09 0.02 -0.05 -0.00 -0.01 -0.01 0.03 0.02 0.01 -0.01 0.01 0.00 0.04 -0.02 -0.04 0.00 0.01 0.00 0.00 0.00 -0.00 -0.01 -0.00 -0.00 -0.01 -0.00 -0.00 0.01 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 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 -0.01 -0.01 -0.00 0.00 0.00 0.00 0.00 0.00 0.01 0.01 -0.02 -0.01 0.01 0.07 -0.00 0.00 -0.00 0.01 0.00 -0.13 -0.01 -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 -0.00 -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 0.01 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 0.09 0.02 0.01 -0.43 -0.05 0.02 0.77 0.02 -0.01 -0.44 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 0.08 0.02 0.01 -0.00 0.01 -0.00 0.03 -0.03 0.00 -0.01 0.01 0.02 0.01 -0.04 -0.02 -0.03 -0.06 -0.04 -0.03 0.06 -0.03 -0.00 -0.01 0.09 -0.02 0.01 -0.02 0.00 0.03 0.02 0.02 -0.03 -0.01 0.00 -0.00 -0.00 -0.10 -0.08 -0.04 -0.02 0.00 -0.00 0.02 0.01 0.02 -0.00 0.07 0.00 0.03 -0.01 -0.00 -0.01 0.03 -0.00 0.02 0.03 0.01 -0.03 -0.05 -0.01 0.01 0.01 -0.00 0.02 -0.01 0.02 0.00 0.02 -0.03 0.00 -0.02 0.00 -0.01 -0.02 -0.01 -0.03 0.02 0.02 0.27 0.43 0.20 0.12 -0.33 0.13 -0.09 0.20 -0.02 -0.21 0.25 0.07 0.15 -0.18 -0.26 -0.05 -0.09 0.09 0.13 0.06 -0.07 0.03 -0.03 0.06 -0.02 -0.03 -0.00 -0.06 -0.13 -0.09 -0.04 0.18 -0.00 0.02 -0.02 0.04 -0.03 0.18 -0.05 -0.07 -0.04 0.02 0.02 -0.03 0.02 -0.00 -0.03 -0.05 0.01 0.09 0.04 -0.02 0.12 0.05 -0.02 -0.14 -0.02 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.01 0.00 -0.00 0.00 0.00 0.00 0.00 -0.01 -0.00 -0.00 -0.00 -0.00 0.00 -0.01 -0.00 -0.00 -0.01 -0.01 -0.00 0.01 -0.01 0.00 -0.00 0.02 -0.00 0.00 -0.01 -0.00 0.01 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.01 -0.01 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.01 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.01 -0.01 0.00 0.00 -0.00 -0.00 -0.00 -0.02 -0.01 -0.00 -0.03 -0.01 0.00 0.07 0.03 -0.00 0.08 0.03 -0.00 -0.09 -0.04 0.05 0.08 0.04 0.02 -0.05 0.02 -0.02 0.04 -0.00 -0.04 0.05 0.01 0.03 -0.04 -0.05 -0.01 -0.02 0.02 0.03 0.01 -0.01 0.01 -0.00 0.01 -0.01 -0.00 -0.00 -0.02 -0.01 0.01 0.00 0.02 -0.01 -0.00 -0.00 -0.00 -0.01 0.02 0.00 -0.01 -0.01 -0.00 0.02 0.20 0.06 0.01 0.22 0.09 -0.02 -0.43 -0.16 -0.02 -0.51 -0.20 0.01 0.53 0.21 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.01 -0.02 0.00 -0.00 0.00 -0.01 0.01 0.00 0.00 -0.00 -0.01 -0.00 0.00 0.00 0.00 0.01 0.01 0.00 -0.01 0.00 -0.00 0.00 -0.01 0.01 -0.00 0.01 -0.00 -0.00 -0.00 -0.01 0.00 0.01 0.00 0.00 0.00 -0.00 0.01 0.02 -0.00 -0.03 -0.01 -0.01 0.00 -0.01 0.37 0.12 0.04 -0.29 0.25 -0.03 -0.02 0.01 -0.01 0.04 0.01 0.02 -0.08 -0.36 -0.02 -0.01 0.00 0.01 -0.04 0.02 -0.02 -0.00 -0.02 0.04 -0.00 -0.00 -0.01 0.01 -0.00 0.00 0.04 0.01 -0.02 -0.04 -0.06 -0.03 -0.03 0.05 -0.02 0.02 -0.03 -0.00 0.03 -0.03 -0.01 -0.02 0.03 0.04 0.02 0.02 -0.03 -0.03 -0.02 0.01 -0.01 0.00 -0.01 0.00 0.00 0.00 0.01 0.04 0.04 0.40 0.10 -0.04 -0.33 0.24 0.04 0.05 -0.03 -0.11 -0.15 -0.37 0.05 -0.03 -0.01 -0.05 0.01 -0.02 0.04 0.01 0.04 0.01 0.01 0.02 0.01 0.04 -0.02 -0.03 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.01 -0.02 0.00 0.00 0.01 0.00 0.00 -0.01 0.01 -0.01 -0.03 0.00 -0.02 -0.01 -0.00 -0.02 -0.02 0.01 0.03 -0.02 0.00 -0.01 0.05 -0.02 0.00 -0.02 -0.01 0.01 0.01 0.01 -0.00 -0.00 -0.00 0.00 -0.01 -0.01 0.02 0.07 0.00 0.01 -0.01 -0.01 0.00 -0.02 -0.03 -0.02 0.00 0.03 -0.02 0.01 0.02 -0.02 0.00 -0.01 -0.00 -0.01 0.01 0.04 0.00 0.03 0.00 -0.01 -0.28 0.08 -0.18 -0.01 -0.12 0.33 -0.00 -0.03 0.05 -0.04 0.00 -0.03 0.30 0.05 -0.14 0.10 0.18 0.07 0.06 -0.11 0.04 -0.05 0.12 -0.01 -0.12 0.14 0.03 0.08 -0.10 -0.15 -0.05 -0.07 0.07 0.08 0.05 -0.04 0.04 -0.01 0.03 -0.03 0.00 0.00 -0.06 0.06 0.13 -0.03 -0.02 -0.04 0.03 -0.02 -0.04 -0.01 -0.01 0.03 0.00 0.04 -0.01 -0.26 0.07 -0.26 0.04 -0.17 0.33 -0.00 0.04 0.06 -0.02 0.06 -0.01 0.30 0.02 -0.18 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.04 -0.03 -0.05 0.01 0.00 0.03 -0.04 0.05 -0.00 0.03 -0.04 -0.08 0.00 -0.04 -0.02 0.01 -0.04 -0.03 0.04 0.04 -0.03 0.00 -0.01 0.08 -0.03 0.00 -0.03 -0.03 0.02 0.02 0.01 0.00 0.01 -0.00 0.01 -0.02 0.01 0.14 0.19 0.02 -0.01 -0.03 -0.04 -0.00 -0.07 0.04 -0.11 0.01 -0.06 0.02 0.01 0.01 -0.04 0.01 -0.00 -0.03 -0.01 0.03 0.05 0.00 -0.03 -0.01 0.00 0.05 -0.01 0.04 -0.00 0.02 -0.05 -0.00 0.01 -0.03 0.04 -0.01 0.02 -0.05 -0.00 0.02 0.12 0.24 0.08 0.10 -0.13 0.03 -0.09 0.20 -0.01 -0.19 0.21 0.05 0.13 -0.17 -0.24 -0.09 -0.11 0.13 0.14 0.08 -0.06 0.08 -0.00 0.04 -0.05 0.02 0.01 -0.11 0.28 0.38 0.11 -0.29 -0.07 -0.06 0.02 -0.08 0.07 -0.25 0.04 0.04 0.05 -0.01 0.04 -0.06 0.03 -0.02 -0.00 -0.06 -0.02 0.05 -0.01 0.03 0.01 0.03 -0.06 -0.03 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.01 0.00 -0.00 0.00 -0.02 0.00 0.01 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.01 0.01 0.01 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.01 -0.01 0.00 -0.01 0.00 -0.00 -0.01 0.00 0.00 0.01 -0.00 0.00 0.00 0.01 -0.00 0.01 -0.00 -0.00 0.01 0.04 -0.08 0.08 -0.01 0.03 0.06 -0.06 0.15 -0.10 0.06 -0.13 -0.13 -0.02 0.07 -0.00 -0.00 -0.00 -0.01 0.01 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.01 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.01 0.02 0.02 0.02 -0.05 -0.01 -0.02 -0.01 -0.00 0.02 -0.04 0.00 0.00 0.01 -0.00 0.20 0.08 -0.37 0.50 -0.04 0.05 0.45 -0.06 0.18 0.08 0.15 -0.41 -0.14 -0.03 0.08 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.22 0.02 -0.13 0.02 0.00 0.03 -0.00 0.01 0.00 0.01 -0.03 -0.05 -0.01 -0.01 0.02 -0.02 0.03 -0.04 -0.08 -0.04 0.08 -0.05 -0.01 -0.05 0.07 -0.02 0.04 -0.00 -0.01 0.00 0.01 0.00 0.04 0.02 -0.01 -0.00 -0.23 0.00 0.14 -0.03 -0.02 -0.02 -0.02 0.01 -0.04 0.01 -0.00 0.01 0.02 -0.04 0.01 0.00 -0.01 0.00 0.04 0.02 -0.00 -0.02 0.03 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.01 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.01 0.00 0.00 -0.00 0.09 0.11 0.03 -0.21 0.27 -0.05 0.17 -0.22 -0.11 0.10 -0.00 0.09 -0.05 0.20 0.19 0.14 0.23 -0.23 -0.28 -0.16 0.13 -0.06 0.08 -0.14 0.06 -0.01 0.03 -0.26 0.12 0.26 0.01 0.01 -0.04 -0.02 -0.09 -0.04 0.03 0.07 0.01 -0.18 0.06 -0.00 -0.01 -0.01 0.02 -0.03 0.00 -0.00 -0.03 -0.00 -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 -0.06 -0.01 0.06 -0.02 -0.01 -0.01 -0.00 0.00 -0.00 -0.00 0.00 0.01 0.01 -0.01 -0.03 -0.01 -0.05 -0.09 0.08 0.00 0.05 -0.08 -0.01 -0.00 0.04 -0.05 0.04 -0.04 0.01 0.03 0.00 0.00 -0.04 0.00 0.01 -0.02 0.05 0.00 -0.03 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 -0.01 -0.01 -0.00 0.01 -0.01 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.28 0.53 0.17 0.11 0.40 -0.05 0.19 -0.16 -0.19 -0.02 0.19 0.19 0.05 0.17 0.09 0.05 0.15 -0.13 -0.24 -0.13 0.14 -0.01 0.10 -0.14 -0.02 0.05 0.05 0.05 -0.02 -0.05 -0.00 -0.01 0.01 0.02 0.04 0.01 -0.01 -0.03 -0.00 0.06 -0.02 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 0.01 -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 -0.01 -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 -0.02 0.03 -0.11 -0.00 0.01 0.07 0.03 -0.08 0.02 0.03 -0.08 -0.07 0.01 -0.01 0.05 -0.03 0.07 -0.00 -0.01 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.01 0.00 0.00 0.00 -0.03 0.01 0.02 0.03 0.00 0.00 -0.02 -0.00 0.03 -0.01 0.00 -0.34 -0.09 0.35 0.53 0.00 -0.06 0.21 0.01 -0.08 -0.22 -0.07 0.20 0.25 -0.17 0.43 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.02 -0.02 -0.00 -0.01 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.01 0.03 0.03 -0.02 0.10 -0.10 0.04 0.04 0.11 -0.03 -0.06 0.02 0.02 -0.06 -0.05 -0.01 -0.00 0.02 0.00 0.00 -0.02 0.03 -0.01 -0.02 0.00 0.00 -0.01 -0.01 -0.01 0.00 0.00 -0.00 0.00 0.01 0.01 0.00 -0.00 -0.02 -0.00 -0.00 -0.00 -0.00 0.02 0.01 0.00 -0.01 0.01 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.30 -0.34 -0.34 0.22 -0.28 0.27 0.13 -0.05 -0.19 -0.09 0.21 0.15 0.17 -0.03 -0.13 -0.17 0.03 0.14 -0.09 0.02 0.16 0.22 0.20 -0.16 0.10 -0.10 0.06 0.02 0.01 -0.02 0.01 0.02 0.00 -0.04 -0.07 -0.00 0.02 0.01 0.00 -0.11 0.03 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.04 0.00 -0.01 -0.00 -0.00 -0.00 -0.01 -0.00 -0.00 -0.00 -0.00 -0.00 -0.01 0.01 0.01 -0.00 0.02 -0.01 -0.00 0.00 0.02 -0.00 -0.01 0.00 0.01 -0.01 -0.01 -0.00 -0.00 0.00 0.00 0.00 0.00 0.01 -0.00 -0.00 -0.06 -0.01 0.01 0.03 0.02 -0.00 0.00 0.00 -0.00 -0.07 -0.04 -0.00 0.02 0.12 0.00 0.02 0.01 0.00 -0.11 -0.03 -0.00 0.09 -0.07 0.00 -0.02 0.00 0.01 0.00 0.00 -0.00 -0.00 -0.00 0.01 0.00 0.00 -0.00 0.01 -0.00 0.00 -0.00 0.00 -0.00 -0.05 -0.07 -0.06 0.02 -0.05 0.04 0.01 -0.00 -0.02 -0.01 0.02 0.01 0.02 -0.01 -0.02 -0.02 0.01 0.02 -0.01 0.00 0.02 0.03 0.03 -0.03 0.02 -0.02 0.01 -0.08 -0.04 0.00 -0.07 -0.07 -0.01 0.32 0.46 0.02 -0.13 -0.00 -0.01 0.72 -0.21 0.03 0.03 0.01 -0.04 -0.01 0.00 0.01 0.01 0.00 -0.00 0.02 0.01 -0.02 -0.02 0.01 -0.02 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.03 -0.01 0.02 0.01 0.00 0.02 -0.00 0.00 -0.00 0.00 -0.00 -0.01 0.10 -0.01 0.14 -0.14 0.03 0.02 -0.07 -0.01 -0.03 -0.07 -0.01 -0.07 -0.06 0.01 -0.09 0.10 -0.02 -0.07 0.08 0.00 -0.06 0.01 -0.02 0.04 0.00 0.01 0.02 0.00 -0.00 -0.00 -0.00 0.00 -0.01 0.00 -0.01 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.01 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.30 0.16 0.11 0.03 0.02 0.22 -0.30 -0.13 0.17 -0.02 0.15 -0.04 0.26 0.23 -0.20 -0.23 0.28 0.29 0.23 -0.05 0.24 0.02 0.10 0.14 -0.07 -0.06 -0.07 0.01 0.08 0.00 0.00 0.01 0.01 0.02 -0.00 0.00 -0.02 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.02 -0.00 0.00 0.01 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.01 -0.00 0.00 0.00 0.00 -0.00 0.00 0.03 0.01 -0.03 -0.01 -0.00 -0.03 0.00 -0.00 0.00 -0.00 0.00 0.00 0.15 -0.04 0.03 0.18 -0.08 -0.07 0.02 0.04 0.01 -0.09 0.05 -0.05 -0.08 0.02 -0.02 -0.14 0.05 0.12 -0.06 -0.02 0.07 -0.02 0.04 -0.06 -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 0.16 -0.26 -0.12 -0.18 -0.24 0.01 0.17 -0.25 -0.07 0.15 0.01 0.16 -0.08 0.32 0.28 -0.09 -0.24 0.18 0.23 0.13 -0.11 0.03 -0.13 0.20 -0.25 0.10 0.08 0.05 -0.01 -0.05 0.00 -0.02 -0.00 -0.01 -0.01 0.00 -0.01 0.02 0.00 0.02 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.01 -0.00 0.01 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.02 -0.01 -0.00 0.00 0.00 0.01 -0.03 0.05 -0.01 0.00 -0.00 -0.01 0.00 -0.00 -0.00 0.01 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.01 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.03 0.08 0.01 -0.06 -0.14 0.00 -0.01 -0.00 -0.01 -0.01 0.02 0.00 0.05 -0.02 0.00 0.12 -0.07 0.00 -0.01 0.03 0.00 -0.00 -0.05 -0.00 -0.07 -0.02 0.03 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.01 -0.03 0.03 -0.01 0.01 -0.01 -0.00 0.01 0.01 -0.01 -0.00 -0.02 -0.01 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.01 -0.00 -0.00 -0.00 -0.00 -0.00 -0.01 -0.01 0.00 -0.01 0.01 0.00 0.08 0.23 0.07 -0.23 0.68 0.00 0.29 0.23 0.02 -0.11 0.31 -0.00 -0.20 -0.02 -0.01 0.07 0.03 -0.12 0.18 -0.01 0.01 0.02 0.01 -0.03 0.03 -0.01 0.02 -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 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.01 0.00 -0.00 -0.00 -0.00 0.01 -0.00 0.00 -0.00 0.00 -0.01 -0.00 0.00 -0.01 -0.05 0.00 -0.00 0.02 0.02 -0.04 0.03 -0.02 0.06 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 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 0.03 0.03 0.00 0.01 -0.03 0.00 -0.03 0.00 -0.00 0.09 0.05 -0.15 -0.19 0.01 -0.02 -0.47 0.03 -0.01 0.25 0.14 -0.38 0.31 -0.23 0.57 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.04 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 -0.01 -0.00 0.01 0.02 -0.00 0.00 -0.00 0.00 0.01 -0.01 0.00 -0.02 -0.02 -0.00 -0.01 -0.00 0.00 -0.01 0.04 0.00 0.02 0.01 -0.00 -0.06 -0.01 0.03 0.02 0.01 -0.03 0.03 -0.00 0.01 -0.04 0.01 -0.02 0.00 -0.02 0.05 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.01 -0.02 -0.00 0.05 -0.13 0.00 -0.21 -0.23 -0.02 -0.09 0.30 -0.00 0.21 -0.03 0.01 0.26 0.12 -0.39 0.46 -0.02 0.03 -0.41 0.03 -0.03 -0.15 -0.10 0.27 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.01 -0.00 -0.00 0.00 -0.00 0.00 -0.02 0.01 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.01 0.02 0.00 -0.01 -0.04 0.00 -0.00 0.00 -0.00 0.02 -0.03 0.00 -0.03 -0.04 -0.00 0.00 -0.01 -0.00 -0.00 0.07 0.00 0.03 -0.01 0.00 0.02 0.00 -0.01 -0.02 -0.01 0.02 -0.02 0.00 -0.00 0.02 -0.00 0.01 0.01 0.01 -0.03 0.00 -0.00 0.00 -0.01 0.01 0.00 0.01 0.01 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.01 0.07 0.03 0.02 -0.05 -0.00 -0.27 -0.31 -0.02 -0.18 0.62 -0.01 0.40 -0.08 0.02 -0.14 -0.06 0.20 -0.25 0.01 -0.01 0.21 -0.01 0.01 0.12 0.07 -0.19 0.03 -0.02 0.05 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.01 0.00 -0.01 0.00 -0.00 -0.00 -0.14 -0.02 0.07 0.00 -0.00 -0.00 0.01 0.00 -0.00 -0.01 0.00 0.01 0.01 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.01 -0.00 -0.01 -0.01 -0.00 0.01 -0.00 -0.00 0.00 0.02 0.04 -0.00 -0.05 -0.12 0.01 -0.01 0.00 -0.00 0.00 -0.02 0.00 0.01 0.00 -0.00 -0.04 0.05 -0.01 0.06 0.01 0.00 -0.02 -0.01 0.00 0.29 0.05 -0.15 0.06 0.01 -0.04 0.07 0.01 -0.02 -0.05 -0.03 0.09 -0.11 0.00 -0.00 0.01 0.00 -0.01 -0.03 0.03 -0.00 0.01 0.01 -0.01 0.00 0.00 -0.01 -0.01 0.01 0.01 0.01 0.00 -0.00 -0.01 -0.01 0.01 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.01 0.10 0.22 0.06 -0.04 0.10 -0.01 0.14 0.14 0.01 0.03 0.11 0.00 0.21 -0.05 -0.00 0.00 -0.02 0.07 -0.04 0.01 -0.05 -0.54 -0.01 0.08 -0.39 -0.13 0.39 -0.01 0.01 -0.02 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.03 -0.01 0.04 0.01 0.00 0.04 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.15 -0.03 0.13 0.06 -0.01 -0.07 -0.11 0.00 -0.02 0.05 0.03 -0.05 0.06 0.02 -0.03 -0.10 0.02 0.08 0.11 0.03 -0.12 0.01 0.01 -0.05 0.01 0.01 -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 -0.02 0.01 -0.00 0.01 0.00 0.00 -0.00 0.00 -0.00 0.01 0.00 -0.01 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.61 -0.26 0.15 0.19 -0.17 0.14 -0.01 -0.06 0.11 0.12 -0.25 -0.18 -0.12 -0.07 0.01 0.07 0.09 -0.09 0.04 0.02 -0.03 0.06 0.07 -0.08 0.17 -0.18 0.19 -0.16 -0.00 0.12 -0.00 0.01 0.00 -0.01 -0.00 -0.00 0.01 -0.01 -0.00 0.04 -0.01 0.00 -0.00 -0.00 0.01 -0.01 -0.00 -0.00 -0.02 0.00 0.00 -0.01 -0.00 0.01 0.00 0.00 0.01 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.02 0.01 0.00 -0.00 0.00 0.01 0.17 -0.09 -0.03 0.00 -0.00 -0.00 0.02 -0.01 -0.03 0.01 -0.00 0.00 -0.01 0.00 0.02 -0.01 0.00 0.01 -0.00 0.00 0.01 0.01 0.00 -0.00 0.03 -0.00 -0.03 -0.00 -0.00 0.00 0.03 0.03 -0.01 -0.13 -0.21 0.01 -0.01 0.01 -0.01 0.00 -0.01 -0.00 0.02 -0.02 -0.00 -0.22 0.22 -0.00 0.14 0.03 0.01 -0.05 0.03 -0.00 -0.09 -0.01 0.05 -0.02 -0.01 0.01 -0.01 -0.01 0.01 0.01 0.01 -0.02 0.01 -0.00 0.01 0.00 0.00 -0.01 -0.07 0.00 -0.03 -0.10 -0.01 -0.01 -0.00 0.01 -0.01 -0.02 0.02 0.01 0.01 0.01 0.00 0.01 -0.01 0.00 -0.02 -0.02 -0.00 -0.03 -0.02 0.02 -0.05 0.03 -0.02 0.17 0.50 0.18 0.07 -0.25 0.02 0.35 0.32 0.02 0.17 -0.02 0.01 0.27 -0.02 0.01 0.03 0.03 -0.06 -0.01 0.00 0.02 0.11 0.00 -0.02 0.08 0.02 -0.08 0.01 -0.00 -0.01 -0.00 0.00 0.00 -0.00 0.00 0.00 0.03 0.01 -0.08 0.02 -0.00 -0.03 0.02 -0.01 -0.00 -0.00 0.00 0.00 -0.09 0.04 0.13 -0.05 0.01 -0.00 0.12 -0.01 -0.11 0.03 -0.02 -0.04 0.01 -0.02 -0.05 -0.01 -0.01 -0.00 -0.21 -0.00 0.21 0.00 0.01 -0.02 -0.00 -0.01 0.01 -0.02 -0.02 0.00 0.00 -0.01 0.01 -0.00 0.00 -0.00 0.01 -0.01 -0.00 -0.00 0.02 -0.00 0.01 -0.01 0.00 -0.01 0.00 -0.00 -0.02 -0.00 0.01 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.01 0.00 -0.00 0.00 0.00 0.00 -0.00 0.29 0.07 0.18 0.56 0.10 0.01 0.01 -0.06 0.03 0.07 -0.09 -0.05 -0.01 -0.04 -0.02 -0.05 0.04 0.00 0.10 0.09 0.03 0.18 0.13 -0.09 0.26 -0.18 0.11 0.34 0.09 -0.20 0.02 -0.06 -0.01 0.06 0.05 0.00 -0.00 0.04 0.00 -0.02 0.00 -0.00 0.01 0.01 -0.02 0.00 0.00 0.00 0.03 -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 -0.01 0.02 0.00 -0.00 0.00 0.00 -0.03 0.01 0.00 -0.00 0.00 0.01 0.00 -0.01 -0.01 0.00 0.00 -0.00 -0.01 0.00 0.01 -0.00 0.00 0.00 0.00 0.01 0.00 -0.00 0.00 0.00 0.02 0.00 -0.02 -0.00 0.00 -0.00 0.00 -0.13 -0.05 -0.12 0.09 0.02 -0.01 0.02 -0.01 0.02 -0.05 -0.00 0.05 0.03 -0.00 0.15 0.04 -0.00 -0.01 -0.08 -0.00 -0.02 -0.02 0.00 0.03 -0.02 0.05 0.01 0.01 -0.02 -0.03 0.01 -0.01 -0.03 0.00 -0.01 0.02 0.01 -0.03 0.01 -0.01 0.02 -0.01 -0.01 -0.01 -0.01 -0.00 0.01 -0.00 0.00 0.01 -0.00 -0.00 -0.00 -0.01 0.00 0.01 0.01 -0.01 -0.01 -0.00 -0.01 -0.01 -0.01 -0.01 0.01 0.02 -0.02 0.01 0.19 0.55 0.26 0.16 -0.49 0.02 0.09 0.08 0.02 -0.14 0.30 -0.00 -0.25 0.03 -0.02 0.03 0.02 -0.07 -0.07 0.01 -0.02 0.11 0.00 -0.00 -0.06 -0.03 0.08 -0.01 0.01 -0.02 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.01 -0.00 -0.01 0.00 0.00 -0.00 0.00 -0.00 0.00 0.07 0.09 -0.06 -0.04 -0.01 0.07 0.01 -0.01 -0.02 -0.02 -0.03 0.03 -0.02 -0.02 0.01 -0.03 0.01 0.02 0.01 -0.01 -0.01 -0.01 0.03 -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 0.25 -0.26 0.17 -0.33 0.04 -0.16 0.02 0.06 -0.11 -0.06 0.09 0.06 0.11 0.02 -0.05 -0.09 -0.01 0.09 -0.06 0.00 0.07 -0.04 -0.04 0.03 0.56 -0.47 0.24 -0.03 0.00 0.03 -0.00 0.01 0.00 -0.00 -0.00 0.00 0.00 -0.01 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.01 -0.00 -0.01 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.04 0.20 0.07 0.02 -0.05 0.01 0.02 -0.02 -0.05 0.01 -0.06 -0.01 0.01 -0.07 -0.02 0.01 -0.01 -0.01 0.01 0.00 -0.00 0.01 -0.03 0.06 0.00 -0.01 -0.01 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.01 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.28 -0.06 0.14 -0.45 -0.23 -0.16 0.10 -0.02 -0.16 0.00 -0.03 -0.01 0.15 -0.04 -0.13 -0.16 0.12 0.07 -0.03 0.06 0.18 0.11 0.11 -0.12 -0.43 0.37 -0.17 -0.02 0.03 0.04 0.01 -0.02 0.00 0.00 0.00 0.00 -0.01 0.01 -0.00 -0.01 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.01 0.01 0.01 0.00 -0.00 -0.01 -0.00 -0.00 0.01 -0.00 0.00 0.01 0.00 -0.00 0.00 -0.00 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 -0.00 0.02 0.00 -0.00 -0.00 0.01 -0.11 -0.08 0.05 0.03 0.03 -0.02 0.03 -0.01 0.00 0.03 -0.00 -0.01 -0.01 -0.00 -0.03 -0.06 -0.00 -0.02 0.03 -0.00 0.02 0.00 0.00 -0.07 0.06 -0.13 -0.02 -0.02 0.06 0.05 -0.01 0.02 0.10 -0.01 0.01 -0.03 -0.03 0.08 -0.03 0.02 -0.05 -0.00 0.00 -0.00 0.06 0.02 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 -0.08 0.59 0.46 -0.03 0.13 0.02 -0.04 -0.04 0.01 0.04 -0.15 0.01 0.07 -0.01 0.00 -0.11 -0.07 0.20 0.25 -0.02 0.04 -0.28 0.00 0.00 0.19 0.09 -0.24 -0.00 0.01 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.02 -0.00 0.01 0.00 -0.00 -0.01 0.01 0.01 -0.01 0.00 0.00 0.01 0.00 0.00 0.00 -0.00 0.00 0.00 0.01 -0.00 -0.01 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.04 -0.00 0.03 -0.00 -0.00 0.00 0.02 -0.05 -0.07 0.09 -0.01 0.02 -0.02 0.02 -0.01 -0.01 0.02 -0.00 -0.01 -0.00 -0.00 -0.07 -0.05 0.00 -0.01 0.04 -0.00 -0.00 0.01 -0.00 0.06 -0.06 0.11 0.01 0.02 -0.04 -0.04 0.01 -0.02 -0.09 0.01 -0.01 0.03 0.03 -0.08 0.02 -0.02 0.04 -0.01 0.00 -0.00 0.08 0.03 0.01 -0.01 0.00 0.00 0.00 0.01 0.01 0.00 0.01 0.01 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.01 0.00 -0.00 -0.01 0.01 -0.01 -0.27 0.34 0.43 -0.11 0.34 0.01 -0.14 -0.15 0.00 0.09 -0.28 0.01 0.19 -0.03 0.01 0.10 0.06 -0.18 -0.22 0.01 -0.03 0.25 -0.01 -0.00 -0.17 -0.08 0.22 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 -0.01 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 0.01 0.00 -0.01 0.01 -0.00 -0.00 -0.00 0.00 -0.00 -0.01 0.01 -0.00 -0.02 -0.02 -0.00 0.01 -0.00 0.00 -0.01 0.01 -0.00 0.03 -0.01 0.00 -0.00 0.00 0.00 -0.10 -0.04 0.11 0.16 -0.00 -0.01 0.06 0.00 -0.01 -0.05 -0.01 0.04 -0.07 0.05 -0.12 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 -0.06 -0.02 0.03 0.03 -0.09 0.00 0.05 0.05 0.00 -0.02 0.06 -0.00 -0.09 0.01 -0.00 0.28 0.15 -0.46 -0.52 0.04 -0.04 0.26 -0.01 -0.01 -0.18 -0.08 0.22 0.17 -0.12 0.32 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.01 -0.01 0.01 0.00 -0.00 -0.00 -0.01 -0.01 0.00 0.00 0.00 0.00 0.01 0.01 -0.01 -0.00 0.00 0.00 -0.00 -0.00 -0.01 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.02 -0.00 0.01 0.00 -0.00 0.00 0.04 0.03 -0.03 0.05 -0.04 0.00 -0.01 0.00 -0.00 -0.05 0.13 0.00 -0.10 -0.12 -0.01 -0.03 -0.03 0.00 -0.02 0.08 -0.00 0.15 -0.04 0.00 0.02 -0.00 0.01 0.02 0.01 -0.03 -0.03 0.00 -0.00 -0.02 -0.00 0.00 0.01 0.01 -0.02 0.01 -0.01 0.03 0.02 -0.03 0.01 0.08 0.03 0.01 -0.01 0.01 -0.00 -0.00 0.01 0.01 0.01 0.01 0.01 -0.00 -0.00 0.00 -0.01 -0.00 0.01 -0.00 -0.00 0.00 -0.02 0.02 -0.01 -0.35 -0.11 0.19 0.15 -0.50 -0.00 0.33 0.35 0.02 -0.07 0.24 -0.00 -0.39 0.07 -0.01 -0.04 -0.02 0.07 0.05 -0.00 0.00 -0.03 -0.00 0.00 -0.00 0.00 -0.00 -0.03 0.02 -0.05 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.03 0.01 -0.01 -0.02 -0.00 0.00 -0.01 0.01 -0.00 -0.00 -0.00 -0.01 -0.04 -0.03 0.04 0.01 -0.01 -0.00 0.03 0.02 0.02 0.01 0.02 -0.00 0.01 0.00 -0.01 -0.00 -0.00 0.00 0.05 0.00 -0.04 -0.01 0.01 -0.02 -0.07 -0.04 0.06 0.05 0.02 0.01 0.01 -0.00 0.00 0.00 0.06 0.00 -0.03 -0.06 -0.00 -0.05 -0.09 0.00 -0.02 0.07 0.00 0.06 -0.00 0.00 0.01 -0.01 0.01 0.00 0.00 -0.01 -0.00 0.00 -0.00 -0.02 0.00 -0.00 0.01 0.01 -0.02 0.00 -0.00 0.01 -0.14 0.20 -0.04 -0.34 -0.14 -0.06 0.04 -0.06 0.02 0.02 -0.07 -0.05 -0.04 -0.05 -0.03 0.02 0.03 -0.03 0.05 0.02 -0.02 0.02 0.03 -0.02 0.10 -0.08 0.04 0.68 0.33 -0.30 0.03 -0.03 0.00 0.07 0.06 -0.00 0.04 -0.10 0.00 0.04 0.00 0.01 0.02 0.01 -0.03 -0.04 0.00 -0.00 0.05 -0.00 0.00 -0.04 -0.02 0.05 0.01 -0.01 0.02 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.02 0.00 -0.01 0.02 0.00 0.03 -0.00 0.01 -0.00 0.00 -0.00 -0.00 0.07 0.03 -0.08 -0.03 0.02 -0.00 -0.09 -0.03 -0.02 -0.02 -0.02 0.02 -0.00 0.00 0.01 -0.00 0.01 -0.00 0.01 0.00 -0.02 0.02 -0.03 0.04 -0.03 -0.02 0.04 0.01 0.01 0.00 0.01 -0.00 0.00 0.00 0.02 0.00 -0.01 -0.02 -0.00 -0.02 -0.04 0.00 -0.01 0.02 0.00 0.02 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.01 0.00 -0.00 0.00 0.00 -0.01 0.00 -0.00 0.00 0.36 -0.43 0.10 0.47 0.22 0.11 -0.04 0.11 -0.07 -0.04 0.07 0.05 0.09 0.09 0.04 -0.03 -0.07 0.09 -0.14 -0.06 0.04 -0.08 -0.09 0.06 -0.21 0.16 -0.09 0.35 0.14 -0.17 0.01 0.00 0.00 0.02 0.01 -0.00 0.02 -0.05 0.00 0.04 -0.00 0.00 0.01 0.00 -0.01 -0.01 0.00 -0.00 0.02 -0.00 0.00 -0.01 -0.01 0.02 0.00 -0.00 0.01 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.01 0.00 0.01 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.04 0.01 -0.04 0.00 -0.00 0.01 -0.03 -0.01 -0.00 -0.04 0.05 0.05 -0.09 -0.06 0.08 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 -0.08 -0.00 0.12 0.07 0.03 0.23 -0.15 -0.12 0.06 -0.25 -0.07 0.09 -0.12 -0.26 0.17 0.21 -0.42 0.47 0.12 -0.16 0.22 0.34 -0.13 0.00 -0.01 0.00 0.01 0.00 -0.01 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -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 0.03 -0.02 0.01 -0.03 -0.01 -0.01 0.05 -0.09 -0.06 -0.04 -0.04 0.03 -0.00 -0.00 0.01 0.01 0.00 -0.01 -0.01 0.01 -0.01 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.09 0.06 -0.04 0.04 -0.03 0.02 -0.38 0.34 0.08 -0.09 0.37 0.14 -0.01 0.30 0.43 0.05 0.18 -0.23 0.29 0.10 -0.05 0.11 0.19 -0.10 0.02 -0.02 0.02 0.03 0.01 -0.02 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.01 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.02 -0.00 -0.02 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.12 -0.01 -0.13 0.12 -0.05 0.13 0.04 0.05 0.02 0.00 -0.01 -0.04 0.02 0.02 -0.00 0.01 -0.03 0.00 -0.01 0.01 0.04 -0.05 0.06 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.49 -0.36 0.16 -0.40 -0.05 -0.12 -0.11 0.01 0.15 -0.06 0.17 0.04 -0.15 -0.02 0.12 0.20 -0.17 -0.15 0.09 -0.06 -0.19 0.18 0.17 -0.00 -0.11 0.11 -0.07 -0.02 -0.00 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 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.01 -0.00 -0.00 -0.00 -0.00 0.00 0.01 -0.03 -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 -0.01 -0.00 0.00 -0.00 -0.04 0.01 0.01 0.19 -0.11 0.01 0.00 0.00 -0.00 -0.11 -0.06 -0.01 -0.00 0.10 -0.00 0.02 0.20 0.00 -0.08 -0.03 -0.00 0.12 -0.08 0.00 0.02 -0.01 0.04 -0.03 0.01 -0.02 0.03 0.01 -0.03 0.05 0.00 -0.02 -0.05 -0.00 0.02 0.02 -0.02 0.04 -0.01 0.00 -0.00 0.00 0.00 0.00 0.00 0.03 -0.03 -0.01 -0.02 -0.02 0.02 0.03 0.02 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.19 0.24 -0.02 -0.18 0.07 -0.00 -0.38 -0.30 -0.02 -0.13 0.05 -0.01 -0.56 0.06 -0.02 -0.04 0.01 -0.02 -0.10 0.02 -0.04 -0.19 0.02 -0.03 0.03 0.04 -0.11 -0.11 0.08 -0.19 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.01 0.00 -0.00 0.00 -0.01 -0.00 0.00 0.03 0.00 0.01 -0.02 -0.01 -0.04 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.01 -0.00 0.02 0.01 0.01 0.17 -0.07 -0.12 -0.31 0.14 -0.22 -0.30 -0.14 0.15 0.13 0.07 -0.27 -0.08 0.28 0.43 0.29 -0.22 0.39 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.02 -0.02 -0.02 -0.01 0.01 -0.00 0.00 0.00 0.00 0.01 0.02 -0.03 0.02 -0.03 -0.01 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.01 0.01 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 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 0.02 0.01 0.03 -0.00 -0.04 -0.30 0.34 0.08 0.25 0.23 -0.18 -0.22 -0.12 -0.28 0.44 0.04 0.26 0.22 0.13 -0.33 -0.18 -0.07 -0.02 0.01 -0.01 0.01 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.01 -0.01 0.00 -0.00 -0.01 0.00 -0.00 0.00 0.00 -0.01 -0.01 0.01 -0.02 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.01 -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 -0.01 0.00 0.00 0.05 -0.03 0.00 0.00 0.00 -0.00 -0.03 -0.02 -0.00 -0.01 0.04 -0.00 -0.01 0.06 -0.00 -0.02 -0.04 -0.00 0.04 -0.01 0.00 -0.06 0.05 -0.12 0.11 -0.01 0.00 -0.07 -0.03 0.08 -0.12 -0.02 0.07 0.13 0.01 -0.04 -0.06 0.05 -0.12 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.01 0.01 0.00 0.01 0.01 -0.01 -0.01 -0.00 -0.02 0.03 0.00 0.02 0.02 0.01 -0.02 -0.01 -0.00 -0.00 -0.00 0.00 0.05 0.06 -0.00 -0.06 0.05 -0.00 -0.10 -0.06 -0.00 -0.06 0.08 -0.00 -0.19 0.03 -0.01 -0.00 -0.07 0.20 0.22 -0.05 0.11 0.38 -0.05 0.10 -0.10 -0.12 0.32 0.30 -0.22 0.52 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.03 -0.02 -0.02 -0.00 0.01 -0.00 0.01 0.00 0.01 -0.04 0.00 -0.01 -0.01 0.00 -0.03 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.01 0.00 -0.03 -0.01 -0.00 -0.25 0.08 0.20 0.42 -0.17 0.31 0.39 0.16 -0.23 0.13 0.02 -0.21 -0.09 0.18 0.30 0.22 -0.16 0.29 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.08 -0.01 0.03 -0.03 0.02 -0.03 -0.02 -0.01 0.01 0.00 -0.04 -0.02 0.01 0.02 0.00 -0.00 0.01 0.01 0.00 -0.01 -0.01 0.01 -0.01 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -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 -0.01 0.06 0.00 0.01 -0.03 -0.35 0.36 0.07 0.34 0.27 -0.20 -0.27 -0.14 0.22 -0.36 -0.04 -0.22 -0.20 -0.11 0.28 0.20 0.02 0.02 -0.02 0.01 0.02 0.01 -0.01 -0.00 0.00 0.00 -0.01 -0.00 -0.00 -0.00 -0.00 -0.00 -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 -0.03 -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 -0.03 -0.09 -0.00 -0.00 -0.00 -0.00 -0.05 0.07 -0.00 0.07 0.00 0.00 0.09 0.02 0.00 -0.05 0.12 -0.00 -0.04 -0.07 -0.00 0.10 0.02 -0.05 -0.02 -0.03 0.09 -0.10 0.02 -0.04 -0.10 0.02 -0.03 -0.03 -0.04 0.09 0.06 0.01 -0.03 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.01 -0.00 0.00 0.08 -0.33 -0.00 -0.14 -0.25 -0.01 0.11 -0.39 0.00 0.09 -0.11 -0.00 0.23 0.09 -0.26 0.33 -0.00 -0.03 0.36 -0.00 -0.03 0.23 0.09 -0.26 0.08 0.01 -0.03 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.01 0.02 0.00 -0.07 -0.08 -0.00 -0.00 -0.00 -0.00 -0.03 0.07 -0.00 0.10 0.00 0.01 0.10 0.01 0.00 -0.06 0.14 -0.00 -0.04 -0.07 -0.00 -0.10 -0.00 0.03 0.03 0.03 -0.09 0.07 -0.02 0.04 0.10 -0.02 0.04 0.05 0.03 -0.09 -0.08 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.03 -0.02 0.00 0.09 -0.33 0.00 -0.13 -0.27 -0.01 0.12 -0.44 0.00 0.11 -0.12 -0.00 -0.22 -0.09 0.26 -0.25 -0.00 0.04 -0.31 -0.00 0.04 -0.21 -0.10 0.28 -0.04 -0.04 0.11 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 -0.01 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.02 0.00 0.00 0.00 -0.00 0.00 -0.02 0.01 0.00 0.22 -0.07 0.01 0.00 0.00 -0.00 -0.13 0.11 -0.00 -0.14 -0.03 -0.01 0.15 0.01 0.00 0.12 -0.09 0.00 -0.24 0.06 -0.01 0.12 0.01 -0.03 -0.17 -0.04 0.12 -0.24 -0.01 0.04 0.25 0.01 -0.04 0.17 0.05 -0.13 -0.12 -0.01 0.03 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.06 0.11 0.00 -0.03 -0.23 -0.00 0.03 0.17 0.00 0.05 0.16 0.00 0.29 -0.05 0.00 0.06 0.09 -0.23 0.27 -0.04 0.07 -0.30 0.03 -0.06 -0.08 -0.09 0.25 -0.10 -0.03 0.09 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.01 -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 0.01 0.01 -0.00 -0.11 -0.05 -0.01 -0.00 -0.00 -0.00 0.04 0.06 0.00 0.12 0.12 0.01 -0.11 -0.08 -0.01 -0.05 -0.06 -0.00 0.13 0.02 0.00 -0.07 0.10 -0.25 -0.07 -0.09 0.24 0.05 -0.05 0.13 -0.03 0.05 -0.13 0.06 0.09 -0.24 0.09 -0.11 0.27 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.03 -0.04 0.00 0.08 -0.06 -0.00 -0.15 -0.18 -0.01 -0.10 0.03 -0.00 -0.15 0.08 -0.00 0.26 0.08 -0.23 -0.10 -0.05 0.14 0.05 0.06 -0.15 -0.27 -0.07 0.20 -0.23 0.11 -0.28 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.01 0.02 -0.01 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.01 0.00 0.00 0.00 -0.00 0.00 0.01 0.02 -0.00 -0.09 -0.17 -0.01 -0.00 0.00 -0.00 0.00 0.26 0.01 0.18 0.26 0.01 -0.17 -0.24 -0.01 -0.03 -0.24 -0.00 0.11 0.11 0.01 0.09 -0.06 0.13 -0.03 0.03 -0.08 -0.10 0.03 -0.06 0.10 -0.02 0.05 0.02 -0.03 0.09 -0.08 0.05 -0.12 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.02 -0.00 0.02 0.19 -0.29 0.00 -0.32 -0.28 -0.02 -0.19 0.23 -0.01 -0.08 0.17 0.00 -0.10 -0.00 0.01 0.13 0.02 -0.06 -0.12 -0.02 0.05 0.12 0.01 -0.04 0.07 -0.06 0.15 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 -0.01 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.02 0.00 0.01 0.00 -0.00 0.00 -0.02 0.01 0.00 0.19 -0.13 0.01 0.00 0.00 -0.00 -0.13 0.21 -0.00 -0.07 0.06 -0.00 0.14 -0.09 -0.00 0.11 -0.17 0.00 -0.22 0.09 -0.01 -0.18 0.03 -0.04 0.14 0.01 -0.05 0.24 -0.01 0.01 -0.22 0.01 -0.01 -0.13 -0.01 0.04 0.12 -0.03 0.06 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.05 0.11 0.01 0.05 -0.38 0.00 -0.09 0.06 -0.00 -0.00 0.21 0.00 0.29 -0.01 0.00 -0.00 -0.07 0.18 -0.30 0.02 -0.00 0.26 -0.01 0.01 -0.02 0.05 -0.13 0.02 0.06 -0.15 -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 -0.01 -0.01 -0.01 -0.10 0.08 -0.03 0.01 0.02 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.35 -0.34 0.30 -0.01 -0.00 -0.01 -0.24 0.27 -0.30 -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 0.25 -0.21 0.10 -0.03 -0.02 -0.00 -0.01 0.01 0.01 -0.00 0.01 0.01 0.01 -0.01 -0.01 0.01 0.01 -0.01 -0.00 0.00 0.01 0.00 -0.00 -0.00 -0.47 0.30 0.04 0.00 0.00 -0.00 0.00 -0.01 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.01 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.05 -0.01 -0.02 -0.32 -0.08 -0.37 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.02 0.00 -0.03 -0.00 -0.02 -0.00 -0.10 -0.01 -0.02 0.00 0.00 0.01 0.00 0.00 0.01 0.01 -0.01 0.02 0.56 0.13 0.53 -0.01 0.01 -0.01 0.03 0.01 0.01 -0.02 0.01 -0.00 -0.01 0.00 0.00 0.01 -0.02 -0.00 0.00 -0.01 -0.00 -0.01 0.00 0.00 -0.01 0.01 -0.00 0.01 -0.01 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.01 -0.00 0.01 0.27 0.06 0.13 -0.02 0.03 -0.01 -0.01 -0.02 -0.02 0.01 0.00 0.00 0.03 0.03 -0.05 0.00 -0.00 0.01 -0.00 -0.00 0.01 -0.01 0.00 0.01 -0.05 -0.03 0.08 -0.01 0.05 -0.00 0.02 -0.00 0.00 0.00 -0.02 0.00 -0.01 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -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 0.13 -0.23 -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 0.02 -0.03 -0.09 -0.01 -0.01 -0.00 -0.17 0.31 0.71 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.01 -0.04 -0.02 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 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 0.02 0.02 -0.01 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.33 0.24 0.26 -0.16 -0.12 0.16 -0.29 0.35 -0.31 -0.31 -0.17 -0.25 0.17 -0.28 0.20 -0.10 0.17 0.16 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 0.01 -0.03 -0.01 -0.03 -0.03 0.01 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.26 0.19 0.21 -0.13 -0.10 0.13 -0.24 0.29 -0.25 0.38 0.21 0.30 -0.21 0.34 -0.25 0.13 -0.21 -0.20 -0.01 -0.00 0.01 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.05 