Gaussian 16 GINC-CIBELES02 VALENTIN Optimization Deltamethrin-trans CONF41 water EM64L-G16RevC.01 20-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=Water) opt freq geom=check guess=read 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 486.0482999999997 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:-1.14,-.4817,2.2407;-3.3071,1.719,3.0893;2.0824,1.1062,-.7974;2.6541,3.2825,-1.0199;1.414,-3.7703,-1.5233;4.0777,1.1949,-3.5612;-.7083,2.1288,-1.6526;-.6279,1.6231,-.2283;.3509,2.7074,-.7035;-.3112,1.1721,-2.7619;-1.8151,3.0843,-2.0609;-1.6346,1.957,.7926;1.7958,2.4317,-.8518;-1.9608,1.1977,1.8414;3.4418,.6883,-1.0516;3.4796,-.8031,-.7827;3.7928,.9912,-2.4533;2.4722,-1.5946,-1.3386;4.4621,-1.368,.0308;2.4175,-2.9498,-1.0279;4.4223,-2.742,.2896;3.3981,-3.537,-.2241;.1734,-3.1813,-1.7893;-.5109,-2.4792,-.7942;-.3719,-3.3513,-3.0587;-1.7593,-1.9315,-1.0853;-1.629,-2.806,-3.3359;-2.3224,-2.0928,-2.3553;-.1778,.642,-.1256;.1663,3.7256,-.3782;-1.1916,.6118,-3.0926;.4426,.4532,-2.444;.0813,1.7277,-3.6206;-1.5233,3.62,-2.9702;-2.0397,3.8283,-1.2934;-2.7318,2.5249,-2.278;-2.1655,2.899,.6918;4.1321,1.2334,-.4018;1.7235,-1.1522,-1.9824;5.2382,-.7449,.463;5.1819,-3.1934,.9198;3.3397,-4.5973,-.0026;-.0577,-2.3513,.1822;.1883,-3.8969,-3.8106;-2.2862,-1.3788,-.3144;-2.0592,-2.9332,-4.3244;-3.2945,-1.6641,-2.5773; g16 /usr/local/gaussian/gaussian16/g16/l1.exe "/temporal/valentin/opt-b3lyp-pople.com-5097327/Gau-12847.inp" -scrdir="/temporal/valentin/opt-b3lyp-pople.com-5097327/" oldchk=/home/valentin/Almacen/Insecticides/G3/Deltamethrin-trans/gaussian/water chk=/home/valentin/Almacen/Insecticides/G3/Deltamethrin-trans/gaussian/water/CO #P B3LYP 6-311+G(d,p) EmpiricalDispersion=gd3 scrf=(smd,Solvent=Water) 1/18=20,19=15,26=3,29=2,38=1/1,3 2/9=110,12=2,40=1/2 3/5=4,6=6,7=111,11=2,14=-4,25=1,30=1,70=32201,71=1,72=1,74=-5,116=-2,124=31/1,2,3 4/5=1/1 5/5=2,38=6,53=1/2 6/7=2,8=2,9=2,10=2,28=1/1 7//1,2,3,16 1/18=20,19=15,26=3/3(2) 2/9=110/2 99//99 2/9=110/2 3/5=4,6=6,7=111,11=2,14=-2,25=1,30=1,70=32205,71=1,72=1,74=-5,124=31/1,2,3 4/5=5,16=3,69=1/1 5/5=2,38=5,53=1/2 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 CONF41 water 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) 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 1.9114 1.9083 1.3572 1.4447 1.2202 1.3876 1.3988 1.1619 1.5135 1.5354 1.5178 1.5181 1.5361 1.4721 1.0843 1.4784 1.0848 1.0947 1.0891 1.0955 1.0949 1.0923 1.0955 1.3352 1.086 1.5159 1.4763 1.0936 1.3966 1.3951 1.3915 1.082 1.3988 1.0851 1.3973 1.3946 1.0852 1.0847 1.397 1.392 1.394 1.084 1.398 1.0848 1.3986 1.0851 1.3968 1.0856 1.0854 estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|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 47 118.3049 117.4059 117.6016 120.1394 120.5867 115.5973 113.0081 122.7198 114.4258 119.3566 113.7973 115.0449 122.8159 114.9426 121.4757 117.4716 111.8083 109.4499 112.5653 110.3015 107.8806 108.1179 108.3982 109.691 112.9319 109.9991 107.7599 107.951 108.3606 125.6483 117.8127 116.5388 122.546 112.6148 124.8349 113.9818 123.9727 122.0451 106.0706 109.3563 110.193 111.3669 111.6697 108.1684 117.9687 121.2919 120.7057 119.4411 120.2815 120.2535 119.0555 120.2314 120.71 121.6437 117.6713 120.6697 120.8415 119.7412 119.397 119.1944 119.3703 121.4305 120.705 117.9965 121.2709 119.1704 119.7436 121.0746 119.0392 119.4198 121.5399 120.3246 119.1216 120.5537 120.4241 119.4132 120.1602 119.7675 120.0544 120.1781 estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|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 5 5 -1 -2 178.5812 estimate D2E/DX2|estimate D2E/DX2 178.8154 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 -4.8793 174.4014 174.3635 -65.433 53.34 -29.2986 152.1178 -55.5023 126.3833 -140.8624 6.7475 3.5825 151.1924 3.2384 145.1842 -138.6317 3.3141 90.1141 -29.8433 -151.0517 160.4567 40.4992 -80.7091 -56.7701 -176.7275 62.0641 159.2806 39.0698 -82.1253 89.9627 -30.2481 -151.4432 -54.7643 -174.9751 63.8298 134.8458 -9.1789 -6.3123 -150.3369 151.5586 -28.2701 -136.5678 43.6035 4.1303 -175.6984 -58.447 120.8143 12.7172 -168.0215 158.5663 -22.1724 1.3197 -178.9243 -178.8496 0.9064 47.3906 -130.5119 -71.4964 110.6011 167.457 -10.4455 -175.0801 3.145 2.8353 -178.9396 177.5336 -1.8303 -0.3117 -179.6757 178.1046 -3.3538 -0.121 178.4206 -1.7408 179.9096 177.62 -0.7296 179.937 -0.8507 1.339 -179.4488 1.236 -177.9595 179.5912 0.3958 -178.521 2.69 -0.469 -179.258 178.1054 -2.2582 0.0022 179.6387 0.4768 -179.4665 179.2492 -0.6941 0.4608 179.8833 -179.1677 0.2548 -0.0231 -179.9659 179.9193 -0.0234 -0.4519 179.4907 -179.8701 0.0726 estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|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 3700.2409735127 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= 1.16D-06 NBF= 782 NBsUse= 780 1.00D-06 EigRej= 7.94D-07 NBFU= 780 Berny optimization. local minimum Step number 29 out of a maximum of 250 All quantities printed in internal units (Hartrees-Bohrs-Radians) 0.00043 0.00244 0.00444 0.00508 0.01005 0.01277 0.01561 0.01711 0.01862 0.01894 0.01925 0.02002 0.02111 0.02118 0.02124 0.02126 0.02133 0.02136 0.02138 0.02143 0.02154 0.02158 0.02161 0.02171 0.02194 0.02256 0.02316 0.02428 0.02547 0.02819 0.03064 0.03250 0.03357 0.04256 0.04745 0.05410 0.05489 0.05837 0.05851 0.05869 0.06186 0.07778 0.08046 0.09316 0.10079 0.10199 0.11590 0.12393 0.15019 0.15706 0.15779 0.15948 0.15993 0.15996 0.15999 0.16001 0.16003 0.16008 0.16013 0.16018 0.16030 0.16056 0.16094 0.16144 0.16278 0.16973 0.17573 0.18140 0.18157 0.19330 0.21157 0.21997 0.22026 0.22383 0.23237 0.23456 0.23470 0.23741 0.23833 0.24783 0.25011 0.25137 0.25332 0.25811 0.26168 0.28104 0.29766 0.30417 0.30598 0.31452 0.33688 0.33877 0.34187 0.34217 0.34278 0.34289 0.34530 0.34668 0.34859 0.35280 0.35321 0.35332 0.35361 0.35383 0.35406 0.35422 0.35427 0.35445 0.35471 0.35601 0.36027 0.36557 0.37918 0.38628 0.39696 0.41732 0.42308 0.42423 0.43536 0.45403 0.45905 0.46223 0.46296 0.46474 0.46590 0.46679 0.47011 0.50007 0.51672 0.53428 0.58396 0.61012 0.89152 0.99308 1.39296 -1.69526376e-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 3.61885 3.62167 2.55650 2.73377 2.30063 2.62335 2.64623 2.18091 2.85750 2.90168 2.86578 2.86571 2.90212 2.77969 2.04455 2.78726 2.04605 2.06598 2.05571 2.06762 2.06675 2.06132 2.06804 2.51846 2.04978 2.86287 2.78332 2.06265 2.63539 2.63143 2.62400 2.04207 2.64071 2.04750 2.63633 2.63120 2.04770 2.04716 2.63381 2.62466 2.63028 2.04580 2.63928 2.04718 2.63909 2.04834 2.63504 2.04834 2.04779 2.07536 2.04897 2.05054 2.10144 2.10026 2.01827 1.97282 2.14101 1.99144 2.07254 1.98774 2.01707 2.14141 2.00097 2.12959 2.04534 1.95302 1.90801 1.96630 1.92283 1.88347 1.88754 1.89372 1.91244 1.97196 1.91776 1.88178 1.88507 1.89257 2.20266 2.04728 2.03324 2.13736 1.97132 2.17445 1.99432 2.16802 2.12079 1.85390 1.91439 1.92236 1.94220 1.94330 1.88784 2.06214 2.11323 2.10735 2.08421 2.09847 2.10008 2.07752 2.09945 2.10617 2.12286 2.05319 2.10691 2.10877 2.08997 2.08413 2.08025 2.08579 2.11705 2.10023 2.06408 2.11851 2.07966 2.08629 2.11705 2.07651 2.08704 2.11960 2.09924 2.08678 2.09716 2.10133 2.08463 2.09716 2.09101 2.09526 2.09690 3.11995 3.11610 -0.09107 3.03914 3.04688 -1.13553 0.94039 -0.47309 2.69095 -1.01267 2.15736 -2.47546 0.10859 0.05099 2.63505 0.06936 2.53822 -2.40209 0.06677 1.59386 -0.50008 -2.61740 2.81941 0.72547 -1.39185 -0.97630 -3.07025 1.09562 2.77967 0.68112 -1.43496 1.56797 -0.53058 -2.64667 -0.95182 -3.05037 1.11673 2.35707 -0.16773 -0.11060 -2.63540 2.71700 -0.42782 -2.31636 0.82200 0.14040 -3.00442 -1.05888 2.07106 0.18549 -2.96777 2.73929 -0.41396 0.02672 -3.12712 -3.11167 0.01768 0.84832 -2.26075 -1.23435 1.93976 2.94124 -0.16783 -3.06500 0.04504 0.04419 -3.12896 3.10522 -0.02726 -0.00301 -3.13549 3.11016 -0.05456 0.00015 3.11861 -0.02859 3.13994 3.10385 -0.01081 -3.14028 -0.01321 0.02354 -3.13257 0.01851 -3.10830 3.13325 0.00645 -3.12560 0.03685 -0.01336 -3.13409 3.11552 -0.03509 0.00268 3.13526 0.01242 -3.12710 3.13278 -0.00674 0.00900 3.13836 -3.12340 0.00595 -0.00101 -3.13776 3.13850 0.00175 -0.00985 3.12690 -3.13911 -0.00237 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 0.00001 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 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 -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 -0.00001 -0.00000 -0.00001 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00001 -0.00000 0.00000 0.00001 0.00000 0.00000 -0.00001 -0.00000 0.00000 -0.00000 -0.00000 -0.00001 -0.00000 0.00000 -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 -0.00001 0.00000 0.00000 -0.00000 -0.00001 0.00001 -0.00000 0.00000 0.00001 -0.00000 0.00000 -0.00001 0.00001 -0.00000 -0.00001 -0.00000 0.00000 0.00001 -0.00000 -0.00001 0.00001 -0.00000 -0.00001 0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00001 -0.00001 -0.00000 0.00001 -0.00001 -0.00000 0.00000 0.00000 0.00001 -0.00001 -0.00001 0.00001 -0.00000 -0.00000 0.00001 -0.00001 -0.00000 0.00000 0.00001 -0.00002 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 0.00001 0.00002 0.00007 0.00010 -0.00010 -0.00008 -0.00009 -0.00002 -0.00000 0.00015 0.00014 -0.00002 -0.00002 -0.00002 -0.00001 -0.00002 -0.00000 -0.00002 -0.00000 -0.00022 -0.00024 -0.00022 -0.00022 -0.00024 -0.00022 -0.00022 -0.00024 -0.00022 -0.00003 -0.00003 -0.00003 -0.00004 -0.00004 -0.00003 -0.00003 -0.00003 -0.00003 -0.00002 -0.00000 -0.00001 0.00001 0.00011 0.00009 0.00011 0.00009 0.00010 0.00008 -0.00010 -0.00008 -0.00010 -0.00007 -0.00012 -0.00009 0.00000 -0.00001 0.00002 0.00001 0.00006 0.00003 0.00005 0.00003 0.00005 0.00003 -0.00002 -0.00002 -0.00000 0.00001 0.00002 0.00002 -0.00000 -0.00000 0.00002 0.00001 0.00001 -0.00000 0.00001 0.00000 0.00000 -0.00000 -0.00002 -0.00001 -0.00000 0.00000 -0.00000 -0.00001 0.00000 -0.00000 -0.00003 -0.00002 -0.00002 -0.00002 0.00003 0.00002 0.00002 0.00001 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 -0.00001 0.00000 0.00000 -0.00000 0.00001 -0.00001 -0.00001 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00001 -0.00001 -0.00000 0.00000 0.00001 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 0.00001 0.00000 0.00000 0.00000 0.00001 0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00001 -0.00000 0.00002 -0.00003 0.00001 -0.00000 -0.00000 0.00000 -0.00000 0.00001 -0.00000 -0.00000 -0.00002 0.00002 -0.00001 0.00003 -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 0.00001 -0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 0.00002 -0.00001 0.00001 0.00000 -0.00000 -0.00001 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 -0.00001 0.00001 -0.00000 0.00000 -0.00001 0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 0.00001 -0.00002 -0.00005 -0.00005 -0.00007 -0.00000 -0.00002 -0.00003 -0.00005 0.00001 0.00001 -0.00000 -0.00001 -0.00002 -0.00005 -0.00004 -0.00006 0.00000 -0.00001 -0.00000 0.00001 -0.00000 0.00000 0.00003 0.00001 0.00002 0.00004 0.00004 0.00004 0.00006 0.00005 0.00005 0.00003 0.00003 0.00003 0.00001 0.00001 0.00001 0.00001 0.00003 0.00001 0.00003 0.00001 0.00003 0.00001 0.00000 -0.00002 -0.00001 -0.00003 0.00002 -0.00001 -0.00002 -0.00003 -0.00000 -0.00002 0.00001 0.00003 0.00002 0.00004 0.00003 0.00005 0.00002 -0.00000 -0.00000 -0.00002 -0.00001 -0.00002 0.00001 0.00000 -0.00003 -0.00001 -0.00001 0.00001 -0.00001 -0.00000 -0.00000 0.00000 0.00003 0.00002 0.00001 0.00000 -0.00000 0.00001 -0.00001 0.00000 -0.00004 -0.00003 -0.00001 -0.00001 0.00003 0.00002 0.00001 0.00000 0.00001 0.00001 0.00000 0.00001 0.00001 0.00000 0.00001 0.00001 0.00000 0.00001 0.00000 0.00000 -0.00001 -0.00001 -0.00001 -0.00001 0.00001 -0.00000 0.00001 -0.00000 -0.00001 -0.00000 -0.00001 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00001 0.00000 -0.00000 0.00002 -0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00002 -0.00000 0.00002 -0.00003 0.00000 0.00001 -0.00000 0.00000 0.00001 0.00000 -0.00000 -0.00001 -0.00000 0.00002 -0.00002 0.00003 -0.00001 0.00001 0.00000 -0.00002 0.00002 -0.00000 -0.00001 0.00001 0.00000 -0.00000 0.00000 -0.00000 -0.00001 0.00001 0.00000 -0.00001 -0.00001 0.00001 -0.00000 -0.00001 0.00000 0.00000 0.00003 -0.00002 -0.00000 0.00001 -0.00000 -0.00001 0.00002 -0.00001 -0.00001 0.00001 0.00002 -0.00003 0.00000 -0.00000 -0.00000 -0.00000 0.00001 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00001 0.00001 -0.00001 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00001 0.00000 -0.00000 -0.00000 -0.00000 0.00001 -0.00000 0.00001 0.00002 0.00008 0.00008 -0.00015 -0.00014 -0.00016 -0.00002 -0.00002 0.00012 0.00009 -0.00001 -0.00001 -0.00002 -0.00002 -0.00005 -0.00005 -0.00006 -0.00007 -0.00021 -0.00025 -0.00022 -0.00021 -0.00024 -0.00022 -0.00019 -0.00023 -0.00020 0.00001 0.00001 0.00001 0.00002 0.00001 0.00002 0.00001 -0.00000 0.00001 -0.00001 0.00000 0.00000 0.00001 0.00013 0.00010 0.00014 0.00011 0.00013 0.00010 -0.00009 -0.00009 -0.00010 -0.00010 -0.00010 -0.00010 -0.00002 -0.00004 0.00001 -0.00001 0.00007 0.00006 0.00007 0.00007 0.00008 0.00008 -0.00001 -0.00002 -0.00001 -0.00002 0.00001 0.00001 0.00001 0.00000 -0.00001 -0.00000 0.00001 0.00001 -0.00000 -0.00000 0.00000 0.00000 0.00001 0.00001 0.00001 0.00001 -0.00000 -0.00000 -0.00000 -0.00000 -0.00007 -0.00005 -0.00004 -0.00002 0.00005 0.00004 0.00002 0.00001 0.00002 0.00002 0.00001 0.00001 0.00001 0.00000 0.00002 0.00001 0.00001 0.00000 0.00001 0.00000 -0.00002 -0.00002 -0.00002 -0.00001 3.61886 3.62166 2.55651 2.73376 2.30062 2.62335 2.64622 2.18091 2.85750 2.90167 2.86577 2.86571 2.90211 2.77969 2.04455 2.78728 2.04605 2.06598 2.05571 2.06762 2.06675 2.06132 2.06804 2.51846 2.04977 2.86287 2.78332 2.06265 2.63539 2.63143 2.62401 2.04206 2.64070 2.04750 2.63633 2.63120 2.04770 2.04716 2.63381 2.62466 2.63028 2.04580 2.63928 2.04718 2.63909 2.04834 2.63504 2.04834 2.04778 2.07534 2.04897 2.05056 2.10141 2.10026 2.01828 1.97282 2.14101 1.99144 2.07254 1.98774 2.01706 2.14140 2.00098 2.12957 2.04537 1.95301 1.90802 1.96631 1.92282 1.88349 1.88753 1.89370 1.91244 1.97197 1.91776 1.88178 1.88507 1.89256 2.20266 2.04729 2.03323 2.13735 1.97133 2.17445 1.99431 2.16802 2.12079 1.85393 1.91437 1.92236 1.94221 1.94329 1.88783 2.06216 2.11322 2.10734 2.08421 2.09849 2.10005 2.07753 2.09945 2.10617 2.12285 2.05320 2.10691 2.10877 2.08997 2.08413 2.08025 2.08580 2.11705 2.10024 2.06409 2.11850 2.07967 2.08628 2.11705 2.07651 2.08704 2.11960 2.09924 2.08678 2.09717 2.10133 2.08463 2.09715 2.09101 2.09527 2.09689 3.11996 3.11612 -0.09099 3.03922 3.04673 -1.13567 0.94023 -0.47311 2.69093 -1.01255 2.15745 -2.47547 0.10859 0.05097 2.63503 0.06931 2.53816 -2.40215 0.06671 1.59365 -0.50033 -2.61762 2.81921 0.72522 -1.39207 -0.97649 -3.07047 1.09542 2.77969 0.68113 -1.43495 1.56799 -0.53057 -2.64665 -0.95181 -3.05037 1.11674 2.35706 -0.16773 -0.11060 -2.63539 2.71713 -0.42772 -2.31623 0.82211 0.14053 -3.00432 -1.05897 2.07096 0.18538 -2.96787 2.73919 -0.41406 0.02671 -3.12716 -3.11165 0.01767 0.84839 -2.26069 -1.23428 1.93983 2.94132 -0.16776 -3.06501 0.04502 0.04418 -3.12898 3.10523 -0.02725 -0.00300 -3.13548 3.11015 -0.05457 0.00016 3.11862 -0.02860 3.13993 3.10385 -0.01080 -3.14027 -0.01320 0.02355 -3.13256 0.01850 -3.10830 3.13325 0.00644 -3.12567 0.03679 -0.01339 -3.13411 3.11557 -0.03505 0.00270 3.13527 0.01244 -3.12708 3.13278 -0.00674 0.00901 3.13836 -3.12338 0.00597 -0.00100 -3.13776 3.13851 0.00175 -0.00987 3.12688 -3.13913 -0.00238 |Maximum Force|RMS Force|Maximum Displacement|RMS Displacement| 0.000007 0.000002 0.001200 0.000266 0.000450 0.000300 0.001800 0.001200 YES YES YES YES -1.581308e-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 1.915 1.9165 1.3528 1.4466 1.2174 1.3882 1.4003 1.1541 1.5121 1.5355 1.5165 1.5165 1.5357 1.4709 1.0819 1.475 1.0827 1.0933 1.0878 1.0941 1.0937 1.0908 1.0944 1.3327 1.0847 1.515 1.4729 1.0915 1.3946 1.3925 1.3886 1.0806 1.3974 1.0835 1.3951 1.3924 1.0836 1.0833 1.3938 1.3889 1.3919 1.0826 1.3966 1.0833 1.3965 1.0839 1.3944 1.0839 1.0836 -DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-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 47 118.9095 117.3972 117.4875 120.4035 120.3362 115.6383 113.0342 122.6707 114.101 118.748 113.8892 115.5697 122.6936 114.647 122.0164 117.1892 111.9001 109.3207 112.6609 110.1703 107.915 108.1479 108.5019 109.5745 112.9852 109.8795 107.8178 108.0066 108.4361 126.203 117.3007 116.496 122.4614 112.9481 124.587 114.2661 124.2184 121.5122 106.2208 109.6863 110.1428 111.2797 111.3428 108.1652 118.1522 121.079 120.7421 119.4162 120.2333 120.3256 119.0333 120.2896 120.6749 121.6309 117.6394 120.7171 120.8234 119.7467 119.412 119.1896 119.5072 121.2978 120.3346 118.2633 121.3815 119.1556 119.5354 121.2979 118.9752 119.5786 121.4441 120.2777 119.5637 120.1585 120.3973 119.4407 120.1582 119.8063 120.0498 120.1434 -DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-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 5 -1 178.7601 -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 -5.218 174.1302 174.5732 -65.0612 53.8802 -27.1059 154.1801 -58.0219 123.6077 -141.8335 6.222 2.9216 150.9771 3.9738 145.4291 -137.6294 3.8258 91.3215 -28.6527 -149.9661 161.5405 41.5663 -79.7471 -55.938 -175.9122 62.7744 159.2635 39.0254 -82.2173 89.838 -30.4002 -151.6429 -54.5353 -174.7735 63.9839 135.0504 -9.6101 -6.337 -150.9975 155.6725 -24.5123 -132.7178 47.0974 8.0444 -172.1404 -60.6691 118.6628 10.6276 -170.0405 156.9497 -23.7184 1.5312 -179.1705 -178.2853 1.013 48.6051 -129.5315 -70.7231 111.1402 168.5205 -9.6161 -175.6115 2.5806 2.5317 -179.2762 177.9161 -1.5617 -0.1724 -179.6501 178.199 -3.1263 0.0086 178.6833 -1.6383 179.9051 177.8374 -0.6192 -179.9248 -0.7567 1.3489 -179.483 1.0603 -178.0924 179.522 0.3693 -179.0839 2.1112 -0.7652 -179.5701 178.5059 -2.0106 0.1534 179.6369 0.7118 -179.1694 179.4949 -0.3863 0.5157 179.8146 -178.9578 0.341 -0.0579 -179.7803 179.8226 0.1003 -0.5641 179.1579 -179.858 -DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-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 -0.0628868796 PCM SMD-Coulomb. Total charges None On-the-fly selection Water 78.355300 1.777849 0.000000 3.203162 0.000000 4.704815 6.673039 0.000000 6.260645 7.407174 2.261100 0.000000 5.612946 8.584789 4.975341 7.178666 0.000000 7.980994 9.951838 3.409881 3.583690 5.991741 0.000000 4.707283 5.422838 3.092755 3.610701 6.270588 5.236470 0.000000 3.284566 4.265420 2.817278 3.761898 5.910638 5.782230 1.513520 0.000000 4.589318 5.361342 2.360242 2.394876 6.615360 4.933808 1.535394 1.536133 0.000000 5.333661 6.596334 3.097300 4.035085 5.379375 4.461150 1.517788 2.592896 2.651928 0.000000 5.628112 5.533031 4.549731 4.593169 7.596142 6.367564 1.518130 2.627329 2.583850 2.531727 0.000000 2.879005 2.851051 4.131407 4.841033 6.889085 7.222673 2.620442 1.472149 2.596963 3.873310 3.073458 0.000000 5.164319 6.486939 1.357177 1.220186 6.249875 3.751943 2.646412 2.630019 1.478413 3.110415 3.863505 3.833738 0.000000 1.911408 1.908319 4.829010 5.816429 6.884156 8.102543 3.826728 2.498262 3.755033 4.890071 4.336907 1.335241 4.784178 0.000000 5.762025 7.984868 1.444717 2.711345 4.920709 2.637928 4.433908 4.256111 3.708306 4.152634 5.864695 5.548071 2.405941 6.149574 0.000000 5.530304 8.210549 2.365943 4.174888 3.690451 3.474124 5.185657 4.802652 4.703018 4.710513 6.691736 6.021190 3.647391 6.362908 1.515906 0.000000 6.966674 9.036536 2.383378 2.932846 5.403198 1.161939 4.711182 4.989254 4.225351 4.119583 5.998663 6.397320 2.937291 7.182670 1.476300 2.471470 0.000000 5.205510 7.999203 2.781941 4.890893 2.426414 3.911353 4.906917 4.604048 4.838432 4.174663 6.387068 5.832820 4.111598 6.128673 2.496817 1.396558 3.110066 0.000000 6.087045 8.901982 3.531348 5.099003 4.180550 4.429250 6.464845 5.909495 5.835227 6.085705 7.975042 6.986111 4.724982 7.149424 2.537908 1.395057 3.490561 2.426160 0.000000 5.425007 8.457028 4.076411 6.236865 1.387566 5.133476 5.996100 5.552109 6.031629 5.238578 7.442601 6.618971 5.420172 6.678638 3.779693 2.407691 4.410738 1.391487 2.793534 0.000000 6.313062 9.353304 4.633144 6.413801 3.659765 5.517881 7.336264 6.695379 6.874555 6.858500 8.853075 7.682482 5.913457 7.659865 3.811538 2.407961 4.675107 2.787614 1.398806 2.408058 0.000000 6.000358 9.141427 4.859996 6.906022 2.383016 5.829999 7.141763 6.544943 6.964804 6.509634 8.625151 7.519732 6.211837 7.443232 4.305843 2.791637 5.062543 2.423309 2.429388 1.397346 1.394641 0.000000 5.025279 7.741365 4.797009 6.966148 1.398832 6.126530 5.384582 5.114860 5.990651 4.487000 6.579200 6.028069 5.917505 6.075586 5.118655 4.195257 5.563307 2.829362 4.999370 2.380944 4.750591 3.602051 0.000000 3.687263 6.365981 4.424948 6.577611 2.429783 6.496903 4.691397 4.142803 5.258485 4.152529 5.852986 4.843573 5.425901 4.750578 5.071761 4.328181 5.772096 3.158719 5.161941 2.975094 5.057681 4.089502 1.396962 0.000000 6.075166 8.492470 5.568355 7.571062 2.392156 6.381160 5.667623 5.729028 6.540445 4.533516 6.670465 6.678706 6.558352 6.872346 5.906854 5.148549 6.047145 3.759466 6.070076 3.473535 5.879363 4.720373 1.391986 2.430618 0.000000 3.680677 5.757559 4.906082 6.831446 3.693657 7.069306 4.232330 3.827529 5.110636 3.813192 5.110085 4.320004 5.633007 4.289303 5.823762 5.367593 6.421777 4.252455 6.345793 4.299491 6.384357 5.469750 2.406894 1.394018 2.799131 0.000000 6.061250 8.035825 5.960160 7.796044 3.670852 6.973089 5.294626 5.502362 6.422355 4.229747 6.029507 6.303179 6.732941 6.553137 6.568143 6.052092 6.677781 4.719767 7.106572 4.660552 7.054545 5.957246 2.404457 2.795894 1.398043 2.417998 0.000000 5.011628 6.718870 5.662446 7.446011 4.179380 7.295514 4.573953 4.604726 5.737345 3.856123 5.210173 5.175234 6.300076 5.345133 6.531482 6.148149 6.849534 4.926480 7.228298 4.996266 7.273835 6.273109 2.781091 2.422397 2.425538 1.398568 1.396776 0.000000 2.790598 4.613882 2.403259 3.973926 4.894482 5.497144 2.196318 1.084334 2.209004 2.692455 3.520094 2.166685 2.761467 2.712332 3.736517 3.987073 4.615847 3.673746 5.058985 4.522290 5.725868 5.501028 4.184401 3.209299 4.958564 3.169395 4.929529 4.129159 0.000000 5.125097 5.302322 3.272397 2.607163 7.684853 5.642240 2.222353 2.252503 1.084752 3.525752 2.677498 2.782516 2.134001 3.980175 4.517500 5.625891 4.993477 5.877441 6.675777 7.074741 7.771145 7.950770 7.049646 6.255491 7.586686 6.017580 7.391390 6.629985 3.113057 0.000000 5.444448 6.626994 4.028885 5.120438 5.334289 5.322180 2.146778 3.089473 3.532544 1.094728 2.750693 4.135316 4.154272 5.027874 5.063620 5.399810 5.039579 4.622590 6.755722 5.474807 7.362359 6.819566 4.236707 3.911524 4.047117 3.289351 3.454185 3.022737 3.135609 4.348349 0.000000 5.032343 6.802931 2.413821 3.863102 4.430511 3.874536 2.181377 2.724681 2.849356 1.089083 3.488040 4.129379 2.877542 4.969422 3.314965 3.682584 3.393106 3.087829 5.059400 4.181642 5.789699 5.439201 3.702866 3.497124 3.939017 3.518739 3.963511 3.759725 2.407406 3.879733 1.765405 0.000000 6.381818 7.516940 3.515880 3.975041 6.033453 4.032224 2.158134 3.467247 3.089012 1.095480 2.805241 4.740658 3.331894 5.855341 4.355823 5.099726 3.959880 4.686331 6.489039 5.836010 7.356184 7.089062 5.240297 5.102635 5.130027 4.817195 4.853866 4.687727 3.668975 3.809522 1.773240 1.771804 0.000000 6.642555 6.596407 4.903157 4.622569 8.083134 6.131983 2.150304 3.508117 3.079446 2.739454 1.094942 4.115421 4.112882 5.404668 6.076801 7.026885 5.953033 6.768866 8.349261 7.903425 9.297952 9.109528 7.108517 6.554334 7.066273 5.867487 6.437200 5.801062 4.332483 3.095838 3.028895 3.764279 2.564849 0.000000 5.645857 5.026248 4.964697 4.733396 8.349883 7.035688 2.188649 2.826764 2.705493 3.492873 1.092334 2.831545 4.105746 4.093132 6.321840 7.223147 6.588896 7.054634 8.427877 8.116705 9.350635 9.217499 7.367466 6.509323 7.579272 5.770425 6.953733 6.022234 3.870836 2.390563 3.781892 4.344792 3.785174 1.766847 0.000000 5.656204 5.457920 5.232735 5.582528 7.575429 7.055787 2.154661 3.072612 3.466325 2.814855 1.095543 3.309909 4.747818 4.396169 6.556699 7.203661 6.704709 6.703310 8.499249 7.619088 9.247446 8.862360 6.421881 5.672329 6.380336 4.714691 5.545594 4.636481 3.834233 3.667420 2.587591 3.794222 3.217340 1.771590 1.774069 0.000000 3.857454 2.905782 4.845282 5.128920 7.886630 7.743977 2.865772 2.199668 2.883780 4.283544 2.781072 1.086004 4.277068 2.063510 6.274455 6.909890 7.002340 6.769273 7.910071 7.626919 8.682325 8.556588 6.971120 5.819828 7.506606 5.162994 7.003996 5.850371 3.116562 2.695488 4.527817 4.755719 5.001681 3.787095 2.195536 3.046373 0.000000 6.141617 8.232032 2.091384 2.600996 5.803701 3.160027 5.078941 4.779111 4.069523 5.031609 6.445761 5.933431 2.663939 6.492830 1.093593 2.172144 2.093377 3.410365 2.657714 4.564213 4.045603 4.829896 6.089873 5.957736 6.954477 6.722568 7.623355 7.519358 4.359102 4.683934 5.997424 4.288525 5.197524 6.653975 6.754275 7.231945 6.605326 0.000000 5.146202 7.698951 2.575562 4.632410 2.675975 3.680155 4.097274 4.038406 4.291422 3.185946 5.520511 5.352109 3.758674 5.806701 2.684450 2.155213 3.016218 1.081979 3.405760 2.150348 3.869521 3.403388 2.560759 2.857471 3.222606 3.679987 3.975693 4.170544 3.206583 5.365799 3.583639 2.105062 3.697920 5.855870 6.280356 5.784334 6.219973 3.740423 0.000000 6.626527 9.273189 3.869682 5.009664 5.265257 4.615579 6.935067 6.363747 6.096324 6.698623 8.413244 7.392229 4.865152 7.582838 2.752345 2.155911 3.688877 3.408618 1.085093 3.878348 2.164342 3.413846 6.054867 6.135173 7.118222 7.264358 8.114063 8.180648 5.621712 6.813061 7.471697 5.734461 7.027377 8.749681 8.773167 9.040254 8.255057 2.425962 4.301047 0.000000 7.004590 10.045065 5.571558 7.217303 4.527513 6.368288 8.344904 7.633560 7.797007 7.923818 9.861651 8.544459 6.800417 8.434993 4.688501 3.392624 5.551341 3.872843 2.154194 3.390453 1.085241 2.146769 5.694221 5.987947 6.833571 7.334387 8.040443 8.261493 6.673065 8.643731 8.438048 6.861024 8.417169 10.320525 10.312868 10.273840 9.547462 4.737678 4.954730 2.491370 0.000000 6.483690 9.676650 5.894310 7.974753 2.589363 6.837951 8.021823 7.381547 7.923607 7.364051 9.477125 8.266525 7.246487 8.067090 5.389685 3.876129 6.118977 3.399089 3.418983 2.148497 2.167819 1.084737 3.901629 4.465448 4.966705 5.854821 6.245596 6.623259 6.311792 8.915339 7.564122 6.313605 7.982049 9.998952 10.079511 9.631574 9.326550 5.897881 4.289561 4.319982 2.493079 0.000000 2.983987 5.964758 4.182647 6.367048 2.662353 6.609839 4.884799 4.036098 5.151956 4.598536 6.137241 4.628273 5.232777 4.355500 4.796710 3.980030 5.739704 3.047271 4.628024 2.819400 4.498331 3.676086 2.151497 1.083952 3.406138 2.162892 3.879689 3.410914 3.011505 6.106870 4.559593 3.874607 5.578436 6.909532 6.655385 6.081229 5.680530 5.544945 3.048944 5.541358 5.357881 4.076912 0.000000 7.074251 9.558497 6.139885 8.087789 2.598086 6.412201 6.462959 6.630957 7.300491 5.200351 7.470711 7.666828 7.168623 7.906849 6.262692 5.438077 6.223174 4.077700 6.278305 3.689056 6.006048 4.826488 2.144251 3.405474 1.084780 3.883680 2.172069 3.417042 5.857887 8.359706 4.769461 4.566837 5.628798 7.754930 8.424934 7.219081 8.485002 7.313944 3.637661 7.328076 6.914295 4.992269 4.288490 0.000000 2.940595 4.714262 5.049132 6.828799 4.568646 7.593732 4.072326 3.430602 4.878863 4.049447 4.815719 3.574571 5.609952 3.375191 6.134067 5.813378 6.866282 4.872175 6.757150 5.010172 6.872260 6.080924 3.387359 2.143101 3.884135 1.085057 3.405554 2.162452 2.926534 5.663415 3.588696 3.916363 5.117251 5.711637 5.304099 4.392447 4.396177 6.930117 4.348748 7.591028 7.783900 6.489023 2.481666 4.968594 0.000000 7.067924 8.841087 6.775702 8.471772 4.539835 7.435414 5.881165 6.291863 7.122972 4.727629 6.433785 7.090772 7.463399 7.422423 7.354431 6.910833 7.290247 5.589333 7.996567 5.559433 7.958398 6.852653 3.387185 3.881512 2.150314 3.403758 1.085624 2.157144 5.826872 8.053966 3.851912 4.611228 5.176973 6.713111 7.409908 5.867868 7.693407 8.430906 4.792300 8.997815 8.944425 7.113045 4.965275 2.498731 4.306756 0.000000 5.408586 6.599714 6.305046 7.891766 5.264698 7.968090 4.682877 4.840882 5.992494 4.120390 5.000181 5.217633 6.757470 5.430823 7.296490 7.060448 7.569338 5.898621 8.188662 6.056382 8.302432 7.337295 3.866435 3.404760 3.408809 2.157409 2.157107 1.085350 4.587212 6.772154 3.141149 4.297273 4.897758 5.586814 