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 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.55 -0.46 0.69 0.00 -0.00 0.00 -0.01 0.01 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 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 -0.06 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 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.48 0.38 0.37 -0.03 -0.01 0.00 0.32 -0.41 0.34 -0.14 -0.08 -0.11 -0.09 0.16 -0.11 0.01 -0.01 -0.01 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.02 -0.00 0.02 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 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.15 -0.12 -0.11 0.00 0.00 0.00 -0.10 0.13 -0.10 -0.46 -0.27 -0.36 -0.30 0.52 -0.36 0.02 -0.02 -0.01 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.03 -0.07 -0.05 -0.00 -0.00 0.01 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.01 -0.00 -0.02 0.01 0.01 0.01 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.20 0.10 0.15 -0.13 0.20 -0.16 -0.38 0.58 0.59 0.04 0.01 -0.10 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.05 0.06 -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 0.01 0.00 -0.02 0.00 -0.00 -0.00 -0.15 -0.11 -0.13 -0.59 -0.44 0.60 0.13 -0.14 0.12 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.01 -0.00 0.01 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.01 -0.01 0.03 0.01 -0.08 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.08 0.04 -0.16 0.01 -0.01 -0.02 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.01 0.01 0.01 -0.01 0.01 -0.01 -0.04 0.06 0.07 -0.41 -0.10 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 0.01 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.02 -0.01 0.01 0.00 0.00 -0.01 0.00 0.02 -0.06 0.02 -0.01 0.01 -0.03 -0.01 0.02 -0.00 -0.00 0.00 0.00 -0.00 -0.01 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.23 0.06 -0.14 -0.01 -0.04 0.11 -0.03 -0.28 0.73 -0.24 0.06 -0.14 0.41 0.07 -0.20 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 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 -0.00 0.00 -0.00 -0.00 0.05 0.01 0.00 -0.00 -0.02 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.01 -0.01 0.01 -0.01 -0.00 -0.00 0.57 -0.52 0.04 -0.56 -0.18 -0.03 0.04 0.20 0.01 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.01 -0.00 0.02 0.03 -0.02 -0.08 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.13 0.05 -0.24 -0.31 0.24 0.87 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.01 0.01 0.01 0.01 0.00 -0.03 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.01 0.00 0.00 -0.00 -0.02 0.00 -0.01 0.01 0.00 -0.01 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.01 -0.00 0.01 -0.00 -0.01 0.03 0.00 0.01 -0.03 -0.05 0.01 -0.03 0.02 0.00 -0.01 0.00 0.00 -0.01 -0.01 0.01 0.02 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.17 0.04 -0.10 0.02 0.14 -0.38 -0.02 -0.15 0.38 0.62 -0.16 0.37 -0.23 -0.04 0.11 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -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 0.00 0.00 0.00 0.00 0.05 0.02 0.00 -0.01 -0.05 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.02 -0.01 -0.00 -0.43 0.39 -0.03 -0.53 -0.18 -0.03 0.12 0.57 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 0.04 0.01 -0.07 0.01 -0.01 -0.02 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.01 0.00 -0.01 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.42 -0.17 0.82 -0.09 0.07 0.25 -0.01 -0.00 -0.00 -0.01 -0.01 0.01 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.01 0.01 0.01 -0.08 -0.02 0.17 0.00 -0.00 0.00 0.00 0.00 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 -0.00 0.00 -0.00 0.00 0.02 0.00 -0.01 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.04 0.01 -0.02 -0.00 -0.02 0.05 0.00 -0.00 0.01 -0.00 0.00 -0.01 -0.05 -0.01 0.02 0.01 0.00 -0.02 0.00 -0.00 -0.01 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.01 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.41 -0.11 0.24 0.03 0.20 -0.53 -0.00 0.03 -0.08 0.07 -0.02 0.05 0.57 0.09 -0.28 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.06 0.01 -0.03 0.00 0.02 -0.04 0.00 0.01 -0.03 -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 -0.00 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 0.01 0.00 0.62 -0.16 0.36 -0.03 -0.18 0.48 -0.02 -0.12 0.31 0.22 -0.05 0.13 -0.09 -0.01 0.04 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -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 0.00 0.00 -0.05 -0.01 -0.00 -0.01 -0.07 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.17 -0.15 0.01 0.54 0.17 0.03 0.15 0.77 0.03 -0.02 0.01 -0.01 -0.00 -0.01 0.02 0.00 0.01 -0.02 0.02 -0.01 0.01 0.03 0.00 -0.01 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.02 -0.01 0.01 0.00 0.02 -0.04 -0.00 -0.01 0.03 -0.04 0.01 -0.02 -0.04 -0.01 0.02 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.01 0.01 -0.00 -0.03 -0.01 -0.00 -0.01 -0.04 -0.00 -0.26 0.07 -0.15 -0.03 -0.17 0.45 0.01 0.11 -0.28 0.44 -0.11 0.27 0.48 0.08 -0.23 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 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 -0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.95 0.30 0.06 -0.00 -0.00 0.00 -0.02 -0.01 -0.00 0.00 0.01 0.00 -0.01 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 35 35 8 8 8 7 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 35 35 8 8 8 7 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 78.91834 78.91834 15.99491 15.99491 15.99491 14.00307 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 502.97317 0.9997 0.02032 -0.01335 -0.02053 0.99967 -0.01544 0.01303 0.01571 0.99979 asymmetric 1 0.00844 0.00473 0.00382 0.17590 0.09861 0.07952 936336.8 24.90 33.69 39.09 41.63 55.81 70.92 83.21 95.51 100.09 109.92 125.32 133.12 167.39 218.01 233.26 250.14 274.04 292.55 313.21 322.99 333.66 353.98 393.51 414.11 439.46 449.22 474.81 556.54 567.92 583.28 606.36 610.77 623.67 629.07 682.79 706.36 713.39 728.97 802.48 815.76 836.95 844.33 900.92 918.05 932.59 958.40 1014.24 1023.55 1033.42 1061.92 1094.63 1142.43 1143.58 1153.66 1211.10 1217.16 1224.12 1276.19 1307.44 1322.69 1327.24 1335.23 1369.57 1394.44 1407.04 1426.96 1432.75 1434.70 1449.79 1453.48 1460.64 1461.15 1469.28 1500.25 1510.52 1543.51 1582.95 1587.13 1592.76 1620.24 1650.53 1676.90 1700.24 1706.17 1708.89 1751.14 1778.62 1799.60 1817.76 1863.50 1875.48 1881.76 1898.76 1914.02 1937.98 1942.58 1959.17 1971.61 2031.75 2045.52 2075.38 2112.91 2125.63 2129.07 2132.18 2150.51 2156.23 2175.93 2182.80 2336.20 2341.20 2359.45 2360.15 2376.90 2482.50 3392.90 4350.45 4356.37 4416.30 4428.89 4436.37 4478.04 4510.61 4549.74 4560.83 4566.67 4570.62 4573.50 4584.54 4586.08 4588.62 4595.82 4601.95 4603.11 4622.52 0.356632 0.383640 0.384585 0.294991 -6278.457350 -6278.430342 -6278.429398 -6278.518991 240.738 100.200 188.565 0.000 0.000 0.000 0.889 2.981 44.533 0.889 2.981 36.698 238.960 94.238 107.334 1 0.593 1.986 6.921 2 0.593 1.985 6.321 3 0.593 1.984 6.026 4 0.593 1.984 5.901 5 0.594 1.981 5.320 6 0.595 1.978 4.846 7 0.596 1.974 4.530 8 0.598 1.970 4.258 9 0.598 1.969 4.166 10 0.599 1.965 3.981 11 0.601 1.958 3.724 12 0.602 1.955 3.606 13 0.608 1.936 3.160 14 0.619 1.901 2.653 15 0.622 1.889 2.525 16 0.627 1.875 2.393 17 0.634 1.853 2.223 18 0.639 1.835 2.103 19 0.646 1.814 1.978 20 0.649 1.804 1.923 21 0.653 1.792 1.864 22 0.660 1.769 1.759 23 0.676 1.722 1.574 24 0.685 1.696 1.487 25 0.696 1.663 1.387 26 0.701 1.650 1.351 27 0.713 1.616 1.260 28 0.755 1.498 1.012 29 0.762 1.481 0.982 30 0.770 1.458 0.943 31 0.784 1.424 0.887 32 0.786 1.417 0.877 33 0.794 1.397 0.847 34 0.798 1.389 0.835 35 0.831 1.306 0.725 36 0.847 1.270 0.681 37 0.851 1.259 0.669 38 0.862 1.235 0.642 39 0.913 1.123 0.528 40 0.923 1.103 0.510 41 0.938 1.071 0.482 42 0.944 1.060 0.473 0.225229e+29 28.352624 65.284329 0.217375e+13 12.337209 28.407474 0.100000e+01 0.000000 0.000000 0.443375e+09 8.646771 19.909926 0.233692e+08 7.368644 16.966929 ./ancestor::cml:module[@dictRef='cc:finalization']/cml:molecule[@id='mol9999'] 1.6664 1.5034 -4.1528 4.7204 -185.2530 -188.9244 -203.3988 11.6783 3.5266 -12.4304 7.2724 3.6010 -10.8734 11.6783 3.5266 -12.4304 104.0732 49.7214 25.6703 96.9924 -68.5840 -47.5966 155.3693 -42.1256 -8.2831 20.5027 -8622.9460 -5759.1775 -2067.7641 168.3907 311.2960 71.0406 -225.3287 217.9614 -105.7238 -2472.4617 -2207.6138 -1390.8027 -151.1663 176.1448 136.9410 (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A) (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(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 -6278.8139823 4.748E-9 4.281E-6 0.3566319 0.3836403 -6278.430342 -6278.4293978 -6278.5189909 2.6707054,6.6301241,-9.3008295,-8.3438893,4.6350341,7.6580828 C01 [X(C22H19Br2N1O3)] -0.5513165 0.804322 1.5805498 -0.1957555 0.0273495 0.2381151 -0.0071161 -0.0589729 -0.1366163 0.1578493 -0.2184932 -0.5717115 -0.7085615 -0.2438254 0.150784 -0.1814427 -0.0841642 -0.0302708 0.2690801 0.021465 -0.188767 -1.2341433 0.4676805 0.5595779 0.3632104 -0.6890302 -0.1374935 0.7477466 -0.3673109 -1.532129 -1.320964 0.2556112 -0.6770544 0.3337449 -0.555459 0.2211001 -0.3338008 0.0243597 -1.4675736 -2.8139132 -0.3568818 0.5910986 -0.233766 -0.7211218 -0.0920022 0.303422 -0.1286988 -0.4188676 -0.4068868 -0.0671646 0.0444271 -0.0236612 -0.4023549 0.0311048 0.0700991 0.161358 -0.4907718 0.5555546 -0.0900651 0.105587 0.0085065 0.383277 0.0280308 0.6069078 -0.0186183 0.477448 -0.1498487 -0.1830595 -0.0337718 -0.6374188 -0.0806101 -0.3093272 -0.0118555 -0.2666781 -0.0240244 -0.9504257 0.3415514 -0.2892135 0.7422288 -0.212429 0.2745508 -0.2102344 0.2340059 -0.1217204 -0.0279656 0.0676347 0.0512177 0.0195046 0.0097705 -0.0048631 -0.0281612 -0.0743406 -0.0183614 -0.0157276 -0.0245595 0.0614456 0.0203154 0.0537237 0.0120609 -0.0114126 0.0733107 0.0306471 0.1194134 0.2941335 0.2392958 0.1570786 -0.0625307 0.0198272 -0.0829731 -0.071363 -0.3708738 2.3257538 -0.7837481 0.5076698 -0.7956385 0.6110259 -0.1279108 -0.4351002 0.3584913 2.3795972 0.8629019 0.1855158 -0.5538993 0.1929715 -0.0113631 0.2720653 -0.5219406 0.2878513 0.9204089 1.0226228 -0.3289985 -0.4651326 -0.2118155 0.7965676 0.020401 -0.2230269 -0.01403 0.6178289 0.2208442 -0.0679226 0.1480048 0.0720933 0.2154474 -0.0775234 0.0755565 -0.0356431 -0.1551783 0.1151107 0.1548697 -0.0856402 0.0335225 0.0327696 -0.0223641 -0.0460491 -0.1309883 0.2926732 -0.3223228 0.0703268 -0.0048958 -0.4609406 -0.3419149 0.0789328 -0.012526 0.0688119 -0.146938 -0.1855531 0.0621727 0.0272814 0.102302 -0.2771254 0.0287572 0.0012101 0.0059236 -0.1726432 1.8605757 0.6343911 -0.2401885 1.0061479 0.6430759 -0.1799843 0.0780275 -0.0856208 0.0731946 0.1110838 0.0777602 0.0061217 -0.0448296 0.1777981 -0.0535864 0.0125644 -0.0105775 -0.1620095 -0.4031607 -0.207064 0.0816169 0.0784666 -0.0057803 0.0077565 0.0557976 0.0136948 -0.1857084 1.7967506 -0.1596623 -0.5264736 -0.6230911 0.107244 0.2417968 -0.5522227 0.1477891 0.4491233 -0.2261748 -0.0351342 0.0194816 0.1970831 -0.162499 -0.0011899 0.2751431 -0.0030102 -0.2022068 -0.3736806 0.0196469 0.1219778 -0.0510757 -0.1307319 0.0547372 -0.0138797 0.1227552 -0.0091262 0.1564381 -0.0070496 0.0333022 -0.0581222 -0.1254346 0.1394338 -0.0060208 0.1189738 0.0582695 0.0835004 -0.0569718 -0.0014428 -0.0627344 -0.1588072 0.0818412 0.0557153 0.0747589 0.0559481 -0.1108754 -0.0670826 -0.0304135 -0.0743396 -0.1468148 0.0374484 -0.0331704 0.0513194 -0.1811362 0.0266875 -0.0436421 -0.0212394 0.0006101 0.0663708 -0.0634606 0.0255704 -0.0516893 -0.007467 -0.023961 0.0497691 0.0254856 -0.0070623 0.1269275 0.0394587 -0.0168893 0.0378664 -0.015248 -0.0078283 0.0832093 -0.0907713 0.0641574 -0.039542 0.1063181 -0.0658453 0.1460022 0.0050966 0.0296162 0.0075646 0.0860383 0.0505655 0.0273242 -0.0875207 0.1020884 -0.0615344 0.011336 -0.0429851 -0.1790026 -0.0572174 -0.1366366 -0.0543915 -0.0461218 -0.0664881 -0.0542775 0.0051877 -0.0398183 0.1550768 -0.0625118 0.111641 -0.0113799 0.0351183 -0.0851088 0.0518773 -0.0208704 0.0031516 -0.0974169 -0.0772087 -0.0695552 -0.0858845 -0.1080189 -0.0465952 -0.1352574 0.0336269 0.0107352 -0.0215754 0.1063906 -0.0713752 -0.0027431 0.108087 0.1197738 0.0667361 -0.0260472 0.0613648 -0.0447321 -0.0031657 -0.0130352 0.1574141 -0.0546001 0.0618532 -0.0231987 0.0472703 0.0161001 0.0125286 0.0935463 -0.0092995 0.0087967 0.0103012 -0.0316583 0.0195219 0.0843519 0.0289604 0.0362216 0.0007662 0.0659724 0.146042 -0.0030888 -0.0173707 -0.0007242 0.169685 -0.00294 -0.0837267 0.0000184 -0.0964633 0.0418611 0.0051552 -0.0087653 -0.010158 0.1870581 -0.0587916 0.0846283 -0.0116281 0.0817775 0.060124 0.0142802 -0.024417 0.0047749 0.174566 0.1247035 -0.0103303 -0.0041835 -0.0041806 -0.0491458 0.0242768 -0.0025204 0.0307929 0.1881547 -0.0182021 0.0051855 -0.0575288 -0.0032697 0.1729885 -0.0505557 -0.0875272 -0.0435427 0.1201534 0.1233933 0.0189151 0.0112847 0.0200515 0.1565331 -0.0774515 0.0032108 -0.0997269 -0.0134943 0.0920843 0.0036634 -0.0069218 0.0081824 0.1267414 -0.1215885 0.0169128 -0.1049197 -0.045927 -0.0540162 -0.0106516 -0.0733216 0.0489449 0.1978783 -0.0195969 -0.0852977 -0.0297633 0.0604333 -0.052845 0.0548613 0.0632895 0.097791 0.1505295 -0.0877047 0.022329 -0.0822754 0.1067426 491.4334923|12.7455891|383.781597|-7.5293434|17.5638927|363.6007122 0.000000121 -0.000001731 -0.000002275 0.000001968 0.000004403 -0.000001442 -0.000001992 -0.000001456 -0.000004711 0.000000520 0.000000022 -0.000002159 -0.000007700 -0.000000130 0.000007065 0.000002366 -0.000005950 -0.000004374 0.000004609 0.000005833 -0.000020701 0.000000848 0.000001362 0.000015600 0.000008241 -0.000003322 -0.000003815 -0.000000864 0.000001834 -0.000003659 0.000000417 0.000002398 -0.000001892 -0.000005787 -0.000007262 -0.000011800 0.000004033 0.000000851 0.000001221 0.000002783 0.000007423 0.000004784 -0.000001587 -0.000006192 -0.000000371 0.000003595 0.000000436 0.000002040 -0.000000420 -0.000004645 0.000003806 -0.000002009 -0.000002691 -0.000000020 -0.000000274 -0.000007489 0.000003109 -0.000001872 -0.000001902 0.000003831 -0.000002040 -0.000002285 0.000004067 -0.000005948 -0.000004463 0.000003729 0.000002945 -0.000000485 0.000000617 -0.000001977 0.000000026 0.000002055 -0.000005429 0.000001686 0.000004639 -0.000004380 0.000005303 0.000002814 -0.000000311 0.000000457 0.000001826 -0.000002371 0.000004667 0.000005604 0.000002230 0.000000395 -0.000001302 -0.000001842 0.000006143 -0.000002783 0.000004364 -0.000000940 -0.000005202 0.000003923 -0.000004149 -0.000004487 0.000005225 -0.000001461 -0.000004868 0.000006170 0.000004063 -0.000005379 0.000005642 0.000001803 -0.000003735 0.000003292 0.000001848 -0.000004807 0.000000319 0.000004837 -0.000001136 0.000002319 -0.000001539 -0.000002118 -0.000000441 -0.000002043 0.000002701 -0.000001013 -0.000004222 0.000001125 -0.000002781 -0.000004717 0.000004240 -0.000003689 -0.000003107 0.000006267 -0.000001612 0.000002969 0.000002840 -0.000003473 0.000000221 0.000003687 -0.000000912 0.000004512 0.000002044 -0.000002497 0.000003151 0.000002915 -0.000002708 0.000005537 0.000000413 486.0482999999997 AuxInfo=1/0/N:7;8;9;10;11;12;13;14;15;16;17;18;19;20;21;22;23;24;25;26;27;28;1;2;6;3;4;5;29;30;31;32;33;34;35;36;37;38;39;40;41;42;43;44;45;46;47/rA:47nBr0Br0O0O0O0N0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:-2.0968,.3129,-1.9983;-4.4222,.3775,.2253;2.2815,1.5969,.0201;2.6051,1.5162,2.2514;1.4767,-3.3553,.11;4.2998,1.8747,-2.5991;-.0556,3.4757,.7135;-.5199,2.0997,.2825;.4897,2.2351,1.4299;.8146,4.2579,-.2517;-.9678,4.3632,1.5395;-1.8742,1.6002,.5695;1.8797,1.7563,1.3094;-2.6388,.8859,-.256;3.6122,1.0952,-.1933;3.6884,-.4228,-.0665;3.9823,1.5416,-1.5432;2.5209,-1.1781,-.0655;4.9354,-1.0388,.0509;2.6067,-2.5598,.0949;5.0036,-2.4255,.1676;3.8412,-3.1942,.1988;.3174,-2.8621,.704;.3459,-2.2702,1.9666;-.8786,-3.0367,.0169;-.8493,-1.8398,2.5383;-2.0687,-2.6092,.6042;-2.0583,-2.0083,1.8619;-.0833,1.7599,-.6472;.1107,2.0856,2.4333;.1774,4.8902,-.8777;1.4024,3.617,-.9069;1.4994,4.9118,.2981;-1.6803,4.8783,.8874;-.3741,5.1228,2.0571;-1.5322,3.8119,2.2928;-2.3022,1.8488,1.5347;4.303,1.5596,.5162;1.5532,-.7064,-.1656;5.841,-.4423,.0553;5.9681,-2.9118,.2577;3.8784,-4.2707,.3157;1.2884,-2.143,2.4857;-.8653,-3.493,-.9658;-.8328,-1.3752,3.5181;-3.0021,-2.7359,.0683;-2.9839,-1.667,2.3095; Gaussian 