5.778356 4.237216 5.725631 8.263319 5.079001 9.104696 9.296103 7.697116 4.308557 4.316921 2.493726 2.487808 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:2.0223,-1.2421,-1.3615;4.9692,-.1716,-.7055;-1.3739,1.8862,-.4588;-1.0575,4.1245,-.4077;-3.1908,-2.7101,.1128;-4.2991,3.1422,.7628;.6704,1.9107,1.8619;1.1645,1.2573,.5892;.6087,2.6885,.5395;-.5945,1.3565,2.4917;1.6625,2.434,2.8849;2.5926,1.0277,.3152;-.6624,2.9995,-.1486;3.0919,.0487,-.4431;-2.6933,2.0517,-1.0235;-3.1704,.6603,-1.3902;-3.5792,2.6774,-.0219;-3.0236,-.3538,-.4413;-3.6997,.3848,-2.6512;-3.3552,-1.6617,-.7812;-4.0775,-.9267,-2.9576;-3.8971,-1.9568,-2.0349;-2.1682,-2.5941,1.0602;-.8495,-2.3623,.6617;-2.4996,-2.7563,2.4024;.1492,-2.2831,1.631;-1.4879,-2.6846,3.3646;-.1656,-2.4439,2.9841;.4925,.5124,.1775;1.3232,3.5,.4523;-.3319,.5664,3.2024;-1.2761,.9317,1.7561;-1.1235,2.1446,3.0386;1.1742,3.1741,3.5273;2.5326,2.9113,2.4285;2.0128,1.6136,3.5208;3.3105,1.7063,.7662;-2.6503,2.7073,-1.8976;-2.6282,-.1292,.5405;-3.8055,1.1776,-3.3845;-4.4919,-1.1533,-3.9347;-4.1563,-2.9826,-2.2743;-.6211,-2.2276,-.3893;-3.5342,-2.9291,2.6787;1.1719,-2.0943,1.3213;-1.7398,-2.8083,4.4133;.6153,-2.3808,3.7352; 0.1651607 0.0897257 0.0803790 -482.84814 -482.84635 -62.50096 -62.49907 -56.32141 -56.31959 -56.31739 -56.31725 -56.31547 -56.31539 -19.19370 -19.17400 -19.13482 -14.33793 -10.32786 -10.29265 -10.27794 -10.25008 -10.24323 -10.23808 -10.21080 -10.20788 -10.20554 -10.20222 -10.20192 -10.18730 -10.18631 -10.18502 -10.18488 -10.18260 -10.18222 -10.18204 -10.18086 -10.17734 -10.16122 -10.15824 -8.71072 -8.70873 -6.54243 -6.54061 -6.52906 -6.52876 -6.52691 -6.52676 -2.65331 -2.65144 -2.64949 -2.64929 -2.64750 -2.64741 -2.63867 -2.63866 -2.63652 -2.63652 -1.13380 -1.08835 -1.04528 -0.93254 -0.90114 -0.88028 -0.86778 -0.86246 -0.81639 -0.79112 -0.77092 -0.76535 -0.75775 -0.75301 -0.73930 -0.72659 -0.69309 -0.67220 -0.64695 -0.62686 -0.62097 -0.61387 -0.59502 -0.57924 -0.55995 -0.55157 -0.54567 -0.52023 -0.50811 -0.50357 -0.49538 -0.48498 -0.48142 -0.47888 -0.47469 -0.45960 -0.45427 -0.44884 -0.44307 -0.43357 -0.43149 -0.42327 -0.41959 -0.41483 -0.40687 -0.40199 -0.39822 -0.39379 -0.38627 -0.38350 -0.38199 -0.37772 -0.37467 -0.37181 -0.36676 -0.36381 -0.35722 -0.35024 -0.34573 -0.33850 -0.33651 -0.33092 -0.32173 -0.30907 -0.30808 -0.29638 -0.28814 -0.27276 -0.26579 -0.26341 -0.24524 -0.23726 -0.05110 -0.04578 -0.03849 -0.02803 -0.02222 -0.01577 -0.01349 -0.00696 -0.00201 0.00092 0.00592 0.01214 0.01504 0.01842 0.02558 0.02946 0.03314 0.03338 0.03614 0.04180 0.04472 0.05065 0.05122 0.05293 0.05514 0.05820 0.06294 0.06706 0.07118 0.07247 0.07518 0.07688 0.08199 0.08516 0.08745 0.09006 0.09228 0.09455 0.09826 0.09996 0.10188 0.10555 0.10797 0.10943 0.11212 0.11383 0.11759 0.11954 0.12279 0.12422 0.13016 0.13122 0.13306 0.13626 0.13970 0.14007 0.14324 0.14694 0.14957 0.15224 0.15555 0.15816 0.16092 0.16213 0.16440 0.16607 0.16940 0.17109 0.17696 0.17819 0.17980 0.18156 0.18434 0.18702 0.18717 0.18989 0.19345 0.19760 0.19896 0.20293 0.20406 0.20495 0.20862 0.21092 0.21248 0.21372 0.21627 0.22089 0.22213 0.22318 0.22464 0.22606 0.22718 0.23199 0.23270 0.23428 0.23584 0.23773 0.24253 0.24348 0.24407 0.24820 0.24885 0.25143 0.25212 0.25650 0.25935 0.26202 0.26374 0.26673 0.26775 0.26969 0.27035 0.27246 0.27398 0.28074 0.28262 0.28379 0.28692 0.29194 0.29509 0.29526 0.29960 0.30343 0.30611 0.31033 0.31174 0.31414 0.31798 0.31989 0.32510 0.32610 0.32977 0.33522 0.33785 0.33857 0.34061 0.34367 0.34689 0.34766 0.35549 0.35678 0.35923 0.36293 0.36523 0.36979 0.37439 0.37731 0.38254 0.38665 0.38889 0.39326 0.40037 0.40561 0.40614 0.41531 0.42134 0.42590 0.43326 0.43442 0.43598 0.44627 0.45129 0.45502 0.46153 0.46623 0.47135 0.47536 0.48903 0.49154 0.50016 0.50478 0.50546 0.51778 0.52545 0.53033 0.53364 0.54099 0.54337 0.55327 0.55880 0.56317 0.56610 0.56850 0.57075 0.57293 0.57738 0.58262 0.58977 0.59186 0.59690 0.60123 0.60940 0.61656 0.61940 0.62391 0.62775 0.63019 0.63182 0.63465 0.64068 0.64494 0.64997 0.65175 0.65625 0.66064 0.66412 0.66808 0.66977 0.67452 0.67643 0.67938 0.68178 0.68589 0.68974 0.69130 0.69702 0.70113 0.70434 0.70679 0.70830 0.71030 0.71332 0.71476 0.71870 0.73045 0.73510 0.73661 0.74330 0.74421 0.74819 0.75107 0.75242 0.75534 0.76295 0.76679 0.76882 0.77762 0.78306 0.78398 0.78834 0.78960 0.79273 0.79684 0.80841 0.81424 0.82154 0.82744 0.82940 0.83165 0.83766 0.84194 0.84411 0.85104 0.85606 0.86052 0.86735 0.87063 0.87746 0.88550 0.89176 0.89951 0.90983 0.91272 0.91540 0.92420 0.92869 0.93387 0.93655 0.94162 0.94747 0.95494 0.95667 0.96267 0.96898 0.97366 0.98649 0.98797 0.99976 1.00409 1.00768 1.01169 1.01532 1.03298 1.03931 1.04253 1.05530 1.06244 1.06586 1.06995 1.07715 1.08063 1.08388 1.08898 1.10459 1.10925 1.12210 1.12806 1.13943 1.14486 1.14711 1.16093 1.16803 1.16919 1.17762 1.18613 1.19622 1.20134 1.20876 1.21906 1.22309 1.24757 1.26088 1.28654 1.29413 1.30819 1.31637 1.32582 1.32806 1.33379 1.35248 1.37225 1.38131 1.39562 1.39675 1.40026 1.42002 1.42400 1.43518 1.44868 1.45579 1.47280 1.47611 1.48411 1.49246 1.51014 1.51485 1.52186 1.53001 1.53380 1.53632 1.54490 1.54931 1.55534 1.55801 1.56403 1.56588 1.57147 1.57423 1.58670 1.59086 1.60214 1.61005 1.61576 1.61927 1.62374 1.62700 1.63665 1.64207 1.64991 1.66220 1.66451 1.67772 1.68124 1.68272 1.68733 1.69477 1.69796 1.70565 1.71983 1.72753 1.73245 1.73616 1.74694 1.75377 1.75508 1.76593 1.77114 1.77832 1.78731 1.79562 1.79728 1.81104 1.81901 1.82379 1.83585 1.83999 1.84402 1.85321 1.85872 1.87340 1.88245 1.88897 1.90143 1.91005 1.91242 1.92233 1.92877 1.93053 1.93722 1.94312 1.95624 1.95908 1.96941 1.97647 1.98361 1.99381 1.99662 2.00133 2.00913 2.01467 2.02039 2.02380 2.02850 2.03618 2.04087 2.04383 2.05314 2.05751 2.05948 2.07981 2.08483 2.08701 2.08999 2.09308 2.10030 2.10272 2.11437 2.12674 2.13209 2.14796 2.15544 2.18141 2.18708 2.19392 2.21152 2.21546 2.23034 2.23768 2.25225 2.25550 2.26309 2.27515 2.28291 2.31906 2.33459 2.33824 2.34563 2.35572 2.38948 2.40080 2.40537 2.41798 2.42389 2.43291 2.46602 2.46945 2.48105 2.48747 2.49259 2.50322 2.51688 2.52932 2.54216 2.54896 2.57269 2.57749 2.58169 2.60270 2.62134 2.63804 2.64776 2.65394 2.65968 2.66847 2.68581 2.68948 2.69595 2.71389 2.71956 2.72517 2.73252 2.73983 2.74672 2.75264 2.75723 2.76727 2.77106 2.77205 2.78289 2.78581 2.78842 2.80007 2.80258 2.80555 2.81199 2.82103 2.83177 2.83227 2.83877 2.85127 2.86207 2.86293 2.87478 2.88783 2.89346 2.89535 2.90327 2.90796 2.92750 2.93654 2.94363 2.95061 2.96272 2.96851 2.97352 2.98412 2.99480 3.00700 3.01522 3.02413 3.04695 3.05585 3.06814 3.08045 3.09454 3.10321 3.10672 3.11631 3.14334 3.15472 3.16035 3.16842 3.16929 3.18456 3.20188 3.21933 3.23831 3.24984 3.25687 3.26875 3.28604 3.32781 3.34144 3.35604 3.37771 3.37988 3.39374 3.41254 3.43182 3.44987 3.52211 3.54510 3.55158 3.57560 3.58970 3.62084 3.64877 3.65433 3.67471 3.70218 3.71075 3.72909 3.76430 3.81057 3.83414 3.85344 3.86401 3.88956 3.94692 3.99430 4.00277 4.01381 4.02021 4.03392 4.08923 4.12202 4.13840 4.14223 4.14920 4.15485 4.16875 4.17217 4.18065 4.18473 4.19536 4.21578 4.22058 4.23698 4.25159 4.26731 4.31329 4.35991 4.40204 4.53005 4.54431 4.56060 4.58214 4.64506 4.83726 4.84725 5.09649 5.13183 5.15558 5.23206 5.43182 5.44220 5.64485 5.86101 5.87231 6.72154 6.78766 7.56422 7.59739 7.60910 7.66139 7.72109 7.76900 23.54446 23.59660 23.63100 23.77909 23.80464 23.85638 23.88190 23.93984 23.94995 23.96202 23.97774 23.98940 24.00991 24.02369 24.06200 24.06926 24.08511 24.09214 24.17113 24.18154 24.18667 24.31993 35.85006 47.97920 48.03831 49.93468 49.98270 50.00599 289.76108 289.79313 289.80324 289.86750 289.93802 289.983341020 .783531020 .85774 1-A. 3.2862 -2.4171 0.1572 4.0824 -207.1046 -219.5258 -167.7833 24.4371 23.0340 -3.2465 -8.9667 -21.3879 30.3546 24.4371 23.0340 -3.2465 320.6691 -135.6631 -55.1480 169.1416 -72.9437 -79.2126 19.5697 -25.2665 -37.9075 38.5380 -9698.8451 -5690.1752 -3009.2049 348.9372 118.1884 260.4622 121.7258 -40.1314 -34.2000 -2594.6578 -1884.1022 -1262.5608 -100.1630 80.7982 46.6511 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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:-1.0579,-.4847,2.3513;-3.2715,1.6964,3.1878;2.0668,1.1012,-.7609;2.6129,3.2774,-.9755;1.4337,-3.7864,-1.5619;4.0245,1.2084,-3.5498;-.7404,2.1503,-1.5874;-.6567,1.5933,-.184;.3272,2.6876,-.6234;-.349,1.2324,-2.7293;-1.8384,3.1273,-1.9611;-1.6477,1.9091,.856;1.7669,2.4198,-.7996;-1.9322,1.1647,1.9243;3.4218,.6834,-1.0477;3.4674,-.8092,-.7924;3.7514,.9964,-2.4487;2.4668,-1.6034,-1.3519;4.4567,-1.3712,.0105;2.4302,-2.9604,-1.06;4.4326,-2.7472,.2531;3.4184,-3.546,-.2683;.1978,-3.1983,-1.8581;-.5189,-2.5293,-.8675;-.3018,-3.3314,-3.1472;-1.7537,-1.9704,-1.1842;-1.5476,-2.7779,-3.4505;-2.2718,-2.0932,-2.4752;-.217,.6065,-.1259;.1445,3.6915,-.2614;-1.2359,.7038,-3.0888;.3878,.488,-2.435;.0597,1.8161,-3.5595;-1.5416,3.6891,-2.8512;-2.0563,3.846,-1.17;-2.7576,2.5819,-2.1961;-2.2012,2.836,.7508;4.1239,1.218,-.4054;1.7099,-1.1604,-1.9832;5.2273,-.7464,.446;5.1977,-3.1969,.8749;3.3753,-4.6082,-.0599;-.0979,-2.4371,.1257;.2827,-3.8522,-3.896;-2.3104,-1.4369,-.4224;-1.9434,-2.8747,-4.455;-3.2319,-1.6536,-2.7187; 0.000000 3.218215 0.000000 4.686563 6.666617 0.000000 6.220538 7.379628 2.253961 0.000000 5.693995 8.646315 4.993062 7.185534 0.000000 7.969900 9.943079 3.409104 3.591697 5.967631 0.000000 4.749366 5.423547 3.108676 3.590201 6.322293 5.238553 0.000000 3.302532 4.268185 2.827035 3.762019 5.933725 5.778379 1.512124 0.000000 4.563996 5.334640 2.358317 2.386691 6.634558 4.941824 1.535502 1.535735 0.000000 5.409473 6.615772 3.118895 4.003867 5.452376 4.449848 1.516505 2.589041 2.647598 0.000000 5.679024 5.532841 4.560213 4.561567 7.659258 6.370179 1.516469 2.628155 2.583120 2.529653 0.000000 2.883365 2.849404 4.130963 4.835279 6.912297 7.216397 2.617549 1.470948 2.587495 3.872867 3.075097 0.000000 5.132549 6.465922 1.352842 1.217440 6.261709 3.758689 2.641949 2.633581 1.474954 3.100135 3.853270 3.829064 0.000000 1.915011 1.916503 4.817244 5.790498 6.927882 8.090062 3.837074 2.501112 3.730203 4.915935 4.353853 1.332711 4.762122 0.000000 5.743217 7.985334 1.446647 2.718162 4.918924 2.626633 4.445953 4.267023 3.711202 4.165015 5.871592 5.552160 2.411469 6.142402 0.000000 5.519604 8.217834 2.369032 4.179009 3.686718 3.461847 5.205402 4.811468 4.702858 4.741755 6.709162 6.022562 3.649407 6.358636 1.514963 0.000000 6.954303 9.032260 2.386980 2.944457 5.388247 1.154089 4.716983 4.991626 4.232878 4.116761 6.002029 6.395727 2.946879 7.173182 1.472867 2.466587 0.000000 5.233372 8.026550 2.797113 4.897457 2.424279 3.894018 4.942846 4.619401 4.849839 4.226972 6.425323 5.843114 4.120779 6.143839 2.496728 1.394590 3.100287 0.000000 6.056002 8.901106 3.524086 5.097163 4.176583 4.417766 6.477906 5.913734 5.824748 6.113814 7.984386 6.981331 4.718315 7.135178 2.532223 1.392491 3.485713 2.422657 0.000000 5.471095 8.499373 4.088779 6.241086 1.388219 5.110775 6.037396 5.570694 6.042613 5.299954 7.489492 6.634240 5.427207 6.704720 3.776334 2.403161 4.396604 1.388562 2.788924 0.000000 6.298157 9.365421 4.629830 6.412208 3.656241 5.502315 7.357501 6.703134 6.867259 6.898924 8.873397 7.682148 5.908618 7.655498 3.805633 2.404266 4.666678 2.783654 1.397401 2.404092 0.000000 6.022536 9.175079 4.864740 6.907078 2.381238 5.808606 7.175177 6.559407 6.966991 6.563690 8.662071 7.529148 6.212913 7.458361 4.300598 2.786944 5.049541 2.419375 2.425975 1.395086 1.392370 0.000000 5.163257 7.839353 4.814840 6.967585 1.400325 6.076611 5.437036 5.147082 6.015429 4.548509 6.646044 6.071106 5.928417 6.154615 5.110617 4.187367 5.529248 2.819342 4.996774 2.382669 4.753389 3.608403 0.000000 3.851131 6.471373 4.458386 6.598305 2.423813 6.465882 4.739808 4.181138 5.290676 4.200603 5.910468 4.893270 5.451878 4.841177 5.087472 4.342213 5.758985 3.163291 5.183417 2.986637 5.081414 4.110340 1.393753 0.000000 6.237684 8.615730 5.563487 7.542464 2.394140 6.284041 5.716199 5.758423 6.556982 4.583134 6.744115 6.730580 6.547337 6.970899 5.864399 5.110127 5.970432 3.724846 6.037864 3.457957 5.858166 4.708884 1.388908 2.426454 0.000000 3.897555 5.904555 4.920305 6.830089 3.687737 7.006287 4.262551 3.860536 5.132388 3.823344 5.157222 4.384547 5.640591 4.418531 5.817738 5.362965 6.380164 4.239729 6.352490 4.301183 6.398401 5.483754 2.402104 1.391884 2.795311 0.000000 6.257725 8.188912 5.945161 7.752590 3.670443 6.851955 5.330092 5.529100 6.432662 4.247226 6.097035 6.365850 6.710417 6.676838 6.515254 6.007654 6.582439 4.679704 7.071668 4.644438 7.034311 5.947930 2.399815 2.791448 1.396649 2.414668 0.000000 5.230305 6.887006 5.653904 7.413098 4.175112 7.190238 4.597958 4.631301 5.748111 3.849867 5.263655 5.244567 6.283862 5.484998 6.493403 6.117147 6.769482 4.894561 7.209187 4.986358 7.267833 6.273727 2.775087 2.418224 2.421946 1.396545 1.394402 0.000000 2.834410 4.636647 2.421515 3.983019 4.907523 5.484147 2.189340 1.081928 2.207897 2.680794 3.514408 2.169801 2.770942 2.730680 3.754521 4.002919 4.614761 3.686379 5.076709 4.539049 5.745419 5.520818 4.201062 3.236338 4.964104 3.181407 4.927187 4.126722 0.000000 5.070699 5.248481 3.264112 2.602770 7.698843 5.659819 2.217360 2.247291 1.082723 3.518744 2.671923 2.763648 2.130512 3.933735 4.517456 5.619607 5.005800 5.883712 6.655779 7.078868 7.753013 7.943536 7.072649 6.285364 7.605856 6.042509 7.408580 6.648558 3.109127 0.000000 5.571183 6.672676 4.060115 5.089497 5.442416 5.304625 2.142921 3.092602 3.529444 1.093270 2.740053 4.145333 4.147541 5.082101 5.085278 5.448276 5.036738 4.695754 6.805596 5.566207 7.430339 6.904952 4.335531 3.987630 4.142377 3.323681 3.514283 3.045174 3.134673 4.338917 0.000000 5.093566 6.816643 2.448996 3.855143 4.486322 3.871363 2.180448 2.716494 2.850210 1.087834 3.485089 4.122336 2.882433 4.984311 3.341817 3.723600 3.401868 3.141603 5.098326 4.237215 5.835551 5.491152 3.736091 3.519019 3.946032 3.492021 3.929799 3.706502 2.389933 3.878930 1.763601 0.000000 6.440476 7.525804 3.517317 3.915524 6.104641 4.011093 2.154340 3.457824 3.074381 1.094135 2.806565 4.735072 3.300933 5.870571 4.346877 5.114843 3.941393 4.728723 6.498984 5.889146 7.381214 7.131977 5.297066 5.144369 5.176712 4.823722 4.868322 4.679221 3.650958 3.794979 1.771306 1.770854 0.000000 6.687301 6.590429 4.907837 4.576877 8.148439 6.133736 2.146421 3.505591 3.075512 2.733614 1.093676 4.113800 4.094700 5.415739 6.076298 7.040116 5.952193 6.806271 8.353110 7.949790 9.314157 9.144344 7.172740 6.606756 7.135292 5.903696 6.494665 5.840366 4.322548 3.090368 3.010262 3.760612 2.563913 0.000000 5.670222 5.008849 4.970085 4.707782 8.401643 7.042498 2.186646 2.829490 2.705963 3.489650 1.090805 2.832592 4.097408 4.096273 6.326678 7.233651 6.594379 7.084361 8.428063 8.152854 9.359628 9.242730 7.428174 6.565067 7.648787 5.824325 7.023934 6.084821 3.868877 2.386078 3.772042 4.341657 3.782557 1.765239 0.000000 5.742064 5.480400 5.246608 5.551223 7.650117 7.050946 2.150803 3.072381 3.464203 2.811953 1.094362 3.316595 4.737914 4.434740 6.565633 7.226395 6.704119 6.747147 8.517126 7.676029 9.278867 8.911265 6.500771 5.735987 6.473304 4.770268 5.636056 4.708622 3.826567 3.660139 2.576777 3.786130 3.222208 1.770233 1.772713 0.000000 3.859477 2.895394 4.848765 5.133272 7.900454 7.739731 2.841000 2.191772 2.881541 4.256006 2.751514 1.084694 4.280514 2.059741 6.283796 6.913914 7.003922 6.776430 7.910477 7.637266 8.684896 8.564385 6.998231 5.851136 7.539247 5.200624 7.042339 5.891547 3.110721 2.694194 4.496754 4.729205 4.973011 3.760013 2.175046 3.009736 0.000000 6.111317 8.235953 2.090859 2.617122 5.798132 3.146016 5.091897 4.800353 4.076986 5.040551 6.450883 5.948125 2.674882 6.488886 1.091508 2.165675 2.088808 3.406114 2.643377 4.555880 4.031276 4.817852 6.085081 5.984189 6.913826 6.731828 7.576654 7.493555 4.392652 4.687677 6.016001 4.314012 5.179163 6.647252 6.759177 7.240279 6.630313 0.000000 5.186971 7.727548 2.595414 4.639545 2.673866 3.663751 4.137806 4.052239 4.309069 3.243597 5.565513 5.362545 3.771239 5.825744 2.684253 2.151800 3.006032 1.080615 3.400562 2.147343 3.864233 3.398646 2.540709 2.843598 3.180402 3.645630 3.921815 4.119019 3.206930 5.381109 3.657233 2.160919 3.750694 5.902805 6.317467 5.831717 6.224396 3.738129 0.000000 6.572816 9.258204 3.854801 5.004729 5.259722 4.608140 6.938258 6.363396 6.078420 6.715155 8.409740 7.381496 4.852941 7.556202 2.745154 2.152886 3.687165 3.403977 1.083488 3.872174 2.161373 3.408782 6.051176 6.158123 7.082660 7.272523 8.075247 8.159942 5.639001 6.784596 7.508086 5.765900 7.022481 8.738640 8.760956 9.045315 8.252855 2.408614 4.294743 0.000000 6.976209 10.050875 5.563438 7.212590 4.522551 6.353057 8.361574 7.638116 7.784163 7.960770 9.876422 8.539976 6.791255 8.423756 4.680499 3.387455 5.542696 3.867242 2.151633 3.385120 1.083598 2.143537 5.698099 6.013382 6.814658 7.352917 8.023988 8.260458 6.692239 8.618320 8.503966 6.904324 8.437610 10.330455 10.315300 10.301077 9.547487 4.720491 4.947812 2.487843 0.000000 6.516874 9.719795 5.899180 7.975093 2.588651 6.814245 8.059083 7.398004 7.926935 7.423437 9.520170 8.279159 7.247512 8.089027 5.383190 3.870052 6.103997 3.394613 3.413557 2.146756 2.163194 1.083309 3.913756 4.487576 4.968099 5.876034 6.251497 6.636895 6.332558 8.908600 7.658607 6.366936 8.031940 10.040487 10.109827 9.688805 9.336506 5.884193 4.284818 4.312647 2.487350 0.000000 3.112349 6.044329 4.241614 6.420032 2.648417 6.617642 4.938751 4.080718 5.196548 4.656008 6.192382 4.671694 5.284234 4.424088 4.847935 4.025486 5.764846 3.075096 4.679064 2.840986 4.542967 3.708041 2.145268 1.082591 3.398959 2.162156 3.873847 3.407138 3.056239 6.145593 4.636029 3.917826 5.629850 6.962461 6.707597 6.136347 5.711423 5.609367 3.057026 5.596351 5.402064 4.100145 0.000000 7.222627 9.674740 6.127670 8.049331 2.603359 6.303298 6.512075 6.656978 7.313118 5.254846 7.546958 7.713736 7.150499 7.996969 6.207944 5.388431 6.134806 4.037412 6.232044 3.667439 5.971514 4.804889 2.141979 3.400722 1.083321 3.878412 2.168593 3.411493 5.860336 8.374851 4.869839 4.580800 5.682740 7.828851 8.495035 7.316531 8.514465 7.255799 3.597468 7.276600 6.881067 4.985141 4.280371 0.000000 3.188886 4.875982 5.071157 6.838899 4.564709 7.543869 4.085386 3.460378 4.899936 4.036586 4.839658 3.642741 5.625087 3.524007 6.143690 5.823619 6.839079 4.869696 6.781243 5.020084 6.902338 6.106685 3.384514 2.144999 3.879221 1.083933 3.398434 2.155518 2.940364 5.688038 3.584258 3.877693 5.103090 5.724188 5.341660 4.415550 4.432471 6.960541 4.321530 7.618972 7.820005 6.520390 2.489151 4.962265 0.000000 7.267802 9.003947 6.747935 8.409213 4.539326 7.287422 5.909374 6.313426 7.125694 4.731574 6.500314 7.153925 7.426957 7.550598 7.283785 6.852519 7.172206 5.540319 7.947366 5.537227 7.926901 6.835730 3.381286 3.875377 2.147965 3.398774 1.083935 2.153587 