16 11-May-2023 Gaussian 16 3-Jul-2019 EM64L-G16RevC.01 135 C1[X(C22H19Br2NO3)] 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 0 486.0482999999997 AuxInfo=1/0/N:7;8;9;10;11;12;13;14;15;16;17;18;19;20;21;22;23;24;25;26;27;28;1;2;6;3;4;5;29;30;31;32;33;34;35;36;37;38;39;40;41;42;43;44;45;46;47/rA:47nBr0Br0O0O0O0N0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:-2.0968,.3129,-1.9983;-4.4222,.3775,.2253;2.2815,1.5969,.0201;2.6051,1.5162,2.2514;1.4767,-3.3553,.11;4.2998,1.8747,-2.5991;-.0556,3.4757,.7135;-.5199,2.0997,.2825;.4897,2.2351,1.4299;.8146,4.2579,-.2517;-.9678,4.3632,1.5395;-1.8742,1.6002,.5695;1.8797,1.7563,1.3094;-2.6388,.8859,-.256;3.6122,1.0952,-.1933;3.6884,-.4228,-.0665;3.9823,1.5416,-1.5432;2.5209,-1.1781,-.0655;4.9354,-1.0388,.0509;2.6067,-2.5598,.0949;5.0036,-2.4255,.1676;3.8412,-3.1942,.1988;.3174,-2.8621,.704;.3459,-2.2702,1.9666;-.8786,-3.0367,.0169;-.8493,-1.8398,2.5383;-2.0687,-2.6092,.6042;-2.0583,-2.0083,1.8619;-.0833,1.7599,-.6472;.1107,2.0856,2.4333;.1774,4.8902,-.8777;1.4024,3.617,-.9069;1.4994,4.9118,.2981;-1.6803,4.8783,.8874;-.3741,5.1228,2.0571;-1.5322,3.8119,2.2928;-2.3022,1.8488,1.5347;4.303,1.5596,.5162;1.5532,-.7064,-.1656;5.841,-.4423,.0553;5.9681,-2.9118,.2577;3.8784,-4.2707,.3157;1.2884,-2.143,2.4857;-.8653,-3.493,-.9658;-.8328,-1.3752,3.5181;-3.0021,-2.7359,.0683;-2.9839,-1.667,2.3095; oldchk=/home/valentin/Almacen/Insecticides/G3/Deltamethrin-trans/gaussian/octan #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 Deltamethrin-trans/ CONF1 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 79 79 16 16 16 14 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 78.9183361 78.9183361 15.9949146 15.9949146 15.9949146 14.0030740 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 3 3 0 0 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 24.5000000 24.5000000 5.6000000 5.6000000 5.6000000 4.5500000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 (Enter /usr/local/gaussian/gaussian16/g16/l101.exe) 6-311+G(d,p) (5D, 7F) 0.10000e-02 0.10000e-05 F 814 A 782 A 782 1276 814 126 126 3739.3427518501 47 47 47 1.00e+00 60 F IExCor= 402 DFT=T Ex+Corr=B3LYP ExCW=0 ScaHFX= 0.200000 ScaDFX= 0.800000 0.720000 1.000000 0.810000 ScalE2= 1.000000 1.000000 IRadAn= 5 IRanWt= -1 IRanGd= 0 ICorTp=0 IEmpDi=131 Grimme-D3 -0.0622465318 PCM SMD-Coulomb. Total charges None On-the-fly selection n-Octanol 9.862900 2.043470 0.000000 3.218085 0.000000 4.989203 6.816817 0.000000 6.451007 7.401643 2.256096 0.000000 5.538120 6.981668 5.017990 5.439756 0.000000 6.611785 9.289280 3.318154 5.150455 6.531624 0.000000 4.639341 5.376279 3.077847 3.644718 7.026751 5.701338 0.000000 3.298706 4.265872 2.858244 3.739293 5.811517 5.619825 1.514786 0.000000 4.705073 5.387825 2.367659 2.380425 5.828341 5.556902 1.532880 1.534339 0.000000 5.204777 6.535196 3.050768 4.121684 7.650560 4.830796 1.516765 2.593015 2.650493 0.000000 5.495115 5.435672 4.529870 4.623574 8.221634 7.146171 1.517287 2.627603 2.581687 2.529093 0.000000 2.881055 2.847110 4.191875 4.785335 5.999749 6.944952 2.616347 1.471752 2.594472 3.868702 3.065402 0.000000 5.369987 6.541432 1.359858 1.212933 5.265935 4.598525 2.656460 2.632553 1.475091 3.135195 3.867438 3.829273 0.000000 1.912588 1.915826 4.979146 5.846611 5.921121 7.389992 3.784173 2.500684 3.801370 4.826639 4.255361 1.332810 4.860579 0.000000 6.038370 8.077189 1.437949 2.677332 4.945691 2.620656 4.465584 4.278890 3.699199 4.222873 5.887147 5.562072 2.386747 6.254818 0.000000 6.143389 8.155160 2.462862 3.210280 3.677301 3.473638 5.461140 4.918750 4.419877 5.495667 6.867690 5.953063 3.148471 6.463923 1.525226 0.000000 6.218731 8.667108 2.310739 4.036856 5.743808 1.151776 5.013819 4.890228 4.638854 4.368228 6.478321 6.226204 3.550246 6.776952 1.469129 2.475043 0.000000 5.223215 7.121182 2.786551 3.554503 2.421124 4.347663 5.376156 4.484587 4.244084 5.700563 6.741918 5.238243 3.303373 5.560545 2.524865 1.390439 3.422805 0.000000 7.448298 9.465714 3.740351 4.098848 4.163232 3.989268 6.762342 6.297871 5.690702 6.717706 8.139092 7.321403 4.328216 7.820941 2.522785 1.395767 3.179209 2.421233 0.000000 5.895519 7.619085 4.170074 4.611393 1.382056 5.457892 6.625597 5.614479 5.408872 7.057900 7.924213 6.132695 4.542349 6.285886 3.801770 2.400606 4.625707 1.393697 2.781743 0.000000 7.912342 9.833863 4.859088 5.062837 3.647856 5.161544 7.792155 7.141380 6.609847 7.898869 9.144745 7.979439 5.343223 8.339753 3.802890 2.407368 4.439317 2.788178 1.393327 2.401698 0.000000 7.237863 9.002261 5.041652 5.284748 2.371681 5.807895 7.741891 6.859372 6.498084 8.055867 9.057468 7.469198 5.439481 7.671034 4.313352 2.788210 5.047940 2.424372 2.421720 1.391789 1.393863 0.000000 4.817810 5.760828 4.920160 5.176639 1.392894 7.014754 6.348755 5.049578 5.151515 7.201044 7.386122 4.973241 4.912952 4.869101 5.226968 4.231722 6.154208 2.878176 5.007694 2.388231 4.736969 3.575324 0.000000 5.325391 5.725153 4.742314 4.418347 2.429579 7.325134 5.894649 4.762576 4.539441 6.910617 6.775736 4.675572 4.358581 4.879518 5.163269 4.326424 6.330195 3.170619 5.123380 2.949291 4.995379 4.024340 1.394699 0.000000 4.094501 4.925123 5.608606 6.152898 2.378569 7.601346 6.601053 5.155789 5.626809 7.493359 7.555482 4.774684 5.679076 4.308098 6.106061 5.262769 6.857364 3.875340 6.147774 3.518679 5.915767 4.725946 1.390313 2.426581 0.000000 5.174114 4.799164 5.287185 4.824718 3.688306 8.167168 5.675784 4.551623 4.430164 6.909029 6.284036 4.093947 4.678659 4.294177 5.998397 5.420630 7.171961 4.310039 6.347540 4.293369 6.341870 5.413696 2.402244 1.393105 2.791225 0.000000 3.913173 3.821337 6.079240 6.448007 3.656617 8.421642 6.410207 4.967566 5.540293 7.496894 7.120520 4.214080 5.928345 3.644288 6.828718 6.194710 7.645654 4.854054 7.199288 4.703385 7.088143 5.952628 2.401523 2.793127 1.394304 2.412396 0.000000 4.504580 3.736165 5.934964 5.858410 4.168841 8.683464 5.950156 4.662371 4.968470 7.210167 6.472255 3.837462 5.475913 3.633078 6.783048 6.265490 7.790093 5.037210 7.289074 5.018834 7.274203 6.243034 2.777249 2.420683 2.419325 1.395527 1.393880 0.000000 2.823721 4.636638 2.462596 3.960911 5.401205 4.799365 2.190018 1.081854 2.206533 2.683756 3.513049 2.170984 2.771596 2.729074 3.782094 4.396260 4.168918 3.968914 5.788523 5.142707 6.637636 6.376559 4.832127 4.822680 4.907267 4.867502 4.959592 4.939261 0.000000 5.258814 5.323580 3.282556 2.564959 6.071830 6.551138 2.217682 2.241452 1.082968 3.524756 2.673913 2.765736 2.121551 4.028864 4.487780 5.033941 5.576562 4.764962 6.222117 5.768737 7.030174 6.839939 5.245233 4.387012 5.749398 4.042418 5.489681 4.668100 3.103822 0.000000 5.232557 6.537446 4.009936 5.202763 8.405543 5.389794 2.141763 3.101478 3.531637 1.094374 2.726267 4.138559 4.183598 4.934843 5.164079 6.419741 5.112102 6.555599 7.658532 7.896264 8.826350 8.940881 7.913271 7.706505 8.046850 7.616880 7.967631 7.752062 3.149583 4.339801 0.000000 4.934819 6.760332 2.390228 3.979265 7.046513 3.780710 2.184341 2.722452 2.864164 1.088870 3.487073 4.121040 2.932890 4.920795 3.428065 4.717212 3.371711 4.995178 5.922454 6.372399 7.115843 7.318631 6.763946 6.635671 7.094236 6.834935 7.286839 7.161501 2.392368 3.894993 1.767043 0.000000 6.273425 7.458588 3.417347 4.070421 8.269362 5.045778 2.157079 3.461999 3.076591 1.094903 2.815850 4.735096 3.335373 5.799990 4.389989 5.777820 4.573198 6.185705 6.875835 7.556041 8.132253 8.438086 7.873748 7.462979 8.301397 7.491301 8.330145 7.936710 3.651436 3.804677 1.769307 1.771433 0.000000 5.416966 5.311642 5.216930 5.615018 8.852314 7.545746 2.153407 3.071310 3.462599 2.811895 1.094655 3.299126 4.753776 4.262054 6.594677 7.604880 7.007647 7.432230 8.915070 8.621634 9.926629 9.804356 7.996094 7.508067 8.002959 6.967684 7.502902 6.965498 3.824882 3.660193 2.562650 3.783314 3.234005 0.000000 6.522908 6.500762 4.861480 4.681943 8.893522 7.353548 2.149301 3.508433 3.078634 2.737015 1.094127 4.107448 4.119675 5.331970 6.097201 7.194910 6.690706 7.251717 8.377357 8.471022 9.458667 9.507526 8.128137 7.428497 8.425764 6.995327 8.047714 7.329875 4.325097 3.098588 2.995223 3.769409 2.578474 1.770297 0.000000 5.565570 4.941887 4.961477 4.731680 8.073869 7.854582 2.188048 2.828037 2.705330 3.490047 1.090809 2.824583 4.102867 4.035150 6.326562 7.124127 7.090775 6.847592 8.389547 7.909540 9.281061 9.074294 7.105441 6.373850 7.246406 5.698117 6.661084 5.859861 3.867004 2.387301 3.760028 4.346003 3.791960 1.770355 1.764913 0.000000 3.857943 2.893767 4.834081 4.970458 6.587313 7.789393 2.892828 2.192691 2.820439 4.325426 2.846588 1.084752 4.188985 2.060855 6.207542 6.603855 7.004528 5.914846 7.932342 6.753284 8.573969 8.059600 5.453850 4.915813 5.310220 4.089470 4.560060 3.878674 3.113269 2.585679 4.606406 4.776206 5.036212 3.159674 3.835238 2.240855 0.000000 6.988119 8.809681 2.081757 2.428110 5.684139 3.131123 4.765263 4.858610 3.978997 4.476586 6.057114 6.177510 2.557368 7.017050 1.093740 2.155709 2.084234 3.317949 2.714379 4.474864 4.061203 4.786634 5.955800 5.694640 6.944347 6.495439 7.614804 7.416631 4.542369 4.639736 5.482361 3.830351 4.375567 6.852112 6.078326 6.502189 6.689499 0.000000 4.209526 6.085458 2.422765 3.447940 2.664382 4.486305 4.566265 3.517463 3.511292 5.019678 5.913016 4.196151 2.889130 4.485177 2.736010 2.156189 3.584917 1.081215 3.405334 2.147825 3.869306 3.399535 2.632626 2.906770 3.373059 3.790509 4.163165 4.341514 2.998787 4.078020 5.807038 4.389053 5.637572 6.538563 6.529448 5.998192 4.927898 3.627753 0.000000 8.233863 10.297313 4.102356 4.373803 5.247537 3.845682 7.110152 6.853787 6.139627 6.888521 8.464987 7.997543 4.700939 8.588913 2.719127 2.156198 3.153635 3.402801 1.084475 3.866058 2.155746 3.404815 6.065261 6.098393 7.203210 7.271805 8.219575 8.253205 6.359326 6.699380 7.834697 6.091403 6.897524 9.250493 8.579354 8.801651 8.587786 2.566223 4.301632 0.000000 8.973933 10.898598 5.828863 5.906999 4.515736 5.818511 8.791686 8.198194 7.607792 8.844443 10.132941 9.053049 6.293883 9.421619 4.670170 3.390818 5.197998 3.872157 2.148887 3.383715 1.083980 2.146410 5.668609 5.911098 6.852134 7.268288 8.050036 8.234860 7.698319 8.001039 9.782297 8.051579 9.010073 10.935316 10.393112 10.276437 9.627708 4.778384 4.953272 2.481075 0.000000 7.878294 9.513884 6.088155 6.233509 2.578503 6.814625 8.697215 7.741344 7.419608 9.080013 9.976379 8.223421 6.427069 8.330211 5.396581 3.871490 6.103178 3.398895 3.410646 2.143136 2.166213 1.083506 3.849192 4.382437 4.923581 5.761997 6.181636 6.538596 7.279500 7.686476 9.952096 8.357119 9.485746 10.720553 10.457228 9.925331 8.782614 5.849140 4.282855 4.310029 2.493346 0.000000 6.131682 6.638771 4.588299 3.895998 2.673740 7.145975 6.042965 5.111275 4.573933 6.977833 6.951053 5.261725 4.115636 5.666966 4.802431 3.902900 6.088144 2.993175 4.521953 2.761834 4.388136 3.584858 2.152737 1.083450 3.404331 2.159741 3.876531 3.406954 5.189416 4.389852 7.874884 6.685871 7.389296 7.788888 7.465904 6.592004 5.452654 5.164887 3.027146 5.433787 5.239751 3.992978 0.000000 4.131286 5.389882 6.064739 6.891020 2.580918 7.626069 7.213761 5.740747 6.355071 7.962945 8.246678 5.414431 6.345618 4.777474 6.457232 5.565119 7.012824 4.199504 6.379983 3.748422 6.071858 4.857646 2.141283 3.400196 1.083589 3.874583 2.166686 3.409338 5.320358 6.605100 8.448279 7.463100 8.822148 8.612608 9.143869 8.026532 6.070612 7.378054 3.775539 7.438020 6.966379 4.974947 4.286455 0.000000 5.905798 5.176705 5.546955 4.667339 4.568343 8.621181 5.656975 4.758419 4.375383 6.975481 6.071456 4.316478 4.694975 4.755845 6.295679 5.847862 7.570339 4.912140 6.738458 4.995243 6.811197 6.014355 3.384201 2.144241 3.875711 1.084494 3.397193 2.155355 5.266978 3.747523 7.720091 7.035560 7.438733 6.837025 6.675974 5.375575 4.060419 6.633321 4.439635 7.576409 7.697052 6.390228 2.480936 4.959023 0.000000 3.792898 3.425568 6.833174 7.367972 4.521594 9.038241 6.905243 5.439765 6.225587 7.973905 7.530006 4.508403 6.749265 3.654424 7.648172 7.080331 8.347249 5.740104 8.116887 5.611656 8.012296 6.859867 3.382131 3.876813 2.145295 3.396829 1.083715 2.153414 5.407791 6.207240 8.316418 7.791688 8.877183 7.771367 8.521750 7.069884 4.864148 8.486232 4.992463 9.135760 8.973970 7.053976 4.960196 2.491721 4.296324 0.000000 4.823324 3.254641 6.604471 6.432168 5.252109 9.470421 6.129406 4.936465 5.297736 7.489501 6.404790 3.864452 6.031082 3.635670 7.576394 7.191120 8.582919 6.015222 8.258958 6.079196 8.304353 7.305385 3.860556 3.401346 3.400612 2.153749 2.152474 1.083335 5.375841 4.865571 7.946692 7.583239 8.211376 6.823671 7.278428 5.668021 3.664133 8.168548 5.256826 9.190249 9.268127 7.605633 4.302325 4.307033 2.484543 2.483099 0.000000 C22H19Br2NO3 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 0 486.0482999999997 AuxInfo=1/0/N:7;8;9;10;11;12;13;14;15;16;17;18;19;20;21;22;23;24;25;26;27;28;1;2;6;3;4;5;29;30;31;32;33;34;35;36;37;38;39;40;41;42;43;44;45;46;47/rA:47nBr0Br0O0O0O0N0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:2.1082,-.0131,2.0817;4.3943,-.4747,-.1357;-2.034,1.7914,-.0345;-2.3869,1.6011,-2.2547;-2.0144,-3.2191,.2388;-3.9595,2.5708,2.553;.5616,3.2257,-.8581;.809,1.8289,-.3268;-.1776,2.0373,-1.4833;-.1665,4.2024,.0456;1.5937,3.8972,-1.7447;2.0658,1.1039,-.5737;-1.6242,1.7922,-1.3311;2.717,.3403,.3033;-3.4247,1.5211,.212;-3.7385,.0286,.1961;-3.708,2.1165,1.5249;-2.7036,-.8982,.2528;-5.0675,-.3912,.1213;-3.006,-2.2575,.1934;-5.3529,-1.755,.1059;-4.3253,-2.6964,.1333;-.7978,-2.9579,-.3871;-.7452,-2.4618,-1.6895;.3625,-3.2675,.3135;.4973,-2.2665,-2.2885;1.5993,-3.0753,-.3008;1.6713,-2.5729,-1.599;.3333,1.6299,.6243;.164,1.758,-2.4723;.5675,4.7707,.6252;-.8412,3.7106,.7445;-.7457,4.914,-.5519;2.384,4.3402,-1.1303;1.1213,4.7009,-2.3175;2.0579,3.2113,-2.4545;2.5184,1.2118,-1.5536;-4.041,2.0354,-.531;-1.6732,-.578,.3203;-5.8688,.3379,.0714;-6.3824,-2.0894,.0494;-4.5316,-3.7594,.0952;-1.6609,-2.2265,-2.2185;.2871,-3.6437,1.3269;.5446,-1.8772,-3.2996;2.5063,-3.3076,.2449;2.6347,-2.4141,-2.0683; 0.1758971 0.0986087 0.0795197 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= 782 RedAO= T EigKep= 1.45D-06 NBF= 782 NBsUse= 779 1.00D-06 EigRej= 9.76D-07 NBFU= 779 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= 793 793 793 793 793 MxSgAt= 47 MxSgA2= 47. 1 Closed 1 1 1 -6278.81398229664 -6278.81398230 1 6.267809308312e+03 -2.241416349715e+04 6.128261361457e+03 Using DIIS extrapolation, IDIIS= 1040. NGot= 4246732800 LenX= 4245379432 LenY= 4244716022 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. PT1834S 2023-05-11T08:06:44.000 -482.84533 -482.84440 -62.49803 -62.49713 -56.31853 -56.31765 -56.31444 -56.31434 -56.31351 -56.31345 -19.19433 -19.17114 -19.13337 -14.33629 -10.32671 -10.29399 -10.27691 -10.24809 -10.24065 -10.23555 -10.21239 -10.20818 -10.20450 -10.20388 -10.20325 -10.18659 -10.18600 -10.18324 -10.18198 -10.17981 -10.17871 -10.17867 -10.17704 -10.17369 -10.16406 -10.16113 -8.70768 -8.70677 -6.53948 -6.53864 -6.52589 -6.52574 -6.52491 -6.52483 -2.65033 -2.64946 -2.64641 -2.64633 -2.64551 -2.64547 -2.63553 -2.63552 -2.63457 -2.63456 -1.13593 -1.08838 -1.04763 -0.93661 -0.90310 -0.88024 -0.86568 -0.86071 -0.81670 -0.78811 -0.77113 -0.76508 -0.75796 -0.75497 -0.74032 -0.72874 -0.69598 -0.67284 -0.64659 -0.63017 -0.61713 -0.60260 -0.59379 -0.58174 -0.56418 -0.55904 -0.53986 -0.52062 -0.50707 -0.49663 -0.49479 -0.48904 -0.48663 -0.48059 -0.47792 -0.46194 -0.45660 -0.44697 -0.44023 -0.43597 -0.43019 -0.42129 -0.41981 -0.41520 -0.40548 -0.40179 -0.39695 -0.39504 -0.38659 -0.38533 -0.38343 -0.37686 -0.37504 -0.37110 -0.36761 -0.36424 -0.36058 -0.35088 -0.34766 -0.33629 -0.33335 -0.32989 -0.31896 -0.30917 -0.30588 -0.29590 -0.28847 -0.27240 -0.26290 -0.26181 -0.24389 -0.23325 -0.05066 -0.04071 -0.03582 -0.02686 -0.01972 -0.01385 -0.00948 -0.00648 -0.00297 0.00245 0.00672 0.01380 0.01521 0.01783 0.02585 0.02703 0.03139 0.03436 0.03810 0.04219 0.04514 0.04894 0.05194 0.05252 0.05607 0.05970 0.06164 0.06416 0.06925 0.07164 0.07763 0.07820 0.07959 0.08237 0.08631 0.08913 0.08922 0.09427 0.09515 0.10206 0.10329 0.10581 0.10682 0.11137 0.11264 0.11422 0.11761 0.12032 0.12270 0.12443 0.12953 0.13346 0.13502 0.13641 0.14026 0.14240 0.14454 0.14870 0.14979 0.15139 0.15517 0.15815 0.16095 0.16403 0.16605 0.16832 0.16955 0.17126 0.17390 0.18000 0.18076 0.18431 0.18522 0.18684 0.18974 0.19109 0.19370 0.19783 0.20098 0.20229 0.20386 0.20483 0.20822 0.21126 0.21340 0.21522 0.21736 0.22066 0.22226 0.22361 0.22599 0.22825 0.23016 0.23328 0.23389 0.23557 0.23672 0.23975 0.24430 0.24448 0.24623 0.24902 0.25206 0.25470 0.25719 0.25939 0.26110 0.26329 0.26377 0.26578 0.26727 0.26984 0.27115 0.27444 0.27774 0.28010 0.28323 0.28472 0.28982 0.29109 0.29415 0.29670 0.29736 0.30166 0.30333 0.30644 0.31066 0.31335 0.31628 0.32136 0.32284 0.32585 0.33081 0.33433 0.33873 0.34290 0.34646 0.35029 0.35216 0.35351 0.35700 0.35927 0.36233 0.36580 0.36962 0.37177 0.37741 0.38015 0.38430 0.38768 0.39186 0.39481 0.40047 0.41027 0.41255 0.41689 0.42354 0.42821 0.43462 0.44135 0.44823 0.45175 0.46187 0.46597 0.46858 0.47686 0.48107 0.48196 0.49013 0.49299 0.50059 0.50651 0.51885 0.52251 0.52882 0.54297 0.54620 0.54832 0.55112 0.55872 0.55982 0.56110 0.56751 0.57205 0.57634 0.58027 0.58248 0.58641 0.59284 0.59515 0.60306 0.60799 0.61140 0.61959 0.62718 0.62784 0.63207 0.63423 0.63773 0.64218 0.64477 0.64710 0.65283 0.65618 0.65981 0.66160 0.66392 0.66768 0.67273 0.67716 0.68135 0.68300 0.68538 0.69147 0.69360 0.69433 0.69731 0.70397 0.70592 0.71515 0.71601 0.71856 0.72400 0.72710 0.72881 0.73236 0.73714 0.73919 0.74695 0.74927 0.75579 0.75801 0.76488 0.76677 0.77205 0.77498 0.77666 0.78157 0.78806 0.78990 0.79027 0.79863 0.80178 0.80701 0.81013 0.81334 0.81968 0.82322 0.82573 0.83082 0.83691 0.84402 0.84601 0.85185 0.86227 0.86503 0.87278 0.88390 0.88618 0.89394 0.90097 0.90651 0.91556 0.92009 0.92792 0.92951 0.93357 0.93751 0.94355 0.94708 0.95543 0.95664 0.96154 0.96414 0.97713 0.98270 0.98634 1.00037 1.00614 1.01132 1.01315 1.02124 1.03609 1.03823 1.04762 1.05092 1.05828 1.06497 1.06768 1.08065 1.08198 1.08750 1.09178 1.09967 1.10994 1.11493 1.12367 1.13178 1.13565 1.14562 1.15049 1.15364 1.16191 1.17662 1.18948 1.19583 1.20493 1.21012 1.21792 1.22666 1.26147 1.27798 1.29094 1.30440 1.31138 1.31284 1.32149 1.33605 1.34245 1.35244 1.36536 1.37169 1.38263 1.39384 1.40777 1.41497 1.42554 1.43340 1.44693 1.46140 1.46879 1.47425 1.48176 1.49184 1.50299 1.50937 1.51139 1.51965 1.52707 1.52840 1.53123 1.53715 1.54627 1.55360 1.56259 1.56564 1.57124 1.57690 1.58087 1.58282 1.59628 1.60030 1.60787 1.61194 1.61353 1.62854 1.63565 1.64422 1.65121 1.65933 1.66778 1.67142 1.67636 1.68007 1.68727 1.69369 1.69691 1.70988 1.71379 1.71810 1.72401 1.73486 1.73827 1.75104 1.76014 1.76565 1.76951 1.77187 1.78122 1.79071 1.80576 1.81050 1.81885 1.82439 1.82618 1.83966 1.84273 1.85457 1.86168 1.86464 1.88590 1.89280 1.89822 1.91329 1.91784 1.92480 1.92630 1.93185 1.94058 1.94592 1.95107 1.96046 1.96909 1.97161 1.98208 1.98450 1.99821 2.00091 2.00273 2.01466 2.01745 2.01939 2.03048 2.03629 2.04395 2.04837 2.05275 2.06160 2.07271 2.07636 2.08118 2.08611 2.09349 2.10247 2.10495 2.10880 2.11864 2.11989 2.13285 2.13700 2.15396 2.18131 2.19055 2.20536 2.20961 2.21392 2.23082 2.23836 2.24331 2.26047 2.27182 2.27793 2.28960 2.32678 2.33629 2.34287 2.34361 2.35792 2.39310 2.40318 2.41268 2.42081 2.42981 2.45048 2.45957 2.46678 2.48066 2.48528 2.48983 2.50562 2.51499 2.51854 2.52840 2.54172 2.56520 2.56953 2.60103 2.61916 2.62258 2.62625 2.64160 2.64937 2.65488 2.66713 2.66871 2.68028 2.69310 2.70751 2.71440 2.72262 2.73042 2.73089 2.73951 2.74725 2.75482 2.75801 2.76448 2.76725 2.77651 2.77972 2.78614 2.79889 2.80338 2.81015 2.81534 2.82089 2.83108 2.83921 2.84774 2.85370 2.85607 2.86002 2.87347 2.87882 2.89153 2.89647 2.90615 2.91824 2.93030 2.94176 2.94668 2.95313 2.95640 2.96645 2.97791 2.98707 3.00151 3.01118 3.01654 3.02956 3.04228 3.06215 3.08229 3.08739 3.09791 3.10784 3.11329 3.12497 3.13319 3.14687 3.15841 3.16671 3.17358 3.18708 3.20395 3.22390 3.22876 3.23600 3.26678 3.27283 3.28463 3.32899 3.35486 3.36127 3.36711 3.38005 3.40640 3.42955 3.44571 3.46325 3.53320 3.54560 3.56152 3.57438 3.59720 3.62101 3.65125 3.65346 3.68680 3.70772 3.71106 3.73173 3.76721 3.80244 3.82817 3.83956 3.85245 3.89205 3.95612 3.98254 3.99737 4.01805 4.02710 4.03853 4.07807 4.10513 4.14298 4.15023 4.16061 4.16255 4.17003 4.17717 4.19040 4.19507 4.20595 4.21366 4.22680 4.24400 4.26209 4.27096 4.31080 4.32713 4.40768 4.53302 4.55497 4.55982 4.58339 4.63180 4.84327 4.85438 5.12290 5.14397 5.16733 5.24609 5.42941 5.44298 5.66493 5.87936 5.90123 6.79821 6.81020 7.59789 7.60343 7.62011 7.65943 7.74024 7.75076 23.56094 23.59857 23.63163 23.76827 23.79800 23.86926 23.89423 23.94662 23.95761 23.96583 23.96909 23.98775 23.99627 24.01566 24.07145 24.07912 24.09227 24.10247 24.18344 24.19373 24.19888 24.35039 35.88068 48.04710 48.05889 49.93284 49.98396 50.02603 289.79145 289.79882 289.81475 289.86357 289.95557 289.968331020 .868121020 .88278 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 Br Br O O O N C C C C C C C C C C C C C C C C C C C C C C H H H H H H H H H H H H H H H H H H H -0.025388 0.066080 0.154968 -0.239075 -0.031326 -0.317562 0.380731 -0.066049 -0.170208 -0.537219 -0.523441 -0.650151 -0.534151 0.429709 0.649872 0.521769 -0.553393 0.776815 -0.484641 -0.732469 -0.250567 -0.409389 -0.425914 0.137094 -0.184264 -0.192390 -0.020167 -0.082141 0.178233 0.204402 0.163698 0.158309 0.165888 0.172490 0.170385 0.150550 0.181995 0.254967 0.193737 0.159296 0.169203 0.164885 0.176713 0.159452 0.162258 0.167291 0.159118 -0.00000 1.6664 1.5034 -4.1528 4.7204 -185.2530 -188.9244 -203.3988 11.6783 3.5266 -12.4304 7.2724 3.6010 -10.8734 11.6783 3.5266 -12.4304 104.0732 49.7214 25.6703 96.9924 -68.5840 -47.5966 155.3693 -42.1256 -8.2831 20.5027 -8622.9461 -5759.1775 -2067.7641 168.3907 311.2961 71.0406 -225.3287 217.9614 -105.7238 -2472.4617 -2207.6138 -1390.8027 -151.1663 176.1448 136.9410 (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A) (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(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-CIBELES2-310 VALENTIN 2023-05-11T00:00:00.000 0 Wavefunction Deltamethrin-trans/ CONF1 octanol 0 1 Version=EM64L-G16RevC.01 State=1-A HF=-6278.8139823 RMSD=2.120e-09 Dipole=-0.5513166,0.804322,1.58055 Quadrupole=2.6707078,6.6301225,-9.3008303,-8.3438891,4.6350367,7.6580826 PG=C01 [X(C22H19Br2N1O3)] 0 -2.0967852153 0.3129109359 -1.9983206238 0 -4.4221862761 0.3774769561 0.225282427 0 2.2815438904 1.596854282 0.0200628156 0 2.6050811238 1.516223141 2.2513833891 0 1.4766637449 -3.3553470943 0.1100235966 0 4.2997524855 1.8746779971 -2.599058301 0 -0.0556029601 3.4757023113 0.7134710762 0 -0.5198511451 2.0997345866 0.2824695951 0 0.489701923 2.2351184814 1.4299314617 0 0.8145530293 4.2579202361 -0.2516924348 0 -0.967770079 4.3632317896 1.5395483578 0 -1.8741656237 1.600236102 0.5695024268 0 1.8797077512 1.7563252685 1.3093695368 0 -2.6388494985 0.8859123518 -0.2559573919 0 3.6121515171 1.0952172922 -0.193339837 0 3.6883650722 -0.4228121971 -0.0664894501 0 3.9823478579 1.5415705664 -1.5431785951 0 2.5209332274 -1.1780745916 -0.0655481572 0 4.9353521211 -1.0387823642 0.0508519906 0 2.6067223923 -2.5598487783 0.0948623882 0 5.003558656 -2.425533578 0.1675950729 0 3.8411928976 -3.1941571411 0.1988476799 0 0.3173502848 -2.8620822227 0.7040224035 0 0.3459467648 -2.2701978692 1.966575691 0 -0.8786238797 -3.0366962933 0.0169087045 0 -0.8492957622 -1.8397947405 2.5383178012 0 -2.0687367584 -2.6092065224 0.6042482801 0 -2.0582556001 -2.008345799 1.8619279698 0 -0.0833000505 1.7599312913 -0.6472425864 0 0.1107368636 2.0855661461 2.4333454787 0 0.1774459664 4.8902274895 -0.8777411096 0 1.4023912977 3.6170035124 -0.9069093294 0 1.4993629744 4.9118454876 0.2980625801 0 -1.6803105892 4.878281589 0.8874137397 0 -0.3741298 5.1227628114 2.0570592179 0 -1.5321679223 3.8119258007 2.2927947215 0 -2.3021870517 1.8487988795 1.5347493657 0 4.3029800794 1.5595707251 0.5161667358 0 1.5532022663 -0.7063675436 -0.165624866 0 5.8410355326 -0.4422899886 0.0552549435 0 5.968140119 -2.9118251926 0.2576771013 0 3.8784336137 -4.2706967023 0.3157281954 0 1.2884016573 -2.143046586 2.4856854759 0 -0.8652853357 -3.4929920184 -0.9658330046 0 -0.8328104032 -1.3752016692 3.5181183508 0 -3.0021076325 -2.7359234535 0.0683376576 0 -2.9838752975 -1.6670095351 2.3095142109 Gaussian 16 11-May-2023 Gaussian 16 3-Jul-2019 EM64L-G16RevC.01 135 C1[X(C22H19Br2NO3)] 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 0 486.0482999999997 AuxInfo=1/0/N:7;8;9;10;11;12;13;14;15;16;17;18;19;20;21;22;23;24;25;26;27;28;1;2;6;3;4;5;29;30;31;32;33;34;35;36;37;38;39;40;41;42;43;44;45;46;47/rA:47nBr0Br0O0O0O0N0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:-2.0968,.3129,-1.9983;-4.4222,.3775,.2253;2.2815,1.5969,.0201;2.6051,1.5162,2.2514;1.4767,-3.3553,.11;4.2998,1.8747,-2.5991;-.0556,3.4757,.7135;-.5199,2.0997,.2825;.4897,2.2351,1.4299;.8146,4.2579,-.2517;-.9678,4.3632,1.5395;-1.8742,1.6002,.5695;1.8797,1.7563,1.3094;-2.6388,.8859,-.256;3.6122,1.0952,-.1933;3.6884,-.4228,-.0665;3.9823,1.5416,-1.5432;2.5209,-1.1781,-.0655;4.9354,-1.0388,.0509;2.6067,-2.5598,.0949;5.0036,-2.4255,.1676;3.8412,-3.1942,.1988;.3174,-2.8621,.704;.3459,-2.2702,1.9666;-.8786,-3.0367,.0169;-.8493,-1.8398,2.5383;-2.0687,-2.6092,.6042;-2.0583,-2.0083,1.8619;-.0833,1.7599,-.6472;.1107,2.0856,2.4333;.1774,4.8902,-.8777;1.4024,3.617,-.9069;1.4994,4.9118,.2981;-1.6803,4.8783,.8874;-.3741,5.1228,2.0571;-1.5322,3.8119,2.2928;-2.3022,1.8488,1.5347;4.303,1.5596,.5162;1.5532,-.7064,-.1656;5.841,-.4423,.0553;5.9681,-2.9118,.2577;3.8784,-4.2707,.3157;1.2884,-2.143,2.4857;-.8653,-3.493,-.9658;-.8328,-1.3752,3.5181;-3.0021,-2.7359,.0683;-2.9839,-1.667,2.3095; oldchk=/home/valentin/Almacen/Insecticides/G3/Deltamethrin-trans/gaussian/octan #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 Deltamethrin-trans/ CONF1 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 79 79 16 16 16 14 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 78.9183361 78.9183361 15.9949146 15.9949146 15.9949146 14.0030740 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 3 3 0 0 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 24.5000000 24.5000000 5.6000000 5.6000000 5.6000000 4.5500000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 (Enter /usr/local/gaussian/gaussian16/g16/l101.exe) 6-311+G(d,p) (5D, 7F) 0.10000e-02 0.10000e-05 F 814 A 782 A 782 1276 814 126 126 3739.3427518501 47 47 47 1.00e+00 60 F IExCor= 402 DFT=T Ex+Corr=B3LYP ExCW=0 ScaHFX= 0.200000 ScaDFX= 0.800000 0.720000 1.000000 0.810000 ScalE2= 1.000000 1.000000 IRadAn= 5 IRanWt= -1 IRanGd= 0 ICorTp=0 IEmpDi=131 Grimme-D3 -0.0622465318 PCM SMD-Coulomb. Total charges None On-the-fly selection n-Octanol 9.862900 2.043470 0.000000 3.218085 0.000000 4.989203 6.816817 0.000000 6.451007 7.401643 2.256096 0.000000 5.538120 6.981668 5.017990 5.439756 0.000000 6.611785 9.289280 3.318154 5.150455 6.531624 0.000000 4.639341 5.376279 3.077847 3.644718 7.026751 5.701338 0.000000 3.298706 4.265872 2.858244 3.739293 5.811517 5.619825 1.514786 0.000000 4.705073 5.387825 2.367659 2.380425 5.828341 5.556902 1.532880 1.534339 0.000000 5.204777 6.535196 3.050768 4.121684 7.650560 4.830796 1.516765 2.593015 2.650493 0.000000 5.495115 5.435672 4.529870 4.623574 8.221634 7.146171 1.517287 2.627603 2.581687 2.529093 0.000000 2.881055 2.847110 4.191875 4.785335 5.999749 6.944952 2.616347 1.471752 2.594472 3.868702 3.065402 0.000000 5.369987 6.541432 1.359858 1.212933 5.265935 4.598525 2.656460 2.632553 1.475091 3.135195 3.867438 3.829273 0.000000 1.912588 1.915826 4.979146 5.846611 5.921121 7.389992 3.784173 2.500684 3.801370 4.826639 4.255361 1.332810 4.860579 0.000000 6.038370 8.077189 1.437949 2.677332 4.945691 2.620656 4.465584 4.278890 3.699199 4.222873 5.887147 5.562072 2.386747 6.254818 0.000000 6.143389 8.155160 2.462862 3.210280 3.677301 3.473638 5.461140 4.918750 4.419877 5.495667 6.867690 5.953063 3.148471 6.463923 1.525226 0.000000 6.218731 8.667108 2.310739 4.036856 5.743808 1.151776 5.013819 4.890228 4.638854 4.368228 6.478321 6.226204 3.550246 6.776952 1.469129 2.475043 0.000000 5.223215 7.121182 2.786551 3.554503 2.421124 4.347663 5.376156 4.484587 4.244084 5.700563 6.741918 5.238243 3.303373 5.560545 2.524865 1.390439 3.422805 0.000000 7.448298 9.465714 3.740351 4.098848 4.163232 3.989268 6.762342 6.297871 5.690702 6.717706 8.139092 7.321403 4.328216 7.820941 2.522785 1.395767 3.179209 2.421233 0.000000 5.895519 7.619085 4.170074 4.611393 1.382056 5.457892 6.625597 5.614479 5.408872 7.057900 7.924213 6.132695 4.542349 6.285886 3.801770 2.400606 4.625707 1.393697 2.781743 0.000000 7.912342 9.833863 4.859088 5.062837 3.647856 5.161544 7.792155 7.141380 6.609847 7.898869 9.144745 7.979439 5.343223 8.339753 3.802890 2.407368 4.439317 2.788178 1.393327 2.401698 0.000000 7.237863 9.002261 5.041652 5.284748 2.371681 5.807895 7.741891 6.859372 6.498084 8.055867 9.057468 7.469198 5.439481 7.671034 4.313352 2.788210 5.047940 2.424372 2.421720 1.391789 1.393863 0.000000 4.817810 5.760828 4.920160 5.176639 1.392894 7.014754 6.348755 5.049578 5.151515 7.201044 7.386122 4.973241 4.912952 4.869101 5.226968 4.231722 6.154208 2.878176 5.007694 2.388231 4.736969 3.575324 0.000000 5.325391 5.725153 4.742314 4.418347 2.429579 7.325134 5.894649 4.762576 4.539441 6.910617 6.775736 4.675572 4.358581 4.879518 5.163269 4.326424 6.330195 3.170619 5.123380 2.949291 4.995379 4.024340 1.394699 0.000000 4.094501 4.925123 5.608606 6.152898 2.378569 7.601346 6.601053 5.155789 5.626809 7.493359 7.555482 4.774684 5.679076 4.308098 6.106061 5.262769 6.857364 3.875340 6.147774 3.518679 5.915767 4.725946 1.390313 2.426581 0.000000 5.174114 4.799164 5.287185 4.824718 3.688306 8.167168 5.675784 4.551623 4.430164 6.909029 6.284036 4.093947 4.678659 4.294177 5.998397 5.420630 7.171961 4.310039 6.347540 4.293369 6.341870 5.413696 2.402244 1.393105 2.791225 0.000000 3.913173 3.821337 6.079240 6.448007 3.656617 8.421642 6.410207 4.967566 5.540293 7.496894 7.120520 4.214080 5.928345 3.644288 6.828718 6.194710 7.645654 4.854054 7.199288 4.703385 7.088143 5.952628 2.401523 2.793127 1.394304 2.412396 0.000000 4.504580 3.736165 5.934964 5.858410 4.168841 8.683464 5.950156 4.662371 4.968470 7.210167 6.472255 3.837462 5.475913 3.633078 6.783048 6.265490 7.790093 5.037210 7.289074 5.018834 7.274203 6.243034 2.777249 2.420683 2.419325 1.395527 1.393880 0.000000 2.823721 4.636638 2.462596 3.960911 5.401205 4.799365 2.190018 1.081854 2.206533 2.683756 3.513049 2.170984 2.771596 2.729074 3.782094 4.396260 4.168918 3.968914 5.788523 5.142707 6.637636 6.376559 4.832127 4.822680 4.907267 4.867502 4.959592 4.939261 0.000000 5.258814 5.323580 3.282556 2.564959 6.071830 6.551138 2.217682 2.241452 1.082968 3.524756 2.673913 2.765736 2.121551 4.028864 4.487780 5.033941 5.576562 4.764962 6.222117 5.768737 7.030174 6.839939 5.245233 4.387012 5.749398 4.042418 5.489681 4.668100 3.103822 0.000000 5.232557 6.537446 4.009936 5.202763 8.405543 5.389794 2.141763 3.101478 3.531637 1.094374 2.726267 4.138559 4.183598 4.934843 5.164079 6.419741 5.112102 6.555599 7.658532 7.896264 8.826350 8.940881 7.913271 7.706505 8.046850 7.616880 7.967631 7.752062 3.149583 4.339801 0.000000 4.934819 6.760332 2.390228 3.979265 7.046513 3.780710 2.184341 2.722452 2.864164 1.088870 3.487073 