5.817153 8.066005 3.895196 4.563149 5.178613 6.768772 7.481420 5.961555 7.731705 8.364230 4.732286 8.942464 8.916626 7.114035 4.957740 2.494643 4.296903 0.000000 5.638911 6.790535 6.284719 7.843202 5.258737 7.844569 4.685858 4.857865 5.991979 4.079230 5.037150 5.289728 6.727853 5.584753 7.247396 7.021704 7.474085 5.860558 8.163442 6.043025 8.292930 7.335662 3.858698 3.399159 3.403577 2.154123 2.153186 1.083641 4.573830 6.783003 3.111008 4.215352 4.856018 5.605276 5.833228 4.293942 5.766904 8.228291 5.020500 9.077260 9.292667 7.710592 4.304170 4.309552 2.483742 2.483128 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:2.0415,-1.2548,-1.4112;5.0015,-.2515,-.6442;-1.3102,1.8892,-.4919;-.9456,4.1126,-.4296;-3.2685,-2.6679,.0819;-4.2309,3.1901,.691;.7095,1.9088,1.8712;1.195,1.2041,.6245;.6781,2.6468,.525;-.5765,1.4099,2.5013;1.7012,2.4402,2.8879;2.6189,.9431,.3634;-.5785,2.9809,-.1713;3.1129,-.0176,-.417;-2.6266,2.0727,-1.0631;-3.124,.6903,-1.4327;-3.5115,2.7126,-.0748;-3.023,-.3222,-.4789;-3.6321,.4246,-2.7017;-3.3854,-1.6186,-.8195;-4.0384,-.8762,-3.0109;-3.9084,-1.9043,-2.0809;-2.291,-2.5555,1.0783;-.9516,-2.3823,.734;-2.6896,-2.6559,2.405;.0021,-2.2927,1.7439;-1.7226,-2.5776,3.4097;-.3798,-2.3906,3.0836;.5063,.4643,.2386;1.4174,3.4312,.4228;-.3409,.6497,3.2509;-1.254,.9654,1.7755;-1.0953,2.2329,3.002;1.2222,3.2104,3.4991;2.5868,2.8815,2.4287;2.0222,1.6321,3.5523;3.3406,1.5927,.847;-2.5692,2.7215,-1.939;-2.6384,-.1043,.5071;-3.702,1.2155,-3.4389;-4.4369,-1.0955,-3.9944;-4.1924,-2.9213,-2.3229;-.675,-2.3006,-.3095;-3.7393,-2.7843,2.6397;1.0439,-2.1445,1.484;-2.0257,-2.652,4.4477;.3652,-2.3168,3.867; 0.1642523 0.0884370 0.0801056 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= 797 797 797 797 797 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= 1.15D-06 NBF= 782 NBsUse= 780 1.00D-06 EigRej= 7.88D-07 NBFU= 780 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= 798 798 798 798 798 MxSgAt= 47 MxSgA2= 47. 1 1.29287105e+00 -9.50974520e-01 6.18435298e-02 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 0.001197264 -0.000659023 0.002756351 -0.001784426 0.001404830 0.001159119 0.000763922 0.004696931 0.000312202 -0.003774662 -0.003895641 0.000809894 0.000093400 0.000377312 0.000277257 -0.004144984 -0.003030490 0.016635108 -0.000582154 -0.000419545 -0.000537897 -0.000223156 -0.000676836 0.000260409 0.001905129 0.001142287 0.000677200 0.000454412 -0.000443157 -0.000113462 -0.000161349 0.000657127 0.000161460 -0.000349070 -0.000747899 0.001472173 0.000114925 0.000917509 -0.000396201 0.001391707 0.001316430 -0.003164553 0.001243451 -0.000259736 -0.001214510 0.000054505 -0.001682493 0.000233911 0.004316138 0.002210400 -0.015146345 0.000623965 -0.001328717 0.000580783 -0.000855854 0.000327403 -0.000507797 0.002647874 0.001583533 0.001109038 -0.000577113 -0.000100444 -0.000251195 -0.000392642 0.001123626 -0.000613352 -0.003034864 0.001000488 -0.000869886 -0.000040717 -0.000647363 -0.001738017 0.000007699 0.000386005 0.001490407 0.001014539 -0.000861394 -0.001023682 -0.000037488 0.000257010 0.000713423 0.000604248 -0.000502918 0.000412571 -0.000680864 0.001577428 -0.001241169 -0.000103289 -0.001342001 -0.000384298 0.000610882 0.000666471 0.000458886 -0.001023895 0.000556503 -0.000358682 -0.000351788 -0.000181013 0.000806719 -0.000027057 -0.000529244 0.000650696 0.000277693 -0.000716027 -0.000643355 0.000794120 0.000165806 0.000212600 0.000696000 -0.000688547 -0.000235763 -0.000603195 -0.001129868 -0.000756613 0.000696020 -0.000332207 0.000707215 -0.000769985 -0.000677917 -0.000417131 -0.000792597 0.000486285 -0.000646616 0.000272797 0.000992201 -0.000055754 -0.000138690 -0.000734822 -0.001333549 -0.000645010 0.000559038 0.000567720 -0.000248653 -0.000652313 -0.002031601 0.000425841 0.000183687 0.001049137 0.001136969 -0.000348696 0.000167152 0.016635108 0.002266891 (Enter /usr/local/gaussian/gaussian16/g16/l716.exe) Closed 1 1 1 -6278.80280150335 -6278.80280419328 -0.000002689925 -6278.80280419417 -0.000000000891 -6278.80280422038 -0.000000026212 -6278.80280422180 -0.000000001415 -6278.80280422197 -0.000000000178 -6278.80280422197 0.000000000007 -6278.80280422215 -0.000000000184 -6278.80280422 8 6.267796169067e+03 -2.231158292173e+04 6.076610276865e+03 Using DIIS extrapolation, IDIIS= 1040. NGot= 2831155200 LenX= 2829808344 LenY= 2829144934 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) PT287779.200S 2023-05-21T03:42:14.000 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 -0.062324 -0.006961 0.142960 -0.325711 -0.018531 -0.344727 0.022403 0.938632 -0.537041 -0.519140 -0.427687 -0.755296 -0.066558 -0.005746 0.313442 0.699813 -0.415568 0.887290 -0.481066 -0.804879 -0.225128 -0.573653 -0.727172 0.172264 -0.212098 0.432556 -0.064422 -0.433069 0.184773 0.208483 0.177809 0.135833 0.173115 0.174702 0.158720 0.170797 0.192071 0.255520 0.225226 0.163824 0.176099 0.172036 0.157150 0.169876 0.165357 0.170784 0.165241 -0.00000 -482.84826 -482.84580 -62.50101 -62.49850 -56.32148 -56.31903 -56.31744 -56.31731 -56.31490 -56.31482 -19.19318 -19.17331 -19.13365 -14.33609 -10.32673 -10.29205 -10.27794 -10.24954 -10.24214 -10.23592 -10.21022 -10.20708 -10.20488 -10.20149 -10.20116 -10.18651 -10.18534 -10.18410 -10.18403 -10.18209 -10.18154 -10.18141 -10.18035 -10.17670 -10.16070 -10.15788 -8.71069 -8.70811 -6.54242 -6.53999 -6.52901 -6.52871 -6.52627 -6.52614 -2.65328 -2.65081 -2.64946 -2.64926 -2.64687 -2.64679 -2.63860 -2.63860 -2.63589 -2.63588 -1.13439 -1.08743 -1.04549 -0.93552 -0.90146 -0.88129 -0.86647 -0.86350 -0.81735 -0.79015 -0.77121 -0.76540 -0.75838 -0.75368 -0.73983 -0.72712 -0.69362 -0.67300 -0.64697 -0.62698 -0.62151 -0.61452 -0.59511 -0.57955 -0.55986 -0.55186 -0.54601 -0.52016 -0.50792 -0.50388 -0.49549 -0.48479 -0.48176 -0.47923 -0.47483 -0.46005 -0.45464 -0.44881 -0.44296 -0.43322 -0.43116 -0.42327 -0.41956 -0.41490 -0.40751 -0.40254 -0.39803 -0.39337 -0.38612 -0.38293 -0.38215 -0.37767 -0.37475 -0.37204 -0.36727 -0.36441 -0.35804 -0.35047 -0.34608 -0.33867 -0.33671 -0.33100 -0.32131 -0.30843 -0.30799 -0.29607 -0.28785 -0.27294 -0.26587 -0.26343 -0.24560 -0.23798 -0.05250 -0.04539 -0.03771 -0.02700 -0.02170 -0.01478 -0.01308 -0.00742 -0.00061 0.00120 0.00625 0.01253 0.01526 0.01936 0.02551 0.02972 0.03324 0.03348 0.03599 0.04218 0.04462 0.05054 0.05112 0.05287 0.05480 0.05823 0.06285 0.06712 0.06949 0.07225 0.07538 0.07742 0.08160 0.08495 0.08775 0.09008 0.09195 0.09444 0.09795 0.09977 0.10140 0.10528 0.10737 0.10920 0.11122 0.11383 0.11713 0.11984 0.12215 0.12440 0.13045 0.13103 0.13313 0.13665 0.13932 0.14091 0.14352 0.14581 0.14929 0.15230 0.15547 0.15822 0.16093 0.16202 0.16423 0.16635 0.16848 0.16990 0.17734 0.17833 0.17979 0.18150 0.18405 0.18640 0.18741 0.18870 0.19381 0.19825 0.19905 0.20307 0.20395 0.20489 0.20884 0.21116 0.21322 0.21462 0.21562 0.22141 0.22199 0.22311 0.22480 0.22658 0.22761 0.23193 0.23267 0.23455 0.23552 0.23823 0.24245 0.24374 0.24402 0.24807 0.24871 0.25178 0.25247 0.25689 0.25950 0.26233 0.26460 0.26703 0.26838 0.26947 0.27071 0.27210 0.27440 0.28000 0.28214 0.28446 0.28766 0.29252 0.29499 0.29551 0.30035 0.30311 0.30619 0.30948 0.31187 0.31457 0.31809 0.32070 0.32485 0.32662 0.33016 0.33449 0.33806 0.33930 0.34085 0.34384 0.34694 0.34909 0.35588 0.35745 0.35876 0.36429 0.36626 0.36955 0.37428 0.37716 0.38353 0.38709 0.38979 0.39488 0.40026 0.40604 0.40687 0.41653 0.41837 0.42504 0.43286 0.43413 0.43666 0.44404 0.45118 0.45503 0.46004 0.46380 0.46951 0.47593 0.48722 0.49349 0.49845 0.50141 0.50713 0.51873 0.52638 0.53397 0.53639 0.54022 0.54308 0.55363 0.55775 0.56191 0.56823 0.56910 0.57156 0.57447 0.57780 0.58129 0.58894 0.59338 0.59638 0.60143 0.60733 0.61673 0.62059 0.62259 0.62675 0.63175 0.63337 0.63562 0.63865 0.64524 0.64932 0.65247 0.65619 0.66168 0.66331 0.66911 0.67060 0.67526 0.67752 0.67951 0.68164 0.68623 0.68997 0.69394 0.69730 0.70149 0.70361 0.70589 0.70883 0.71180 0.71345 0.71502 0.71946 0.73155 0.73389 0.73615 0.74362 0.74497 0.74767 0.75199 0.75352 0.75650 0.76352 0.76799 0.76939 0.77779 0.78289 0.78337 0.78721 0.78947 0.79502 0.79873 0.80727 0.81273 0.82006 0.82685 0.82895 0.83051 0.83710 0.84117 0.84397 0.85118 0.85566 0.86115 0.86435 0.87233 0.87589 0.88040 0.89092 0.89836 0.90865 0.91091 0.91592 0.92261 0.92766 0.93224 0.93574 0.93845 0.94839 0.95361 0.95479 0.96229 0.96934 0.97345 0.98391 0.98683 1.00086 1.00251 1.00454 1.01225 1.01538 1.03092 1.03996 1.04392 1.05769 1.05994 1.06525 1.06930 1.07490 1.07930 1.08191 1.09072 1.10325 1.10914 1.12167 1.12926 1.14199 1.14488 1.15052 1.15979 1.16773 1.17107 1.17771 1.18758 1.19454 1.20141 1.20616 1.21906 1.22394 1.25046 1.26182 1.28785 1.29303 1.30734 1.31780 1.32677 1.32901 1.33346 1.35384 1.37181 1.38248 1.39698 1.39736 1.40179 1.41902 1.42367 1.43598 1.44851 1.45543 1.47392 1.47486 1.48356 1.49318 1.50956 1.51649 1.52314 1.53032 1.53365 1.53592 1.54612 1.55060 1.55372 1.55881 1.56515 1.56660 1.57196 1.57684 1.58769 1.59089 1.60443 1.61065 1.61735 1.62091 1.62440 1.62754 1.63714 1.64492 1.65073 1.66350 1.66375 1.67820 1.68357 1.68519 1.68861 1.69452 1.69864 1.70933 1.71911 1.72812 1.73292 1.73855 1.74862 1.75588 1.75718 1.76731 1.77390 1.78160 1.78822 1.79715 1.79859 1.81115 1.81928 1.82346 1.83796 1.84042 1.84438 1.85355 1.86083 1.87537 1.88249 1.89010 1.90189 1.91068 1.91321 1.92534 1.92916 1.93127 1.93873 1.94355 1.95759 1.96168 1.96963 1.97839 1.98443 