4.121040 2.932890 4.920795 3.428065 4.717212 3.371711 4.995178 5.922454 6.372399 7.115843 7.318631 6.763946 6.635671 7.094236 6.834935 7.286839 7.161501 2.392368 3.894993 1.767043 0.000000 6.273425 7.458588 3.417347 4.070421 8.269362 5.045778 2.157079 3.461999 3.076591 1.094903 2.815850 4.735096 3.335373 5.799990 4.389989 5.777820 4.573198 6.185705 6.875835 7.556041 8.132253 8.438086 7.873748 7.462979 8.301397 7.491301 8.330145 7.936710 3.651436 3.804677 1.769307 1.771433 0.000000 5.416966 5.311642 5.216930 5.615018 8.852314 7.545746 2.153407 3.071310 3.462599 2.811895 1.094655 3.299126 4.753776 4.262054 6.594677 7.604880 7.007647 7.432230 8.915070 8.621634 9.926629 9.804356 7.996094 7.508067 8.002959 6.967684 7.502902 6.965498 3.824882 3.660193 2.562650 3.783314 3.234005 0.000000 6.522908 6.500762 4.861480 4.681943 8.893522 7.353548 2.149301 3.508433 3.078634 2.737015 1.094127 4.107448 4.119675 5.331970 6.097201 7.194910 6.690706 7.251717 8.377357 8.471022 9.458667 9.507526 8.128137 7.428497 8.425764 6.995327 8.047714 7.329875 4.325097 3.098588 2.995223 3.769409 2.578474 1.770297 0.000000 5.565570 4.941887 4.961477 4.731680 8.073869 7.854582 2.188048 2.828037 2.705330 3.490047 1.090809 2.824583 4.102867 4.035150 6.326562 7.124127 7.090775 6.847592 8.389547 7.909540 9.281061 9.074294 7.105441 6.373850 7.246406 5.698117 6.661084 5.859861 3.867004 2.387301 3.760028 4.346003 3.791960 1.770355 1.764913 0.000000 3.857943 2.893767 4.834081 4.970458 6.587313 7.789393 2.892828 2.192691 2.820439 4.325426 2.846588 1.084752 4.188985 2.060855 6.207542 6.603855 7.004528 5.914846 7.932342 6.753284 8.573969 8.059600 5.453850 4.915813 5.310220 4.089470 4.560060 3.878674 3.113269 2.585679 4.606406 4.776206 5.036212 3.159674 3.835238 2.240855 0.000000 6.988119 8.809681 2.081757 2.428110 5.684139 3.131123 4.765263 4.858610 3.978997 4.476586 6.057114 6.177510 2.557368 7.017050 1.093740 2.155709 2.084234 3.317949 2.714379 4.474864 4.061203 4.786634 5.955800 5.694640 6.944347 6.495439 7.614804 7.416631 4.542369 4.639736 5.482361 3.830351 4.375567 6.852112 6.078326 6.502189 6.689499 0.000000 4.209526 6.085458 2.422765 3.447940 2.664382 4.486305 4.566265 3.517463 3.511292 5.019678 5.913016 4.196151 2.889130 4.485177 2.736010 2.156189 3.584917 1.081215 3.405334 2.147825 3.869306 3.399535 2.632626 2.906770 3.373059 3.790509 4.163165 4.341514 2.998787 4.078020 5.807038 4.389053 5.637572 6.538563 6.529448 5.998192 4.927898 3.627753 0.000000 8.233863 10.297313 4.102356 4.373803 5.247537 3.845682 7.110152 6.853787 6.139627 6.888521 8.464987 7.997543 4.700939 8.588913 2.719127 2.156198 3.153635 3.402801 1.084475 3.866058 2.155746 3.404815 6.065261 6.098393 7.203210 7.271805 8.219575 8.253205 6.359326 6.699380 7.834697 6.091403 6.897524 9.250493 8.579354 8.801651 8.587786 2.566223 4.301632 0.000000 8.973933 10.898598 5.828863 5.906999 4.515736 5.818511 8.791686 8.198194 7.607792 8.844443 10.132941 9.053049 6.293883 9.421619 4.670170 3.390818 5.197998 3.872157 2.148887 3.383715 1.083980 2.146410 5.668609 5.911098 6.852134 7.268288 8.050036 8.234860 7.698319 8.001039 9.782297 8.051579 9.010073 10.935316 10.393112 10.276437 9.627708 4.778384 4.953272 2.481075 0.000000 7.878294 9.513884 6.088155 6.233509 2.578503 6.814625 8.697215 7.741344 7.419608 9.080013 9.976379 8.223421 6.427069 8.330211 5.396581 3.871490 6.103178 3.398895 3.410646 2.143136 2.166213 1.083506 3.849192 4.382437 4.923581 5.761997 6.181636 6.538596 7.279500 7.686476 9.952096 8.357119 9.485746 10.720553 10.457228 9.925331 8.782614 5.849140 4.282855 4.310029 2.493346 0.000000 6.131682 6.638771 4.588299 3.895998 2.673740 7.145975 6.042965 5.111275 4.573933 6.977833 6.951053 5.261725 4.115636 5.666966 4.802431 3.902900 6.088144 2.993175 4.521953 2.761834 4.388136 3.584858 2.152737 1.083450 3.404331 2.159741 3.876531 3.406954 5.189416 4.389852 7.874884 6.685871 7.389296 7.788888 7.465904 6.592004 5.452654 5.164887 3.027146 5.433787 5.239751 3.992978 0.000000 4.131286 5.389882 6.064739 6.891020 2.580918 7.626069 7.213761 5.740747 6.355071 7.962945 8.246678 5.414431 6.345618 4.777474 6.457232 5.565119 7.012824 4.199504 6.379983 3.748422 6.071858 4.857646 2.141283 3.400196 1.083589 3.874583 2.166686 3.409338 5.320358 6.605100 8.448279 7.463100 8.822148 8.612608 9.143869 8.026532 6.070612 7.378054 3.775539 7.438020 6.966379 4.974947 4.286455 0.000000 5.905798 5.176705 5.546955 4.667339 4.568343 8.621181 5.656975 4.758419 4.375383 6.975481 6.071456 4.316478 4.694975 4.755845 6.295679 5.847862 7.570339 4.912140 6.738458 4.995243 6.811197 6.014355 3.384201 2.144241 3.875711 1.084494 3.397193 2.155355 5.266978 3.747523 7.720091 7.035560 7.438733 6.837025 6.675974 5.375575 4.060419 6.633321 4.439635 7.576409 7.697052 6.390228 2.480936 4.959023 0.000000 3.792898 3.425568 6.833174 7.367972 4.521594 9.038241 6.905243 5.439765 6.225587 7.973905 7.530006 4.508403 6.749265 3.654424 7.648172 7.080331 8.347249 5.740104 8.116887 5.611656 8.012296 6.859867 3.382131 3.876813 2.145295 3.396829 1.083715 2.153414 5.407791 6.207240 8.316418 7.791688 8.877183 7.771367 8.521750 7.069884 4.864148 8.486232 4.992463 9.135760 8.973970 7.053976 4.960196 2.491721 4.296324 0.000000 4.823324 3.254641 6.604471 6.432168 5.252109 9.470421 6.129406 4.936465 5.297736 7.489501 6.404790 3.864452 6.031082 3.635670 7.576394 7.191120 8.582919 6.015222 8.258958 6.079196 8.304353 7.305385 3.860556 3.401346 3.400612 2.153749 2.152474 1.083335 5.375841 4.865571 7.946692 7.583239 8.211376 6.823671 7.278428 5.668021 3.664133 8.168548 5.256826 9.190249 9.268127 7.605633 4.302325 4.307033 2.484543 2.483099 0.000000 C22H19Br2NO3 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 0 486.0482999999997 AuxInfo=1/0/N:7;8;9;10;11;12;13;14;15;16;17;18;19;20;21;22;23;24;25;26;27;28;1;2;6;3;4;5;29;30;31;32;33;34;35;36;37;38;39;40;41;42;43;44;45;46;47/rA:47nBr0Br0O0O0O0N0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:2.1082,-.0131,2.0817;4.3943,-.4747,-.1357;-2.034,1.7914,-.0345;-2.3869,1.6011,-2.2547;-2.0144,-3.2191,.2388;-3.9595,2.5708,2.553;.5616,3.2257,-.8581;.809,1.8289,-.3268;-.1776,2.0373,-1.4833;-.1665,4.2024,.0456;1.5937,3.8972,-1.7447;2.0658,1.1039,-.5737;-1.6242,1.7922,-1.3311;2.717,.3403,.3033;-3.4247,1.5211,.212;-3.7385,.0286,.1961;-3.708,2.1165,1.5249;-2.7036,-.8982,.2528;-5.0675,-.3912,.1213;-3.006,-2.2575,.1934;-5.3529,-1.755,.1059;-4.3253,-2.6964,.1333;-.7978,-2.9579,-.3871;-.7452,-2.4618,-1.6895;.3625,-3.2675,.3135;.4973,-2.2665,-2.2885;1.5993,-3.0753,-.3008;1.6713,-2.5729,-1.599;.3333,1.6299,.6243;.164,1.758,-2.4723;.5675,4.7707,.6252;-.8412,3.7106,.7445;-.7457,4.914,-.5519;2.384,4.3402,-1.1303;1.1213,4.7009,-2.3175;2.0579,3.2113,-2.4545;2.5184,1.2118,-1.5536;-4.041,2.0354,-.531;-1.6732,-.578,.3203;-5.8688,.3379,.0714;-6.3824,-2.0894,.0494;-4.5316,-3.7594,.0952;-1.6609,-2.2265,-2.2185;.2871,-3.6437,1.3269;.5446,-1.8772,-3.2996;2.5063,-3.3076,.2449;2.6347,-2.4141,-2.0683; 0.1758971 0.0986087 0.0795197 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= 782 RedAO= T EigKep= 1.45D-06 NBF= 782 NBsUse= 779 1.00D-06 EigRej= 9.76D-07 NBFU= 779 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= 793 793 793 793 793 MxSgAt= 47 MxSgA2= 47. 1 Closed 1 1 1 -6278.81398229664 -6278.81398230 1 6.267809308312e+03 -2.241416349715e+04 6.128261361457e+03 Using DIIS extrapolation, IDIIS= 1040. NGot= 4246732800 LenX= 4245379432 LenY= 4244716022 Requested convergence on RMS density matrix=1.00D-08 within 128 cycles. Requested convergence on MAX density matrix=1.00D-06. Requested convergence on energy=1.00D-06. No special actions if energy rises. Fock matrices will be formed incrementally for 20 cycles. 1 Singlet-A 4.2397 292.43 0.0003 0.000 125 127 0.65489 126 127 -0.23291 -6278.65817482 2 Singlet-A 4.4521 278.49 0.0083 0.000 125 127 0.21469 126 127 0.63942 126 128 -0.16776 3 Singlet-A 4.5719 271.19 0.0318 0.000 126 127 0.17128 126 128 0.62648 126 129 0.19051 4 Singlet-A 4.7694 259.96 0.0422 0.000 126 128 -0.22020 126 129 0.65571 5 Singlet-A 4.9221 251.89 0.0468 0.000 125 128 0.55721 125 129 -0.19545 126 130 0.31688 6 Singlet-A 4.9815 248.89 0.2855 0.000 125 128 -0.29590 125 129 0.10033 126 130 0.60368 7 Singlet-A 5.0626 244.90 0.0238 0.000 122 130 -0.12675 123 133 0.10696 124 130 -0.12407 124 133 0.10101 125 129 0.12028 126 131 0.57439 126 133 -0.10973 8 Singlet-A 5.1226 242.03 0.0071 0.000 124 127 0.14563 125 128 0.25119 125 129 0.56086 125 131 -0.18496 126 131 -0.14905 9 Singlet-A 5.1486 240.81 0.0054 0.000 123 127 0.23697 124 127 0.62680 125 129 -0.16273 10 Singlet-A 5.2671 235.40 0.0054 0.000 123 127 0.60249 123 128 -0.13545 124 127 -0.22221 124 128 0.11297 126 131 0.12655 PT86634.600S 2023-05-11T09:07:04.000 -482.84533 -482.84440 -62.49803 -62.49713 -56.31853 -56.31765 -56.31444 -56.31434 -56.31351 -56.31345 -19.19433 -19.17114 -19.13337 -14.33629 -10.32671 -10.29399 -10.27691 -10.24809 -10.24065 -10.23555 -10.21239 -10.20818 -10.20450 -10.20388 -10.20325 -10.18659 -10.18600 -10.18324 -10.18198 -10.17981 -10.17871 -10.17867 -10.17704 -10.17369 -10.16406 -10.16113 -8.70768 -8.70677 -6.53948 -6.53864 -6.52589 -6.52574 -6.52491 -6.52483 -2.65033 -2.64946 -2.64641 -2.64633 -2.64551 -2.64547 -2.63553 -2.63552 -2.63457 -2.63456 -1.13593 -1.08838 -1.04763 -0.93661 -0.90310 -0.88024 -0.86568 -0.86071 -0.81670 -0.78811 -0.77113 -0.76508 -0.75796 -0.75497 -0.74032 -0.72874 -0.69598 -0.67284 -0.64659 -0.63017 -0.61713 -0.60260 -0.59379 -0.58174 -0.56418 -0.55904 -0.53986 -0.52062 -0.50707 -0.49663 -0.49479 -0.48904 -0.48663 -0.48059 -0.47792 -0.46194 -0.45660 -0.44697 -0.44023 -0.43597 -0.43019 -0.42129 -0.41981 -0.41520 -0.40548 -0.40179 -0.39695 -0.39504 -0.38659 -0.38533 -0.38343 -0.37686 -0.37504 -0.37110 -0.36761 -0.36424 -0.36058 -0.35088 -0.34766 -0.33629 -0.33335 -0.32989 -0.31896 -0.30917 -0.30588 -0.29590 -0.28847 -0.27240 -0.26290 -0.26181 -0.24389 -0.23325 -0.05066 -0.04071 -0.03582 -0.02686 -0.01972 -0.01385 -0.00948 -0.00648 -0.00297 0.00245 0.00672 0.01380 0.01521 0.01783 0.02585 0.02703 0.03139 0.03436 0.03810 0.04219 0.04514 0.04894 0.05194 0.05252 0.05607 0.05970 0.06164 0.06416 0.06925 0.07164 0.07763 0.07820 0.07959 0.08237 0.08631 0.08913 0.08922 0.09427 0.09515 0.10206 0.10329 0.10581 0.10682 0.11137 0.11264 0.11422 0.11761 0.12032 0.12270 0.12443 0.12953 0.13346 0.13502 0.13641 0.14026 0.14240 0.14454 0.14870 0.14979 0.15139 0.15517 0.15815 0.16095 0.16403 0.16605 0.16832 0.16955 0.17126 0.17390 0.18000 0.18076 0.18431 0.18522 0.18684 0.18974 0.19109 0.19370 0.19783 0.20098 0.20229 0.20386 0.20483 0.20822 0.21126 0.21340 0.21522 0.21736 0.22066 0.22226 0.22361 0.22599 0.22825 0.23016 0.23328 0.23389 0.23557 0.23672 0.23975 0.24430 0.24448 0.24623 0.24902 0.25206 0.25470 0.25719 0.25939 0.26110 0.26329 0.26377 0.26578 0.26727 0.26984 0.27115 0.27444 0.27774 0.28010 0.28323 0.28472 0.28982 0.29109 0.29415 0.29670 0.29736 0.30166 0.30333 0.30644 0.31066 0.31335 0.31628 0.32136 0.32284 0.32585 0.33081 0.33433 0.33873 0.34290 0.34646 0.35029 0.35216 0.35351 0.35700 0.35927 0.36233 0.36580 0.36962 0.37177 0.37741 0.38015 0.38430 0.38768 0.39186 0.39481 0.40047 0.41027 0.41255 0.41689 0.42354 0.42821 0.43462 0.44135 0.44823 0.45175 0.46187 0.46597 0.46858 0.47686 0.48107 0.48196 0.49013 0.49299 0.50059 0.50651 0.51885 0.52251 0.52882 0.54297 0.54620 0.54832 0.55112 0.55872 0.55982 0.56110 0.56751 0.57205 0.57634 0.58027 0.58248 0.58641 0.59284 0.59515 0.60306 0.60799 0.61140 0.61959 0.62718 0.62784 0.63207 0.63423 0.63773 0.64218 0.64477 0.64710 0.65283 0.65618 0.65981 0.66160 0.66392 0.66768 0.67273 0.67716 0.68135 0.68300 0.68538 0.69147 0.69360 0.69433 0.69731 0.70397 0.70592 0.71515 0.71601 0.71856 0.72400 0.72710 0.72881 0.73236 0.73714 0.73919 0.74695 0.74927 0.75579 0.75801 0.76488 0.76677 0.77205 0.77498 0.77666 0.78157 0.78806 0.78990 0.79027 0.79863 0.80178 0.80701 0.81013 0.81334 0.81968 0.82322 0.82573 0.83082 0.83691 0.84402 0.84601 0.85185 0.86227 0.86503 0.87278 0.88390 0.88618 0.89394 0.90097 0.90651 0.91556 0.92009 0.92792 0.92951 0.93357 0.93751 0.94355 0.94708 0.95543 0.95664 0.96154 0.96414 0.97713 0.98270 0.98634 1.00037 1.00614 1.01132 1.01315 1.02124 1.03609 1.03823 1.04762 1.05092 1.05828 1.06497 1.06768 1.08065 1.08198 1.08750 1.09178 1.09967 1.10994 1.11493 1.12367 1.13178 1.13565 1.14562 1.15049 1.15364 1.16191 1.17662 1.18948 1.19583 1.20493 1.21012 1.21792 1.22666 1.26147 1.27798 1.29094 1.30440 1.31138 1.31284 1.32149 1.33605 1.34245 1.35244 1.36536 1.37169 1.38263 1.39384 1.40777 1.41497 1.42554 1.43340 1.44693 1.46140 1.46879 1.47425 1.48176 1.49184 1.50299 1.50937 1.51139 1.51965 1.52707 1.52840 1.53123 1.53715 1.54627 1.55360 1.56259 1.56564 1.57124 1.57690 1.58087 1.58282 1.59628 1.60030 1.60787 1.61194 1.61353 1.62854 1.63565 1.64422 1.65121 1.65933 1.66778 1.67142 1.67636 1.68007 1.68727 1.69369 1.69691 1.70988 1.71379 1.71810 1.72401 1.73486 1.73827 1.75104 1.76014 1.76565 1.76951 1.77187 1.78122 1.79071 1.80576 1.81050 1.81885 1.82439 1.82618 1.83966 1.84273 1.85457 1.86168 1.86464 1.88590 1.89280 1.89822 1.91329 1.91784 1.92480 1.92630 1.93185 1.94058 1.94592 1.95107 1.96046 1.96909 1.97161 1.98208 1.98450 1.99821 2.00091 2.00273 2.01466 2.01745 2.01939 2.03048 2.03629 2.04395 2.04837 2.05275 2.06160 2.07271 2.07636 2.08118 2.08611 2.09349 2.10247 2.10495 2.10880 2.11864 2.11989 2.13285 2.13700 2.15396 2.18131 2.19055 2.20536 2.20961 2.21392 2.23082 2.23836 2.24331 2.26047 2.27182 2.27793 2.28960 2.32678 2.33629 2.34287 2.34361 2.35792 2.39310 2.40318 2.41268 2.42081 2.42981 2.45048 2.45957 2.46678 2.48066 2.48528 2.48983 2.50562 2.51499 2.51854 2.52840 2.54172 2.56520 2.56953 2.60103 2.61916 2.62258 2.62625 2.64160 2.64937 2.65488 2.66713 2.66871 2.68028 2.69310 2.70751 2.71440 2.72262 2.73042 2.73089 2.73951 2.74725 2.75482 2.75801 2.76448 2.76725 2.77651 2.77972 2.78614 2.79889 2.80338 2.81015 2.81534 2.82089 2.83108 2.83921 2.84774 2.85370 2.85607 2.86002 2.87347 2.87882 2.89153 2.89647 2.90615 2.91824 2.93030 2.94176 2.94668 2.95313 2.95640 2.96645 2.97791 2.98707 3.00151 3.01118 3.01654 3.02956 3.04228 3.06215 3.08229 3.08739 3.09791 3.10784 3.11329 3.12497 3.13319 3.14687 3.15841 3.16671 3.17358 3.18708 3.20395 3.22390 3.22876 3.23600 3.26678 3.27283 3.28463 3.32899 3.35486 3.36127 3.36711 3.38005 3.40640 3.42955 3.44571 3.46325 3.53320 3.54560 3.56152 3.57438 3.59720 3.62101 3.65125 3.65346 3.68680 3.70772 3.71106 3.73173 3.76721 3.80244 3.82817 3.83956 3.85245 3.89205 3.95612 3.98254 3.99737 4.01805 4.02710 4.03853 4.07807 4.10513 4.14298 4.15023 4.16061 4.16255 4.17003 4.17717 4.19040 4.19507 4.20595 4.21366 4.22680 4.24400 4.26209 4.27096 4.31080 4.32713 4.40768 4.53302 4.55497 4.55982 4.58339 4.63180 4.84327 4.85438 5.12290 5.14397 5.16733 5.24609 5.42941 5.44298 5.66493 5.87936 5.90123 6.79821 6.81020 7.59789 7.60343 7.62011 7.65943 7.74024 7.75076 23.56094 23.59857 23.63163 23.76827 23.79800 23.86926 23.89423 23.94662 23.95761 23.96583 23.96909 23.98775 23.99627 24.01566 24.07145 24.07912 24.09227 24.10247 24.18344 24.19373 24.19888 24.35039 35.88068 48.04710 48.05889 49.93284 49.98396 50.02603 289.79145 289.79882 289.81475 289.86357 289.95557 289.968331020 .868121020 .88278 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 Br Br O O O N C C C C C C C C C C C C C C C C C C C C C C H H H H H H H H H H H H H H H H H H H -0.025388 0.066080 0.154968 -0.239075 -0.031326 -0.317562 0.380731 -0.066049 -0.170208 -0.537219 -0.523441 -0.650151 -0.534151 0.429709 0.649872 0.521769 -0.553393 0.776815 -0.484641 -0.732469 -0.250567 -0.409389 -0.425914 0.137094 -0.184264 -0.192390 -0.020167 -0.082141 0.178233 0.204402 0.163698 0.158309 0.165888 0.172490 0.170385 0.150550 0.181995 0.254967 0.193737 0.159296 0.169203 0.164885 0.176713 0.159452 0.162258 0.167291 0.159118 0.00000 1.6664 1.5034 -4.1528 4.7204 -185.2530 -188.9244 -203.3988 11.6783 3.5266 -12.4304 7.2724 3.6010 -10.8734 11.6783 3.5266 -12.4304 104.0732 49.7214 25.6703 96.9924 -68.5840 -47.5966 155.3693 -42.1256 -8.2831 20.5027 -8622.9461 -5759.1775 -2067.7641 168.3907 311.2961 71.0406 -225.3287 217.9614 -105.7238 -2472.4617 -2207.6138 -1390.8027 -151.1663 176.1448 136.9410 (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A) (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(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-CIBELES2-310 VALENTIN 2023-05-11T00:00:00.000 0 Electronic spectrum Deltamethrin-trans/ CONF1 octanol 0 1 Version=EM64L-G16RevC.01 State=1-A HF=-6278.8139823 RMSD=1.807e-09 PG=C01 [X(C22H19Br2N1O3)] 0 -2.0967852153 0.3129109359 -1.9983206238 0 -4.4221862761 0.3774769561 0.225282427 0 2.2815438904 1.596854282 0.0200628156 0 2.6050811238 1.516223141 2.2513833891 0 1.4766637449 -3.3553470943 0.1100235966 0 4.2997524855 1.8746779971 -2.599058301 0 -0.0556029601 3.4757023113 0.7134710762 0 -0.5198511451 2.0997345866 0.2824695951 0 0.489701923 2.2351184814 1.4299314617 0 0.8145530293 4.2579202361 -0.2516924348 0 -0.967770079 4.3632317896 1.5395483578 0 -1.8741656237 1.600236102 0.5695024268 0 1.8797077512 1.7563252685 1.3093695368 0 -2.6388494985 0.8859123518 -0.2559573919 0 3.6121515171 1.0952172922 -0.193339837 0 3.6883650722 -0.4228121971 -0.0664894501 0 3.9823478579 1.5415705664 -1.5431785951 0 2.5209332274 -1.1780745916 -0.0655481572 0 4.9353521211 -1.0387823642 0.0508519906 0 2.6067223923 -2.5598487783 0.0948623882 0 5.003558656 -2.425533578 0.1675950729 0 3.8411928976 -3.1941571411 0.1988476799 0 0.3173502848 -2.8620822227 0.7040224035 0 0.3459467648 -2.2701978692 1.966575691 0 -0.8786238797 -3.0366962933 0.0169087045 0 -0.8492957622 -1.8397947405 2.5383178012 0 -2.0687367584 -2.6092065224 0.6042482801 0 -2.0582556001 -2.008345799 1.8619279698 0 -0.0833000505 1.7599312913 -0.6472425864 0 0.1107368636 2.0855661461 2.4333454787 0 0.1774459664 4.8902274895 -0.8777411096 0 1.4023912977 3.6170035124 -0.9069093294 0 1.4993629744 4.9118454876 0.2980625801 0 -1.6803105892 4.878281589 0.8874137397 0 -0.3741298 5.1227628114 2.0570592179 0 -1.5321679223 3.8119258007 2.2927947215 0 -2.3021870517 1.8487988795 1.5347493657 0 4.3029800794 1.5595707251 0.5161667358 0 1.5532022663 -0.7063675436 -0.165624866 0 5.8410355326 -0.4422899886 0.0552549435 0 5.968140119 -2.9118251926 0.2576771013 0 3.8784336137 -4.2706967023 0.3157281954 0 1.2884016573 -2.143046586 2.4856854759 0 -0.8652853357 -3.4929920184 -0.9658330046 0 -0.8328104032 -1.3752016692 3.5181183508 0 -3.0021076325 -2.7359234535 0.0683376576 0 -2.9838752975 -1.6670095351 2.3095142109 Gaussian 16 11-May-2023 Gaussian 16 3-Jul-2019 EM64L-G16RevC.01 135 C1[X(C22H19Br2NO3)] 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 0 486.0482999999997 AuxInfo=1/0/N:7;8;9;10;11;12;13;14;15;16;17;18;19;20;21;22;23;24;25;26;27;28;1;2;6;3;4;5;29;30;31;32;33;34;35;36;37;38;39;40;41;42;43;44;45;46;47/rA:47nBr0Br0O0O0O0N0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:-2.0968,.3129,-1.9983;-4.4222,.3775,.2253;2.2815,1.5969,.0201;2.6051,1.5162,2.2514;1.4767,-3.3553,.11;4.2998,1.8747,-2.5991;-.0556,3.4757,.7135;-.5199,2.0997,.2825;.4897,2.2351,1.4299;.8146,4.2579,-.2517;-.9678,4.3632,1.5395;-1.8742,1.6002,.5695;1.8797,1.7563,1.3094;-2.6388,.8859,-.256;3.6122,1.0952,-.1933;3.6884,-.4228,-.0665;3.9823,1.5416,-1.5432;2.5209,-1.1781,-.0655;4.9354,-1.0388,.0509;2.6067,-2.5598,.0949;5.0036,-2.4255,.1676;3.8412,-3.1942,.1988;.3174,-2.8621,.704;.3459,-2.2702,1.9666;-.8786,-3.0367,.0169;-.8493,-1.8398,2.5383;-2.0687,-2.6092,.6042;-2.0583,-2.0083,1.8619;-.0833,1.7599,-.6472;.1107,2.0856,2.4333;.1774,4.8902,-.8777;1.4024,3.617,-.9069;1.4994,4.9118,.2981;-1.6803,4.8783,.8874;-.3741,5.1228,2.0571;-1.5322,3.8119,2.2928;-2.3022,1.8488,1.5347;4.303,1.5596,.5162;1.5532,-.7064,-.1656;5.841,-.4423,.0553;5.9681,-2.9118,.2577;3.8784,-4.2707,.3157;1.2884,-2.143,2.4857;-.8653,-3.493,-.9658;-.8328,-1.3752,3.5181;-3.0021,-2.7359,.0683;-2.9839,-1.667,2.3095; oldchk=/home/valentin/Almacen/Insecticides/G3/Deltamethrin-trans/gaussian/octan #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 Deltamethrin-trans/ CONF1 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 79 79 16 16 16 14 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 78.9183361 78.9183361 15.9949146 15.9949146 15.9949146 14.0030740 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 3 3 0 0 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 24.5000000 24.5000000 5.6000000 5.6000000 5.6000000 4.5500000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 (Enter /usr/local/gaussian/gaussian16/g16/l101.exe) 6-311+G(3df,2p) (5D, 7F) 0.10000e-02 0.10000e-05 F 1487 A 1315 A 1315 1949 1487 126 126 3739.3427518501 47 47 47 1.00e+00 60 F IExCor= 402 DFT=T Ex+Corr=B3LYP ExCW=0 ScaHFX= 0.200000 ScaDFX= 0.800000 0.720000 1.000000 0.810000 ScalE2= 1.000000 1.000000 IRadAn= 5 IRanWt= -1 IRanGd= 0 ICorTp=0 IEmpDi=131 Grimme-D3 -0.0622465318 PCM SMD-Coulomb. Total charges None On-the-fly selection n-Octanol 9.862900 2.043470 0.000000 3.218085 0.000000 4.989203 6.816817 0.000000 6.451007 7.401643 2.256096 0.000000 5.538120 6.981668 5.017990 5.439756 0.000000 6.611785 9.289280 3.318154 5.150455 6.531624 0.000000 4.639341 5.376279 3.077847 3.644718 7.026751 5.701338 0.000000 3.298706 4.265872 2.858244 3.739293 5.811517 5.619825 1.514786 0.000000 4.705073 5.387825 2.367659 2.380425 5.828341 5.556902 1.532880 1.534339 0.000000 5.204777 6.535196 3.050768 4.121684 7.650560 4.830796 1.516765 2.593015 2.650493 0.000000 5.495115 5.435672 4.529870 4.623574 8.221634 7.146171 1.517287 2.627603 2.581687 2.529093 0.000000 2.881055 2.847110 4.191875 4.785335 5.999749 6.944952 2.616347 1.471752 2.594472 3.868702 3.065402 0.000000 5.369987 6.541432 1.359858 1.212933 5.265935 4.598525 2.656460 2.632553 1.475091 3.135195 3.867438 3.829273 0.000000 1.912588 1.915826 4.979146 5.846611 5.921121 7.389992 3.784173 2.500684 3.801370 4.826639 4.255361 1.332810 4.860579 0.000000 6.038370 8.077189 1.437949 2.677332 4.945691 2.620656 4.465584 4.278890 3.699199 4.222873 5.887147 5.562072 2.386747 6.254818 0.000000 6.143389 8.155160 2.462862 3.210280 3.677301 3.473638 5.461140 4.918750 4.419877 5.495667 6.867690 5.953063 3.148471 6.463923 1.525226 0.000000 6.218731 8.667108 2.310739 4.036856 5.743808 1.151776 5.013819 4.890228 4.638854 4.368228 6.478321 6.226204 3.550246 6.776952 1.469129 2.475043 0.000000 5.223215 7.121182 2.786551 3.554503 2.421124 4.347663 5.376156 4.484587 4.244084 5.700563 6.741918 5.238243 3.303373 5.560545 2.524865 1.390439 3.422805 0.000000 7.448298 9.465714 3.740351 4.098848 4.163232 3.989268 6.762342 6.297871 5.690702 6.717706 8.139092 7.321403 4.328216 7.820941 2.522785 1.395767 3.179209 2.421233 0.000000 5.895519 7.619085 4.170074 4.611393 1.382056 5.457892 6.625597 5.614479 5.408872 7.057900 7.924213 6.132695 4.542349 6.285886 3.801770 2.400606 4.625707 1.393697 2.781743 0.000000 7.912342 9.833863 4.859088 5.062837 3.647856 5.161544 7.792155 7.141380 6.609847 7.898869 9.144745 7.979439 5.343223 8.339753 3.802890 2.407368 4.439317 2.788178 1.393327 2.401698 0.000000 7.237863 9.002261 5.041652 5.284748 2.371681 5.807895 7.741891 6.859372 6.498084 8.055867 9.057468 7.469198 5.439481 7.671034 4.313352 2.788210 5.047940 2.424372 2.421720 1.391789 1.393863 0.000000 4.817810 5.760828 4.920160 5.176639 1.392894 7.014754 6.348755 5.049578 5.151515 7.201044 7.386122 4.973241 4.912952 4.869101 5.226968 4.231722 6.154208 2.878176 5.007694 2.388231 4.736969 3.575324 0.000000 5.325391 5.725153 4.742314 4.418347 2.429579 7.325134 5.894649 4.762576 4.539441 6.910617 6.775736 4.675572 4.358581 4.879518 5.163269 4.326424 6.330195 3.170619 5.123380 2.949291 4.995379 4.024340 1.394699 0.000000 4.094501 4.925123 5.608606 6.152898 2.378569 7.601346 6.601053 5.155789 5.626809 7.493359 7.555482 4.774684 5.679076 4.308098 6.106061 5.262769 6.857364 3.875340 6.147774 3.518679 5.915767 4.725946 1.390313 2.426581 0.000000 5.174114 4.799164 5.287185 4.824718 3.688306 8.167168 5.675784 4.551623 4.430164 6.909029 6.284036 4.093947 4.678659 4.294177 5.998397 5.420630 7.171961 4.310039 6.347540 4.293369 6.341870 5.413696 2.402244 1.393105 2.791225 0.000000 3.913173 3.821337 6.079240 6.448007 3.656617 8.421642 6.410207 4.967566 5.540293 7.496894 7.120520 4.214080 5.928345 3.644288 6.828718 6.194710 7.645654 4.854054 7.199288 4.703385 7.088143 5.952628 2.401523 2.793127 1.394304 2.412396 0.000000 4.504580 3.736165 5.934964 5.858410 4.168841 8.683464 5.950156 4.662371 4.968470 7.210167 6.472255 3.837462 5.475913 3.633078 6.783048 6.265490 7.790093 5.037210 7.289074 5.018834 7.274203 6.243034 2.777249 2.420683 2.419325 1.395527 1.393880 0.000000 2.823721 4.636638 2.462596 3.960911 5.401205 4.799365 2.190018 1.081854 2.206533 2.683756 3.513049 2.170984 2.771596 2.729074 3.782094 4.396260 4.168918 3.968914 5.788523 5.142707 6.637636 6.376559 4.832127 4.822680 4.907267 4.867502 4.959592 4.939261 0.000000 5.258814 5.323580 3.282556 2.564959 6.071830 6.551138 2.217682 2.241452 1.082968 3.524756 2.673913 2.765736 2.121551 4.028864 4.487780 5.033941 5.576562 4.764962 6.222117 5.768737 7.030174 6.839939 5.245233 4.387012 5.749398 4.042418 5.489681 4.668100 3.103822 0.000000 5.232557 6.537446 4.009936 5.202763 8.405543 5.389794 2.141763 3.101478 3.531637 1.094374 2.726267 4.138559 4.183598 4.934843 5.164079 6.419741 5.112102 6.555599 7.658532 7.896264 8.826350 8.940881 7.913271 7.706505 8.046850 7.616880 7.967631 7.752062 3.149583 4.339801 0.000000 4.934819 6.760332 2.390228 3.979265 7.046513 3.780710 2.184341 2.722452 2.864164 1.088870 3.487073 4.121040 2.932890 4.920795 3.428065 4.717212 3.371711 4.995178 5.922454 6.372399 7.115843 7.318631 6.763946 6.635671 7.094236 6.834935 7.286839 7.161501 2.392368 3.894993 1.767043 0.000000 6.273425 7.458588 3.417347 4.070421 8.269362 5.045778 2.157079 3.461999 3.076591 1.094903 2.815850 4.735096 3.335373 5.799990 4.389989 5.777820 4.573198 6.185705 6.875835 7.556041 8.132253 8.438086 7.873748 7.462979 8.301397 7.491301 8.330145 7.936710 3.651436 3.804677 1.769307 1.771433 0.000000 5.416966 5.311642 5.216930 5.615018 8.852314 7.545746 2.153407 3.071310 3.462599 2.811895 1.094655 3.299126 4.753776 4.262054 6.594677 7.604880 7.007647 7.432230 8.915070 8.621634 9.926629 9.804356 7.996094 7.508067 8.002959 6.967684 7.502902 6.965498 3.824882 3.660193 2.562650 3.783314 3.234005 0.000000 6.522908 6.500762 4.861480 4.681943 8.893522 7.353548 2.149301 3.508433 3.078634 2.737015 1.094127 4.107448 4.119675 5.331970 6.097201 7.194910 6.690706 7.251717 8.377357 8.471022 9.458667 9.507526 8.128137 7.428497 8.425764 6.995327 8.047714 7.329875 4.325097 3.098588 2.995223 3.769409 2.578474 1.770297 0.000000 5.565570 4.941887 4.961477 4.731680 8.073869 7.854582 2.188048 2.828037 2.705330 3.490047 1.090809 2.824583 4.102867 4.035150 6.326562 7.124127 7.090775 6.847592 8.389547 7.909540 9.281061 9.074294 7.105441 6.373850 7.246406 5.698117 6.661084 5.859861 3.867004 2.387301 3.760028 4.346003 3.791960 1.770355 1.764913 0.000000 3.857943 2.893767 4.834081 4.970458 6.587313 7.789393 2.892828 2.192691 2.820439 4.325426 2.846588 1.084752 4.188985 2.060855 6.207542 6.603855 7.004528 5.914846 7.932342 6.753284 8.573969 8.059600 5.453850 4.915813 5.310220 4.089470 4.560060 3.878674 3.113269 2.585679 4.606406 4.776206 5.036212 3.159674 3.835238 2.240855 0.000000 6.988119 8.809681 2.081757 2.428110 5.684139 3.131123 4.765263 4.858610 3.978997 4.476586 6.057114 6.177510 2.557368 7.017050 1.093740 2.155709 2.084234 3.317949 2.714379 4.474864 4.061203 4.786634 5.955800 5.694640 6.944347 6.495439 7.614804 7.416631 4.542369 4.639736 5.482361 3.830351 4.375567 6.852112 6.078326 6.502189 6.689499 0.000000 4.209526 6.085458 2.422765 3.447940 2.664382 4.486305 4.566265 3.517463 3.511292 5.019678 5.913016 4.196151 2.889130 4.485177 2.736010 2.156189 3.584917 1.081215 3.405334 2.147825 3.869306 3.399535 2.632626 2.906770 3.373059 3.790509 4.163165 4.341514 2.998787 4.078020 5.807038 4.389053 5.637572 6.538563 6.529448 5.998192 4.927898 3.627753 0.000000 8.233863 10.297313 4.102356 4.373803 5.247537 3.845682 7.110152 6.853787 6.139627 6.888521 8.464987 7.997543 4.700939 8.588913 2.719127 2.156198 3.153635 3.402801 1.084475 3.866058 2.155746 3.404815 6.065261 6.098393 7.203210 7.271805 8.219575 8.253205 6.359326 6.699380 7.834697 6.091403 6.897524 9.250493 8.579354 8.801651 8.587786 2.566223 4.301632 0.000000 8.973933 10.898598 5.828863 5.906999 4.515736 5.818511 8.791686 8.198194 7.607792 8.844443 10.132941 9.053049 6.293883 9.421619 4.670170 3.390818 5.197998 3.872157 2.148887 3.383715 1.083980 2.146410 5.668609 5.911098 6.852134 7.268288 8.050036 8.234860 7.698319 8.001039 9.782297 8.051579 9.010073 10.935316 10.393112 10.276437 9.627708 4.778384 4.953272 2.481075 0.000000 7.878294 9.513884 6.088155 6.233509 2.578503 6.814625 8.697215 7.741344 7.419608 9.080013 9.976379 8.223421 6.427069 8.330211 5.396581 3.871490 6.103178 3.398895 3.410646 2.143136 2.166213 1.083506 3.849192 4.382437 4.923581 5.761997 6.181636 6.538596 7.279500 7.686476 9.952096 8.357119 9.485746 10.720553 10.457228 9.925331 8.782614 5.849140 4.282855 4.310029 2.493346 0.000000 6.131682 6.638771 4.588299 3.895998 2.673740 7.145975 6.042965 5.111275 4.573933 6.977833 6.951053 5.261725 4.115636 5.666966 4.802431 3.902900 6.088144 2.993175 4.521953 2.761834 4.388136 3.584858 2.152737 1.083450 3.404331 2.159741 3.876531 3.406954 5.189416 4.389852 7.874884 6.685871 7.389296 7.788888 7.465904 6.592004 5.452654 5.164887 3.027146 5.433787 5.239751 3.992978 0.000000 4.131286 5.389882 6.064739 6.891020 2.580918 7.626069 7.213761 5.740747 6.355071 7.962945 8.246678 5.414431 6.345618 4.777474 6.457232 5.565119 7.012824 4.199504 6.379983 3.748422 6.071858 4.857646 2.141283 3.400196 1.083589 3.874583 2.166686 3.409338 5.320358 6.605100 8.448279 7.463100 8.822148 8.612608 9.143869 8.026532 6.070612 7.378054 3.775539 7.438020 6.966379 4.974947 4.286455 0.000000 5.905798 5.176705 5.546955 4.667339 4.568343 8.621181 5.656975 4.758419 4.375383 6.975481 6.071456 4.316478 4.694975 4.755845 6.295679 5.847862 7.570339 4.912140 6.738458 4.995243 6.811197 6.014355 3.384201 2.144241 3.875711 1.084494 3.397193 2.155355 5.266978 3.747523 7.720091 7.035560 7.438733 6.837025 6.675974 5.375575 4.060419 6.633321 4.439635 7.576409 7.697052 6.390228 2.480936 4.959023 0.000000 3.792898 3.425568 6.833174 7.367972 4.521594 9.038241 6.905243 5.439765 6.225587 7.973905 7.530006 4.508403 6.749265 3.654424 7.648172 7.080331 8.347249 5.740104 8.116887 5.611656 8.012296 6.859867 3.382131 3.876813 2.145295 3.396829 1.083715 2.153414 5.407791 6.207240 8.316418 7.791688 8.877183 7.771367 8.521750 7.069884 4.864148 8.486232 4.992463 9.135760 8.973970 7.053976 4.960196 2.491721 4.296324 0.000000 4.823324 3.254641 6.604471 6.432168 5.252109 9.470421 6.129406 4.936465 5.297736 7.489501 6.404790 3.864452 6.031082 3.635670 7.576394 7.191120 8.582919 6.015222 8.258958 6.079196 8.304353 7.305385 3.860556 3.401346 3.400612 2.153749 2.152474 1.083335 5.375841 4.865571 7.946692 7.583239 8.211376 6.823671 7.278428 5.668021 3.664133 8.168548 5.256826 9.190249 9.268127 7.605633 4.302325 4.307033 2.484543 2.483099 0.000000 C22H19Br2NO3 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 0 486.0482999999997 AuxInfo=1/0/N:7;8;9;10;11;12;13;14;15;16;17;18;19;20;21;22;23;24;25;26;27;28;1;2;6;3;4;5;29;30;31;32;33;34;35;36;37;38;39;40;41;42;43;44;45;46;47/rA:47nBr0Br0O0O0O0N0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:2.1082,-.0131,2.0817;4.3943,-.4747,-.1357;-2.034,1.7914,-.0345;-2.3869,1.6011,-2.2547;-2.0144,-3.2191,.2388;-3.9595,2.5708,2.553;.5616,3.2257,-.8581;.809,1.8289,-.3268;-.1776,2.0373,-1.4833;-.1665,4.2024,.0456;1.5937,3.8972,-1.7447;2.0658,1.1039,-.5737;-1.6242,1.7922,-1.3311;2.717,.3403,.3033;-3.4247,1.5211,.212;-3.7385,.0286,.1961;-3.708,2.1165,1.5249;-2.7036,-.8982,.2528;-5.0675,-.3912,.1213;-3.006,-2.2575,.1934;-5.3529,-1.755,.1059;-4.3253,-2.6964,.1333;-.7978,-2.9579,-.3871;-.7452,-2.4618,-1.6895;.3625,-3.2675,.3135;.4973,-2.2665,-2.2885;1.5993,-3.0753,-.3008;1.6713,-2.5729,-1.599;.3333,1.6299,.6243;.164,1.758,-2.4723;.5675,4.7707,.6252;-.8412,3.7106,.7445;-.7457,4.914,-.5519;2.384,4.3402,-1.1303;1.1213,4.7009,-2.3175;2.0579,3.2113,-2.4545;2.5184,1.2118,-1.5536;-4.041,2.0354,-.531;-1.6732,-.578,.3203;-5.8688,.3379,.0714;-6.3824,-2.0894,.0494;-4.5316,-3.7594,.0952;-1.6609,-2.2265,-2.2185;.2871,-3.6437,1.3269;.5446,-1.8772,-3.2996;2.5063,-3.3076,.2449;2.6347,-2.4141,-2.0683; 0.1758971 0.0986087 0.0795197 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= 1315 RedAO= T EigKep= 1.20D-06 NBF= 1315 NBsUse= 1309 1.00D-06 EigRej= 9.73D-07 NBFU= 1309 Precomputing XC quadrature grid using IXCGrd= 4 IRadAn= 5 IRanWt= -1 IRanGd= 0 AccXCQ= 0.00D+00. Generated NRdTot= 0 NPtTot= 0 NUsed= 0 NTot= 32 NSgBfM= 1454 1454 1454 1454 1454 MxSgAt= 47 MxSgA2= 47. 1 Closed 1 1 1 -6278.81936378021 -6278.89889009104 -0.079526310825 -6278.89877815816 0.000111932877 -6278.89921847956 -0.000440321399 -6278.89931955099 -0.000101071433 -6278.89932606279 -0.000006511795 -6278.89932690839 -0.000000845601 -6278.89932695464 -0.000000046248 -6278.89932696747 -0.000000012835 -6278.89932697009 -0.000000002614 -6278.89932696914 0.000000000950 -6278.89932696969 -0.000000000557 -6278.89932697 12 6.267505867225e+03 -2.241436049739e+04 6.128676458111e+03 Using DIIS extrapolation, IDIIS= 1040. NGot= 4246732800 LenX= 4242261460 LenY= 4240048804 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. PT79799.200S 2023-05-11T10:02:35.000 -482.84307 -482.84201 -62.49591 -62.49489 -56.31620 -56.31520 -56.31231 -56.31221 -56.31125 -56.31119 -19.19321 -19.17063 -19.13139 -14.33406 -10.32311 -10.29152 -10.27510 -10.24598 -10.23875 -10.23376 -10.21123 -10.20642 -10.20265 -10.20229 -10.20147 -10.18501 -10.18412 -10.18149 -10.18019 -10.17834 -10.17739 -10.17702 -10.17547 -10.17222 -10.16282 -10.16002 -8.70690 -8.70592 -6.53755 -6.53664 -6.52569 -6.52544 -6.52463 -6.52449 -2.64862 -2.64769 -2.64520 -2.64503 -2.64421 -2.64413 -2.63552 -2.63551 -2.63449 -2.63449 -1.13174 -1.08518 -1.04355 -0.93268 -0.90107 -0.87792 -0.86303 -0.85865 -0.81416 -0.78635 -0.76898 -0.76346 -0.75603 -0.75338 -0.73878 -0.72698 -0.69534 -0.67094 -0.64452 -0.62829 -0.61563 -0.60058 -0.59217 -0.57996 -0.56258 -0.55735 -0.53810 -0.51919 -0.50572 -0.49504 -0.49325 -0.48754 -0.48491 -0.47912 -0.47644 -0.46030 -0.45500 -0.44586 -0.43888 -0.43500 -0.42896 -0.42029 -0.41863 -0.41421 -0.40468 -0.40078 -0.39611 -0.39400 -0.38602 -0.38464 -0.38252 -0.37561 -0.37375 -0.37016 -0.36676 -0.36318 -0.35941 -0.34994 -0.34692 -0.33551 -0.33238 -0.32919 -0.31858 -0.30841 -0.30625 -0.29544 -0.28819 -0.27196 -0.26247 -0.26151 -0.24347 -0.23276 -0.04922 -0.04055 -0.03541 -0.02687 -0.01941 -0.01358 -0.00938 -0.00577 -0.00256 0.00210 0.00624 0.01291 0.01434 0.01776 0.02453 0.02615 0.03082 0.03282 0.03651 0.04093 0.04383 0.04738 0.05038 0.05112 0.05487 0.05835 0.06008 0.06253 0.06793 0.07012 0.07590 0.07621 0.07772 0.08066 0.08454 0.08725 0.08743 0.09236 0.09327 0.10013 0.10124 0.10377 0.10456 0.10842 0.11064 0.11136 0.11613 0.11852 0.11999 0.12203 0.12622 0.13166 0.13346 0.13431 0.13860 0.14056 0.14159 0.14596 0.14765 0.14940 0.15193 0.15446 0.15750 0.16001 0.16248 0.16446 0.16673 0.16764 0.17148 0.17551 0.17677 0.17766 0.18050 0.18222 0.18363 0.18688 0.18801 0.19185 0.19535 0.19727 0.19923 0.19973 0.20269 0.20642 0.20733 0.20763 0.21114 0.21343 0.21543 0.21627 0.21760 0.21999 0.22190 0.22644 0.22721 0.22952 0.23004 0.23158 0.23606 0.23629 0.23817 0.24060 0.24438 0.24699 0.24790 0.24888 0.25169 0.25332 0.25506 0.25590 0.25913 0.26016 0.26122 0.26238 0.26768 0.27059 0.27236 0.27338 0.27778 0.28018 0.28230 0.28253 0.28683 0.28916 0.29000 0.29223 0.29808 0.30081 0.30134 0.30534 0.30664 0.31154 0.31396 0.31566 0.31905 0.32136 0.32426 0.32542 0.32765 0.32978 0.33428 0.33573 0.33769 0.33888 0.34427 0.34629 0.34803 0.35044 0.35607 0.36008 0.36189 0.36365 0.36482 0.36804 0.37000 0.37139 0.37847 0.38148 0.38451 0.38585 0.38915 0.39127 0.39572 0.40238 0.40612 0.40819 0.41421 0.41504 0.41651 0.41890 0.42408 0.42856 0.43146 0.43506 0.43609 0.43979 0.44348 0.44851 0.45006 0.45060 0.45608 0.46049 0.46460 0.46721 0.46940 0.47271 0.47507 0.48004 0.48080 0.48552 0.48693 0.49142 0.49389 0.50099 0.50160 0.50808 0.50936 0.51060 0.51170 0.51605 0.52164 0.52537 0.52944 0.53094 0.53487 0.53673 0.53849 0.54281 0.54955 0.55169 0.55416 0.55776 0.55946 0.56040 0.56512 0.56782 0.57295 0.57469 0.57502 0.58103 0.58192 0.58300 0.58620 0.58856 0.59193 0.59364 0.59543 0.59830 0.60210 0.60482 0.60535 0.60724 0.61226 0.61661 0.62006 0.62252 0.62310 0.62508 0.62872 0.63118 0.63433 0.63644 0.63734 0.64121 0.64559 0.64637 0.65287 0.65629 0.65852 0.65931 0.66569 0.66613 0.67160 0.67502 0.67873 0.68236 0.68267 0.68946 0.69177 0.69445 0.69634 0.70287 0.70389 0.70737 0.71190 0.71366 0.72078 0.72436 0.72686 0.72960 0.73426 0.73466 0.74214 0.74258 0.74873 0.75142 0.75672 0.76009 0.76379 0.76525 0.76823 0.77532 0.77933 0.78156 0.78627 0.79169 0.79430 0.79853 0.80197 0.80317 0.81044 0.81227 0.81565 0.81951 0.82493 0.82781 0.83231 0.83539 0.84103 0.84271 0.84435 0.84669 0.85285 0.85467 0.86447 0.86948 0.87641 0.88042 0.88196 0.88370 0.89072 0.89362 0.89625 0.90339 0.90906 0.91868 0.92145 0.92515 0.92979 0.93726 0.93911 0.94450 0.94514 0.95666 0.95953 0.96520 0.96872 0.97609 0.97870 0.98513 0.99085 0.99405 0.99545 1.00063 1.00620 1.01104 1.01269 1.01715 1.02022 1.02182 1.02784 1.03072 1.03369 1.03853 1.04248 1.04637 1.05289 1.05648 1.06016 1.06443 1.06696 1.07009 1.07569 1.07765 1.08378 1.09161 1.09950 1.10191 1.10735 1.11136 1.11374 1.11950 1.12178 1.12613 1.12965 1.13882 1.14117 1.14382 1.14874 1.15336 1.15810 1.16287 1.16829 1.17154 1.17305 1.17586 1.17740 1.18136 1.18505 1.18808 1.19308 1.19756 1.20117 1.20645 1.20991 1.21375 1.21476 1.22037 1.22581 1.22955 1.23269 1.23427 1.23972 1.24415 1.24569 1.25360 1.25586 1.26044 1.26157 1.26628 1.27031 1.27401 1.27901 1.28079 1.28591 1.28961 1.29368 1.29810 1.30604 1.30759 1.31102 1.31255 1.31748 1.32176 1.32829 1.32893 1.33247 1.33515 1.34032 1.34216 1.34943 1.35440 1.35706 1.35957 1.36293 1.36589 1.37373 1.37702 1.38104 1.38452 1.38671 1.39141 1.39263 1.39357 1.39545 1.40499 1.40767 1.41117 1.41676 1.42059 1.42537 1.42645 1.42863 1.43304 1.43481 1.43916 1.44207 1.44518 1.44897 1.45386 1.45408 1.46539 1.46894 1.47620 1.48132 1.48351 1.48813 1.49104 1.49235 1.49757 1.50195 1.50833 1.51128 1.51182 1.51849 1.52199 1.52678 1.53001 1.53696 1.54647 1.54816 1.55337 1.55510 1.56083 1.56340 1.56875 1.57201 1.57742 1.58182 1.58554 1.59149 1.59713 1.60406 1.60700 1.61457 1.61938 1.62464 1.62736 1.63095 1.63685 1.64398 1.64512 1.64787 1.65179 1.65586 1.65958 1.66453 1.67073 1.67579 1.68069 1.68174 1.68804 1.69135 1.69863 1.70656 1.71123 1.71610 1.72416 1.72676 1.74018 1.74498 1.74737 1.76157 1.76690 1.77012 1.77560 1.77822 1.78721 1.79570 1.80249 1.80879 1.81036 1.81299 1.81708 1.82079 1.83133 1.83314 1.84044 1.84622 1.85527 1.86155 1.87335 1.87447 1.87802 1.88895 1.89460 1.90387 1.90816 1.91427 1.92066 1.93491 1.93921 1.94171 1.94530 1.96387 1.96869 1.96954 1.97778 1.98283 1.99167 1.99262 1.99967 2.00558 2.02098 2.02459 2.02839 2.04099 2.04773 2.05307 2.05652 2.06889 2.07199 2.08084 2.08362 2.08849 2.09853 2.11268 2.11515 2.12228 2.13437 2.13771 2.14412 2.15105 2.15683 2.16568 2.16869 2.17077 2.18457 2.18988 2.19882 2.20432 2.22033 2.22570 2.23244 2.23940 2.25427 2.25755 2.25873 2.26890 2.28502 2.29192 2.29662 2.31002 2.31946 2.32915 2.33572 2.34053 2.36033 2.37313 2.37706 2.38217 2.40054 2.40677 2.41469 2.41706 2.42213 2.42669 2.43672 2.44115 2.45208 2.46019 2.47485 2.47833 2.48514 2.49365 2.50089 2.50821 2.52050 2.53065 2.53947 2.54778 2.55362 2.55925 2.59949 2.61927 2.63031 2.64049 2.64947 2.65946 2.67248 2.67608 2.69489 2.70654 2.71939 2.73542 2.74508 2.75403 2.77263 2.78521 2.79696 2.80478 2.80600 2.81075 2.81332 2.81863 2.82828 2.83408 2.84136 2.84326 2.84598 2.85612 2.85978 2.86202 2.86709 2.87259 2.87603 2.88222 2.88533 2.89118 2.90267 2.90588 2.91383 2.91982 2.92650 2.92983 2.93398 2.93747 2.94586 2.95101 2.95529 2.96042 2.96609 2.97074 2.97375 2.97825 2.99165 2.99209 3.00100 3.00590 3.01250 3.01380 3.02198 3.02724 3.03332 3.04262 3.05001 3.05407 3.05829 3.06135 3.07056 3.07867 3.08078 3.08841 3.10294 3.10461 3.10682 3.11355 3.11433 3.12395 3.13279 3.14368 3.14940 3.16040 3.16498 3.17471 3.17776 3.18610 3.18917 3.20230 3.21738 3.22072 3.22749 3.22792 3.23115 3.24009 3.24214 3.24358 3.25175 3.25738 3.26119 3.26897 3.27163 3.28083 3.28265 3.28663 3.29231 3.30041 3.30616 3.30839 3.31092 3.32085 3.32442 3.33023 3.33543 3.34151 3.35301 3.35539 3.35944 3.36704 3.37430 3.37828 3.39135 3.39269 3.40206 3.40272 3.41115 3.41550 3.41958 3.42512 3.42987 3.44030 3.44573 3.45351 3.45757 3.46364 3.46766 3.47164 3.48378 3.49738 3.49960 3.50745 3.51273 3.51287 3.52155 3.52559 3.53430 3.54558 3.54666 3.55207 3.55943 3.56880 3.57579 3.57925 3.58886 3.59224 3.60204 3.60710 3.60966 3.61955 3.62301 3.62634 3.63017 3.63677 3.64825 3.65188 3.66181 3.66565 3.67167 3.67325 3.68573 3.68924 3.69490 3.69883 3.70090 3.71065 3.71328 3.72377 3.73220 3.73235 3.73924 3.74454 3.76279 3.76740 3.77226 3.78014 3.78764 3.80142 3.80889 3.81364 3.82535 3.82925 3.83702 3.83847 3.84673 3.85001 3.85599 3.86189 3.89246 3.89628 3.91020 3.91895 3.92540 3.94462 3.94965 3.97666 3.98610 3.99501 4.01345 4.02396 4.02613 4.04109 4.05950 4.06749 4.08871 4.09288 4.10940 4.12105 4.13146 4.15888 4.16627 4.18261 4.19677 4.20586 4.21150 4.21573 4.23473 4.23665 4.24287 4.25348 4.25872 4.26943 4.27643 4.28581 4.28686 4.30173 4.31119 4.31997 4.32439 4.33210 4.33917 4.34404 4.34984 4.35421 4.35988 4.36254 4.36608 4.37141 4.37914 4.38308 4.38713 4.39067 4.39789 4.40294 4.40631 4.41074 4.41386 4.42774 4.43040 4.43520 4.44565 4.46139 4.46760 4.47476 4.48208 4.49051 4.49231 4.50751 4.51450 4.52055 4.52942 4.53904 4.54327 4.54632 4.55139 4.55854 4.56595 4.57958 4.58461 4.59014 4.59674 4.59928 4.60268 4.61145 4.61934 4.62733 4.64193 4.65903 4.66433 4.69028 4.71067 4.71495 4.73650 4.74877 4.75524 4.76841 4.78357 4.79455 4.80028 4.80761 4.82827 4.84090 4.85430 4.87428 4.88685 4.89180 4.92595 4.94803 4.96330 4.98832 5.00251 5.00369 5.02222 5.08738 5.09208 5.12872 5.16617 5.18247 5.21926 5.23219 5.24935 5.26167 5.30822 5.32776 5.34853 5.36349 5.38428 5.44329 5.46022 5.47614 5.48816 5.50559 5.52885 5.55398 5.56673 5.57633 5.60826 5.61956 5.64148 5.64845 5.67333 5.69373 5.70547 5.72825 5.75366 5.77775 5.78168 5.78529 5.78863 5.80485 5.80962 5.84756 5.86550 5.87142 5.88988 5.90392 5.93288 5.94108 5.94840 5.95781 5.97698 5.98770 5.99795 6.00611 6.02742 6.10940 6.14750 6.21685 6.21915 6.28630 6.34643 6.47930 6.54631 6.62065 6.64469 6.68486 6.77644 6.82654 6.91618 6.92907 6.97870 7.04259 7.07226 7.08572 7.09230 7.10116 7.12042 7.13273 7.14863 7.16522 7.18405 7.18624 7.19279 7.19811 7.21752 7.22784 7.23268 7.24672 7.24892 7.25972 7.27735 7.29503 7.30092 7.31029 7.31643 7.32339 7.32726 7.33944 7.35135 7.35345 7.36207 7.37064 7.37866 7.39487 7.42283 7.43659 7.44711 7.45376 7.45695 7.46640 7.47089 7.47638 7.48576 7.49516 7.50320 7.51201 7.54223 7.56153 7.56917 7.58901 7.60587 7.62307 7.63130 7.63609 7.64218 7.65453 7.67644 7.68227 7.69243 7.69560 7.70260 7.70573 7.71917 7.72928 7.73435 7.74849 7.77849 7.78539 7.81202 7.86817 7.87446 7.88898 7.91344 7.92305 7.93671 7.95161 7.95446 7.96049 7.96215 7.97505 7.98052 7.98870 8.01351 8.01870 8.03459 8.04032 8.06000 8.10419 8.11926 8.12042 8.12903 8.14046 8.17126 8.20186 8.22033 8.25686 8.27028 8.28524 8.30213 8.31087 8.31557 8.33910 8.35969 8.41506 8.45948 8.46799 8.49273 8.51576 8.59436 8.60292 8.63285 8.70777 8.71964 8.73770 8.74353 8.75604 8.76962 8.78999 8.81993 8.84232 8.87613 8.88701 8.91824 8.97776 9.03430 9.11887 9.38489 9.39872 10.19851 10.20268 10.88978 10.90053 11.18004 14.42002 14.45699 14.48090 14.48273 14.49198 14.50447 14.59290 14.63238 14.68952 14.80869 14.97058 15.06490 15.11225 15.11928 15.24112 23.98341 24.08793 24.12317 24.33905 24.45163 24.58085 24.61135 24.65877 24.74769 24.96949 24.97818 24.98337 24.99161 25.15943 25.25414 25.38779 25.39740 25.41032 25.41729 25.71268 25.80654 25.81500 37.01775 48.20703 48.25046 50.25992 50.29785 50.50980 289.88027 289.89620 289.93839 289.99341 290.25838 290.441611021 .065121021 .12045 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 Br Br O O O N C C C C C C C C C C C C C C C C C C C C C C H H H H H H H H H H H H H H H H H H H -0.050994 -0.046526 -0.361393 -0.775327 -0.858352 -1.163596 0.270999 -0.189877 -0.104368 -0.519318 -0.498389 -0.260146 0.443943 0.127814 1.090593 0.553958 0.695285 -0.615418 -0.498843 0.346002 -0.179942 -0.259538 0.606194 -0.232496 -0.385768 -0.094731 0.052634 -0.228516 0.165448 0.154645 0.152026 0.185143 0.159926 0.160200 0.154866 0.164097 0.179418 0.195973 0.227415 0.162538 0.154977 0.160895 0.160694 0.162637 0.152413 0.144210 0.138593 -0.00000 1.6886 1.3802 -4.0755 4.6224 -185.8113 -188.0594 -203.2057 12.2060 3.7939 -12.4136 6.5475 4.2995 -10.8469 12.2060 3.7939 -12.4136 106.5025 46.1847 25.2190 96.1381 -67.8022 -46.3553 154.1880 -42.1336 -8.0958 21.1207 -8653.1292 -5740.6114 -2069.3674 174.0840 318.2476 75.0506 -224.3069 218.9513 -105.5935 -2471.8649 -2201.4905 -1388.1574 -152.1702 176.0811 137.3517 (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A) (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(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-CIBELES2-310 VALENTIN 2023-05-11T00:00:00.000 0 Single Point Deltamethrin-trans/ CONF1 octanol 0 1 Version=EM64L-G16RevC.01 State=1-A HF=-6278.899327 RMSD=4.202e-09 Dipole=-0.5676192,0.755735,1.553669 Quadrupole=2.0371574,7.2353688,-9.2725262,-8.5384832,4.845486,7.5721374 PG=C01 [X(C22H19Br2N1O3)] 0 -2.0967852153 0.3129109359 -1.9983206238 0 -4.4221862761 0.3774769561 0.225282427 0 2.2815438904 1.596854282 0.0200628156 0 2.6050811238 1.516223141 2.2513833891 0 1.4766637449 -3.3553470943 0.1100235966 0 4.2997524855 1.8746779971 -2.599058301 0 -0.0556029601 3.4757023113 0.7134710762 0 -0.5198511451 2.0997345866 0.2824695951 0 0.489701923 2.2351184814 1.4299314617 0 0.8145530293 4.2579202361 -0.2516924348 0 -0.967770079 4.3632317896 1.5395483578 0 -1.8741656237 1.600236102 0.5695024268 0 1.8797077512 1.7563252685 1.3093695368 0 -2.6388494985 0.8859123518 -0.2559573919 0 3.6121515171 1.0952172922 -0.193339837 0 3.6883650722 -0.4228121971 -0.0664894501 0 3.9823478579 1.5415705664 -1.5431785951 0 2.5209332274 -1.1780745916 -0.0655481572 0 4.9353521211 -1.0387823642 0.0508519906 0 2.6067223923 -2.5598487783 0.0948623882 0 5.003558656 -2.425533578 0.1675950729 0 3.8411928976 -3.1941571411 0.1988476799 0 0.3173502848 -2.8620822227 0.7040224035 0 0.3459467648 -2.2701978692 1.966575691 0 -0.8786238797 -3.0366962933 0.0169087045 0 -0.8492957622 -1.8397947405 2.5383178012 0 -2.0687367584 -2.6092065224 0.6042482801 0 -2.0582556001 -2.008345799 1.8619279698 0 -0.0833000505 1.7599312913 -0.6472425864 0 0.1107368636 2.0855661461 2.4333454787 0 0.1774459664 4.8902274895 -0.8777411096 0 1.4023912977 3.6170035124 -0.9069093294 0 1.4993629744 4.9118454876 0.2980625801 0 -1.6803105892 4.878281589 0.8874137397 0 -0.3741298 5.1227628114 2.0570592179 0 -1.5321679223 3.8119258007 2.2927947215 0 -2.3021870517 1.8487988795 1.5347493657 0 4.3029800794 1.5595707251 0.5161667358 0 1.5532022663 -0.7063675436 -0.165624866 0 5.8410355326 -0.4422899886 0.0552549435 0 5.968140119 -2.9118251926 0.2576771013 0 3.8784336137 -4.2706967023 0.3157281954 0 1.2884016573 -2.143046586 2.4856854759 0 -0.8652853357 -3.4929920184 -0.9658330046 0 -0.8328104032 -1.3752016692 3.5181183508 0 -3.0021076325 -2.7359234535 0.0683376576 0 -2.9838752975 -1.6670095351 2.3095142109