1.99476 1.99900 2.00323 2.00769 2.01496 2.02141 2.02476 2.02739 2.03575 2.04358 2.04703 2.05305 2.05525 2.06241 2.07604 2.08311 2.09051 2.09115 2.09745 2.10266 2.10436 2.11305 2.12812 2.13326 2.14804 2.15893 2.17950 2.18566 2.19468 2.21207 2.21771 2.23217 2.23672 2.25189 2.25523 2.26524 2.27269 2.28571 2.31997 2.33654 2.33961 2.34831 2.35870 2.39145 2.40382 2.41019 2.42191 2.42609 2.43587 2.46615 2.47251 2.48329 2.48935 2.49080 2.50718 2.51572 2.53305 2.54433 2.55302 2.57870 2.58190 2.58476 2.60744 2.62422 2.64019 2.65147 2.65737 2.66331 2.67283 2.68721 2.69379 2.69857 2.71452 2.71998 2.72740 2.73279 2.74237 2.75037 2.75370 2.75887 2.76896 2.77180 2.77436 2.78258 2.78549 2.78808 2.80013 2.80512 2.80781 2.81446 2.82170 2.83345 2.83352 2.83890 2.84958 2.86106 2.86481 2.87541 2.88726 2.89522 2.89717 2.90336 2.90719 2.92882 2.93720 2.94092 2.95085 2.96298 2.96935 2.97358 2.98664 2.99511 3.00901 3.01742 3.02706 3.04908 3.05524 3.07139 3.08267 3.09718 3.10671 3.10931 3.12059 3.14285 3.15255 3.16155 3.17072 3.17278 3.18711 3.20159 3.22299 3.24215 3.25112 3.25941 3.27256 3.29042 3.33117 3.34361 3.36099 3.38003 3.38173 3.39811 3.41733 3.43549 3.45061 3.52580 3.54764 3.55544 3.58079 3.59243 3.62906 3.65419 3.66345 3.67584 3.70762 3.71574 3.73244 3.76629 3.81355 3.83743 3.85664 3.86606 3.89602 3.94982 3.99586 4.00753 4.01777 4.02330 4.03715 4.09095 4.12496 4.13918 4.14398 4.15252 4.15727 4.17007 4.17223 4.18130 4.18263 4.19432 4.20967 4.22155 4.23958 4.24892 4.26283 4.31844 4.36214 4.39956 4.52970 4.54254 4.56440 4.58063 4.65455 4.84066 4.85175 5.09846 5.13231 5.15562 5.23501 5.42990 5.44241 5.64970 5.86298 5.87646 6.71506 6.78486 7.56339 7.58848 7.60587 7.65645 7.71586 7.75907 23.54279 23.59862 23.63023 23.78087 23.80809 23.86096 23.88819 23.94499 23.95533 23.96779 23.98112 23.99323 24.01446 24.02651 24.07068 24.07864 24.09328 24.09961 24.18065 24.19216 24.19583 24.34414 35.86906 47.97390 48.03619 49.93495 49.98373 50.00977 289.76003 289.78435 289.80005 289.86149 289.93307 289.972431020 .776811020 .85492 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 -0.062855 -0.012933 0.140587 -0.327786 -0.023760 -0.349100 0.008995 0.880604 -0.488621 -0.519499 -0.414945 -0.712943 -0.058430 -0.053101 0.329174 0.701716 -0.416352 0.947225 -0.481395 -0.833816 -0.218025 -0.615416 -0.615186 0.122455 -0.230029 0.376898 -0.053621 -0.440895 0.190936 0.209022 0.177580 0.140757 0.172598 0.174830 0.158571 0.171386 0.190897 0.254695 0.227125 0.163147 0.175433 0.171327 0.163367 0.169590 0.174262 0.170394 0.165135 -0.00000 1.22337374e+00 -9.75443227e-01 1.43309270e-01 ./ancestor::cml:module[@dictRef='cc:finalization']/cml:molecule[@id='mol9999'] 3.1095 -2.4793 0.3643 3.9936 -206.8010 -220.4568 -166.7587 23.7531 22.1845 -2.7847 -8.7955 -22.4513 31.2468 23.7531 22.1845 -2.7847 315.8951 -140.7083 -55.2218 169.2462 -71.0833 -71.4478 17.0418 -23.0560 -39.3677 37.5545 -9752.3450 -5637.8602 -3085.0779 331.8766 91.8736 224.2183 135.4114 -40.4268 -23.9125 -2600.3543 -1903.7962 -1276.3225 -92.2384 82.9665 40.1841 (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A) (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A) (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A) (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(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 -6278.8028042 7.894E-9 3.143E-6 6.2772853,-0.8193217,-5.4579636,-17.9267807,25.4395835,3.9064479 C01 [X(C22H19Br2N1O3)] -1.346398 -0.3790266 0.7156965 -0.000001610 -0.000001227 -0.000000360 -0.000001416 -0.000001618 -0.000000989 0.000002097 0.000001232 -0.000006791 -0.000006356 -0.000005226 -0.000000052 0.000002467 0.000004291 0.000001733 -0.000000410 0.000001469 0.000004598 0.000006696 -0.000006058 -0.000003762 -0.000001473 0.000003347 -0.000001730 -0.000016592 0.000000911 0.000005323 -0.000001991 -0.000001921 0.000000084 -0.000003856 0.000000099 -0.000000240 -0.000000942 -0.000004742 -0.000000017 0.000008939 0.000006816 0.000002518 -0.000002245 0.000000269 -0.000000903 -0.000006394 -0.000002220 0.000011933 0.000006125 0.000003646 0.000000456 -0.000000448 0.000004607 -0.000008664 0.000002808 0.000003980 0.000000354 -0.000000547 0.000001124 0.000001121 -0.000001421 -0.000005185 -0.000000461 0.000000535 0.000003932 0.000000625 0.000000317 0.000003067 0.000001697 0.000002391 -0.000003855 0.000001196 0.000000219 0.000000886 -0.000001615 0.000002393 0.000000316 0.000000729 0.000001606 -0.000001381 0.000001268 0.000002491 -0.000000515 0.000000092 0.000001052 -0.000002377 -0.000000501 0.000000581 -0.000000678 -0.000000624 0.000001879 0.000001158 -0.000001175 0.000000405 0.000000600 -0.000000801 -0.000000349 0.000000992 -0.000000602 -0.000000053 0.000000061 -0.000000838 -0.000002322 -0.000001884 -0.000001285 -0.000001759 -0.000001899 -0.000000770 -0.000001846 -0.000002323 -0.000000821 -0.000002541 -0.000000841 -0.000001525 -0.000001408 0.000003667 0.000000552 -0.000001215 -0.000001083 -0.000000644 0.000000212 0.000002374 0.000000940 0.000001349 0.000002726 0.000001744 0.000003261 0.000001597 0.000001258 0.000001929 -0.000001746 0.000000896 0.000002286 -0.000000538 -0.000000356 0.000001506 -0.000001498 -0.000001209 0.000001999 -0.000002252 -0.000000416 0.000001651 -0.000002099 -0.000001971 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:-1.0579,-.4847,2.3513;-3.2715,1.6964,3.1878;2.0668,1.1012,-.7609;2.6129,3.2774,-.9755;1.4337,-3.7864,-1.5619;4.0245,1.2084,-3.5498;-.7404,2.1503,-1.5874;-.6567,1.5933,-.1841;.3272,2.6876,-.6234;-.349,1.2324,-2.7293;-1.8384,3.1273,-1.9611;-1.6477,1.9091,.856;1.7669,2.4198,-.7996;-1.9322,1.1647,1.9243;3.4218,.6834,-1.0477;3.4674,-.8092,-.7924;3.7514,.9964,-2.4487;2.4668,-1.6034,-1.3519;4.4567,-1.3712,.0105;2.4302,-2.9604,-1.06;4.4326,-2.7472,.2531;3.4184,-3.546,-.2683;.1978,-3.1983,-1.8581;-.5189,-2.5293,-.8675;-.3018,-3.3314,-3.1472;-1.7537,-1.9704,-1.1842;-1.5476,-2.7779,-3.4505;-2.2718,-2.0932,-2.4752;-.217,.6065,-.1259;.1445,3.6915,-.2614;-1.2359,.7038,-3.0888;.3878,.488,-2.435;.0597,1.8161,-3.5595;-1.5416,3.6891,-2.8512;-2.0563,3.846,-1.17;-2.7576,2.5819,-2.1961;-2.2012,2.836,.7508;4.1239,1.218,-.4054;1.7099,-1.1604,-1.9832;5.2273,-.7464,.446;5.1977,-3.1969,.8749;3.3753,-4.6082,-.0599;-.0979,-2.4371,.1257;.2827,-3.8522,-3.896;-2.3104,-1.4369,-.4224;-1.9434,-2.8747,-4.455;-3.2319,-1.6536,-2.7187; Gaussian 16 GINC-CIBELES02 VALENTIN Optimization Deltamethrin-trans CONF41 water 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:-1.0579,-.4847,2.3513;-3.2715,1.6964,3.1878;2.0668,1.1012,-.7609;2.6129,3.2774,-.9755;1.4337,-3.7864,-1.5619;4.0245,1.2084,-3.5498;-.7404,2.1503,-1.5874;-.6567,1.5933,-.184;.3272,2.6876,-.6234;-.349,1.2324,-2.7293;-1.8384,3.1273,-1.9611;-1.6477,1.9091,.856;1.7669,2.4198,-.7996;-1.9322,1.1647,1.9243;3.4218,.6834,-1.0477;3.4674,-.8092,-.7924;3.7514,.9964,-2.4487;2.4668,-1.6034,-1.3519;4.4567,-1.3712,.0105;2.4302,-2.9604,-1.06;4.4326,-2.7472,.2531;3.4184,-3.546,-.2683;.1978,-3.1983,-1.8581;-.5189,-2.5293,-.8675;-.3018,-3.3314,-3.1472;-1.7537,-1.9704,-1.1842;-1.5476,-2.7779,-3.4505;-2.2718,-2.0932,-2.4752;-.217,.6065,-.1259;.1445,3.6915,-.2614;-1.2359,.7038,-3.0888;.3878,.488,-2.435;.0597,1.8161,-3.5595;-1.5416,3.6891,-2.8512;-2.0563,3.846,-1.17;-2.7576,2.5819,-2.1961;-2.2012,2.836,.7508;4.1239,1.218,-.4054;1.7099,-1.1604,-1.9832;5.2273,-.7464,.446;5.1977,-3.1969,.8749;3.3753,-4.6082,-.0599;-.0979,-2.4371,.1257;.2827,-3.8522,-3.896;-2.3104,-1.4369,-.4224;-1.9434,-2.8747,-4.455;-3.2319,-1.6536,-2.7187; Optimization Deltamethrin-trans CONF41 water 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/water/CONF41/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 1.915 1.9165 1.3528 1.4466 1.2174 1.3882 1.4003 1.1541 1.5121 1.5355 1.5165 1.5165 1.5357 1.4709 1.0819 1.475 1.0827 1.0933 1.0878 1.0941 1.0937 1.0908 1.0944 1.3327 1.0847 1.515 1.4729 1.0915 1.3946 1.3925 1.3886 1.0806 1.3974 1.0835 1.3951 1.3924 1.0836 1.0833 1.3938 1.3889 1.3919 1.0826 1.3966 1.0833 1.3965 1.0839 1.3944 1.0839 1.0836 calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|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 47 118.9095 117.3972 117.4875 120.4035 120.3362 115.6383 113.0342 122.6707 114.101 118.748 113.8892 115.5697 122.6936 114.647 122.0164 117.1892 111.9001 109.3207 112.6609 110.1703 107.915 108.1479 108.5019 109.5745 112.9852 109.8795 107.8178 108.0066 108.4361 126.203 117.3007 116.496 122.4614 112.9481 124.587 114.2661 124.2184 121.5122 106.2208 109.6863 110.1428 111.2797 111.3428 108.1652 118.1522 121.079 120.7421 119.4162 120.2333 120.3256 119.0333 120.2896 120.6749 121.6309 117.6394 120.7171 120.8234 119.7467 119.412 119.1896 119.5072 121.2978 120.3346 118.2633 121.3815 119.1556 119.5354 121.2979 118.9752 119.5786 121.4441 120.2777 119.5637 120.1585 120.3973 119.4407 120.1582 119.8063 120.0498 120.1434 calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|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 5 5 -1 -2 178.7601 calculate D2E/DX2 analytically|calculate D2E/DX2 analytically 178.5395 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 -5.218 174.1302 174.5732 -65.0612 53.8802 -27.1059 154.1801 -58.0219 123.6077 -141.8335 6.222 2.9216 150.9771 3.9738 145.4291 -137.6294 3.8258 91.3215 -28.6527 -149.9661 161.5405 41.5663 -79.7471 -55.938 -175.9122 62.7744 159.2635 39.0254 -82.2173 89.838 -30.4002 -151.6429 -54.5353 -174.7735 63.9839 135.0504 -9.6101 -6.337 -150.9975 155.6725 -24.5123 -132.7178 47.0974 8.0444 -172.1404 -60.6691 118.6628 10.6276 -170.0405 156.9497 -23.7184 1.5312 -179.1705 -178.2853 1.013 48.6051 -129.5315 -70.7231 111.1402 168.5205 -9.6161 -175.6115 2.5806 2.5317 -179.2762 177.9161 -1.5617 -0.1724 -179.6501 178.199 -3.1263 0.0086 178.6833 -1.6383 179.9051 177.8374 -0.6192 -179.9248 -0.7567 1.3489 -179.483 1.0603 -178.0924 179.522 0.3693 -179.0839 2.1112 -0.7652 -179.5701 178.5059 -2.0106 0.1534 179.6369 0.7118 -179.1694 179.4949 -0.3863 0.5157 179.8146 -178.9578 0.341 -0.0579 -179.7803 179.8226 0.1003 -0.5641 179.1579 -179.858 -0.1359 calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|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. -0.00009 0.00151 0.00178 0.00225 0.00236 0.00572 0.00885 0.01546 0.01703 0.01733 0.01734 0.01775 0.01801 0.01836 0.01883 0.01917 0.01933 0.02089 0.02125 0.02262 0.02264 0.02312 0.02401 0.02509 0.02647 0.02652 0.02739 0.02808 0.02926 0.02961 0.03011 0.03072 0.03565 0.03832 0.04343 0.04427 0.04542 0.04632 0.04666 0.05490 0.05877 0.06256 0.06441 0.06883 0.07926 0.09435 0.09703 0.10573 0.10635 0.10716 0.10861 0.11071 0.11424 0.11507 0.11722 0.11981 0.12084 0.12110 0.12279 0.12370 0.12469 0.12835 0.13603 0.13644 0.14404 0.14807 0.15623 0.15868 0.16457 0.17378 0.17642 0.18060 0.18171 0.18631 0.19027 0.19312 0.19425 0.19590 0.19863 0.20129 0.21039 0.22119 0.22271 0.22711 0.23770 0.24827 0.25741 0.28047 0.28197 0.28733 0.29224 0.29945 0.30441 0.31860 0.32799 0.33036 0.33118 0.33490 0.33508 0.33758 0.33979 0.34352 0.34647 0.35097 0.35526 0.35652 0.35665 0.35691 0.35815 0.35852 0.35888 0.35949 0.36030 0.36102 0.36119 0.36316 0.37005 0.37797 0.39452 0.40367 0.42086 0.42722 0.43395 0.45745 0.46183 0.46567 0.47097 0.49414 0.50401 0.51588 0.58224 0.62797 0.79274 0.93423 1.20741 Angle between quadratic step and forces= 85.91 degrees. 1 2 3 0.00410046 0.00000501 0.00000000 0.00000234 0.00000001 0.00000001 R1 R2 R3 R4 R5 R6 R7 R8 R9 R10 R11 R12 R13 R14 R15 R16 R17 R18 R19 R20 R21 R22 R23 R24 R25 R26 R27 R28 R29 R30 R31 R32 R33 R34 R35 R36 R37 R38 R39 R40 R41 R42 R43 R44 R45 R46 R47 R48 R49 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 3.61885 3.62167 2.55650 2.73377 2.30063 2.62335 2.64623 2.18091 2.85750 2.90168 2.86578 2.86571 2.90212 2.77969 2.04455 2.78726 2.04605 2.06598 2.05571 2.06762 2.06675 2.06132 2.06804 2.51846 2.04978 2.86287 2.78332 2.06265 2.63539 2.63143 2.62400 2.04207 2.64071 2.04750 2.63633 2.63120 2.04770 2.04716 2.63381 2.62466 2.63028 2.04580 2.63928 2.04718 2.63909 2.04834 2.63504 2.04834 2.04779 2.07536 2.04897 2.05054 2.10144 2.10026 2.01827 1.97282 2.14101 1.99144 2.07254 1.98774 2.01707 2.14141 2.00097 2.12959 2.04534 1.95302 1.90801 1.96630 1.92283 1.88347 1.88754 1.89372 1.91244 1.97196 1.91776 1.88178 1.88507 1.89257 2.20266 2.04728 2.03324 2.13736 1.97132 2.17445 1.99432 2.16802 2.12079 1.85390 1.91439 1.92236 1.94220 1.94330 1.88784 2.06214 2.11323 2.10735 2.08421 2.09847 2.10008 2.07752 2.09945 2.10617 2.12286 2.05319 2.10691 2.10877 2.08997 2.08413 2.08025 2.08579 2.11705 2.10023 2.06408 2.11851 2.07966 2.08629 2.11705 2.07651 2.08704 2.11960 2.09924 2.08678 2.09716 2.10133 2.08463 2.09716 2.09101 2.09526 2.09690 3.11995 3.11610 -0.09107 3.03914 3.04688 -1.13553 0.94039 -0.47309 2.69095 -1.01267 2.15736 -2.47546 0.10859 0.05099 2.63505 0.06936 2.53822 -2.40209 0.06677 1.59386 -0.50008 -2.61740 2.81941 0.72547 -1.39185 -0.97630 -3.07025 1.09562 2.77967 0.68112 -1.43496 1.56797 -0.53058 -2.64667 -0.95182 -3.05037 1.11673 2.35707 -0.16773 -0.11060 -2.63540 2.71700 -0.42782 -2.31636 0.82200 0.14040 -3.00442 -1.05888 2.07106 0.18549 -2.96777 2.73929 -0.41396 0.02672 -3.12712 -3.11167 0.01768 0.84832 -2.26075 -1.23435 1.93976 2.94124 -0.16783 -3.06500 0.04504 0.04419 -3.12896 3.10522 -0.02726 -0.00301 -3.13549 3.11016 -0.05456 0.00015 3.11861 -0.02859 3.13994 3.10385 -0.01081 -3.14028 -0.01321 0.02354 -3.13257 0.01851 -3.10830 3.13325 0.00645 -3.12560 0.03685 -0.01336 -3.13409 3.11552 -0.03509 0.00268 3.13526 0.01242 -3.12710 3.13278 -0.00674 0.00900 3.13836 -3.12340 0.00595 -0.00101 -3.13776 3.13850 0.00175 -0.00985 3.12690 -3.13911 -0.00237 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 0.00001 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 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 -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 -0.00001 -0.00000 -0.00001 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00003 0.00001 0.00012 0.00004 -0.00003 -0.00000 0.00001 -0.00000 0.00003 -0.00005 -0.00007 -0.00001 -0.00007 0.00004 0.00000 0.00012 0.00001 0.00002 -0.00001 -0.00000 -0.00001 0.00000 0.00001 -0.00001 -0.00001 0.00000 0.00002 0.00001 0.00002 0.00002 0.00004 -0.00005 -0.00001 0.00000 -0.00000 -0.00001 0.00000 0.00000 -0.00003 -0.00003 -0.00003 -0.00002 0.00002 0.00000 0.00003 0.00000 0.00001 -0.00000 0.00000 -0.00031 -0.00018 0.00013 -0.00014 -0.00004 0.00014 -0.00005 -0.00001 0.00007 -0.00011 0.00002 0.00001 0.00013 -0.00001 -0.00009 0.00012 -0.00010 0.00011 0.00001 -0.00014 0.00022 -0.00000 -0.00019 0.00004 0.00005 -0.00003 -0.00001 -0.00000 -0.00003 0.00007 -0.00002 -0.00005 -0.00005 0.00015 -0.00009 -0.00002 0.00002 0.00000 0.00039 -0.00016 -0.00009 0.00008 -0.00013 -0.00009 0.00029 -0.00021 -0.00007 0.00003 0.00022 -0.00026 0.00005 -0.00001 -0.00004 0.00002 -0.00003 0.00001 0.00001 -0.00001 0.00000 -0.00003 0.00003 -0.00000 -0.00017 0.00016 0.00002 0.00004 -0.00013 0.00009 -0.00004 0.00004 0.00000 -0.00006 0.00001 0.00005 0.00001 -0.00001 -0.00001 0.00002 0.00001 -0.00003 0.00013 0.00012 0.00094 0.00115 -0.00209 -0.00185 -0.00211 0.00200 0.00192 -0.00106 -0.00152 -0.00024 -0.00010 -0.00035 -0.00020 -0.00032 -0.00032 -0.00038 -0.00038 -0.00377 -0.00413 -0.00379 -0.00376 -0.00412 -0.00378 -0.00364 -0.00399 -0.00365 -0.00011 -0.00015 -0.00011 -0.00010 -0.00014 -0.00010 -0.00015 -0.00019 -0.00015 -0.00023 -0.00007 -0.00014 0.00002 0.00123 0.00099 0.00116 0.00092 0.00107 0.00083 -0.00162 -0.00140 -0.00156 -0.00134 -0.00165 -0.00143 -0.00015 -0.00024 0.00009 0.00000 0.00043 0.00019 0.00033 0.00010 0.00048 0.00024 -0.00036 -0.00030 -0.00013 -0.00007 0.00028 0.00021 0.00003 -0.00004 0.00005 0.00014 -0.00002 0.00006 0.00007 -0.00002 0.00013 0.00005 0.00004 0.00010 -0.00005 0.00002 -0.00006 -0.00012 0.00002 -0.00004 -0.00073 -0.00053 -0.00026 -0.00006 0.00060 0.00048 0.00014 0.00002 0.00015 0.00013 -0.00006 -0.00008 0.00008 0.00002 0.00021 0.00014 0.00007 -0.00003 0.00009 -0.00000 -0.00019 -0.00009 -0.00012 -0.00002 -0.00003 0.00001 0.00012 0.00004 -0.00003 -0.00000 0.00001 -0.00000 0.00003 -0.00005 -0.00007 -0.00001 -0.00007 0.00004 0.00000 0.00012 0.00001 0.00002 -0.00001 -0.00000 -0.00001 0.00000 0.00001 -0.00001 -0.00001 0.00000 0.00002 0.00001 0.00002 0.00002 0.00004 -0.00005 -0.00001 0.00000 -0.00000 -0.00001 0.00000 0.00000 -0.00003 -0.00003 -0.00003 -0.00002 0.00002 0.00000 0.00003 0.00000 0.00001 -0.00000 0.00000 -0.00031 -0.00018 0.00013 -0.00014 -0.00004 0.00014 -0.00005 -0.00001 0.00007 -0.00011 0.00002 0.00001 0.00013 -0.00001 -0.00009 0.00012 -0.00010 0.00011 0.00001 -0.00014 0.00022 0.00000 -0.00019 0.00004 0.00005 -0.00003 -0.00001 -0.00000 -0.00003 0.00007 -0.00002 -0.00005 -0.00005 0.00015 -0.00009 -0.00002 0.00002 0.00000 0.00039 -0.00016 -0.00009 0.00008 -0.00013 -0.00009 0.00029 -0.00021 -0.00007 0.00003 0.00022 -0.00026 0.00005 -0.00001 -0.00004 0.00002 -0.00003 0.00001 0.00001 -0.00001 0.00000 -0.00003 0.00003 -0.00000 -0.00017 0.00016 0.00002 0.00004 -0.00013 0.00009 -0.00004 0.00004 0.00000 -0.00006 0.00001 0.00005 0.00001 -0.00001 -0.00001 0.00002 0.00001 -0.00003 0.00013 0.00012 0.00094 0.00115 -0.00209 -0.00185 -0.00211 0.00200 0.00192 -0.00106 -0.00152 -0.00024 -0.00010 -0.00035 -0.00020 -0.00032 -0.00032 -0.00038 -0.00038 -0.00377 -0.00413 -0.00379 -0.00376 -0.00412 -0.00378 -0.00364 -0.00399 -0.00365 -0.00011 -0.00015 -0.00011 -0.00010 -0.00014 -0.00010 -0.00015 -0.00019 -0.00015 -0.00023 -0.00007 -0.00014 0.00002 0.00123 0.00099 0.00116 0.00092 0.00107 0.00083 -0.00162 -0.00140 -0.00156 -0.00134 -0.00165 -0.00143 -0.00015 -0.00024 0.00009 0.00000 0.00043 0.00019 0.00033 0.00010 0.00048 0.00024 -0.00036 -0.00030 -0.00013 -0.00007 0.00028 0.00021 0.00003 -0.00004 0.00005 0.00014 -0.00002 0.00006 0.00007 -0.00002 0.00013 0.00005 0.00004 0.00010 -0.00005 0.00002 -0.00006 -0.00012 0.00002 -0.00004 -0.00073 -0.00053 -0.00026 -0.00006 0.00060 0.00048 0.00014 0.00002 0.00015 0.00013 -0.00006 -0.00008 0.00008 0.00002 0.00021 0.00014 0.00007 -0.00003 0.00009 -0.00000 -0.00019 -0.00009 -0.00012 -0.00002 3.61882 3.62168 2.55662 2.73380 2.30059 2.62335 2.64624 2.18091 2.85753 2.90163 2.86571 2.86570 2.90205 2.77973 2.04455 2.78738 2.04606 2.06601 2.05570 2.06762 2.06674 2.06133 2.06805 2.51845 2.04977 2.86287 2.78334 2.06266 2.63541 2.63145 2.62404 2.04201 2.64070 2.04750 2.63633 2.63119 2.04770 2.04716 2.63378 2.62463 2.63025 2.04578 2.63930 2.04718 2.63912 2.04834 2.63504 2.04834 2.04779 2.07505 2.04879 2.05067 2.10130 2.10022 2.01840 1.97277 2.14099 1.99151 2.07244 1.98776 2.01709 2.14154 2.00096 2.12949 2.04545 1.95293 1.90812 1.96631 1.92269 1.88369 1.88754 1.89353 1.91247 1.97201 1.91773 1.88176 1.88507 1.89253 2.20273 2.04726 2.03319 2.13730 1.97147 2.17436 1.99430 2.16804 2.12079 1.85429 1.91423 1.92226 1.94228 1.94316 1.88775 2.06243 2.11302 2.10727 2.08424 2.09869 2.09982 2.07757 2.09944 2.10614 2.12288 2.05317 2.10692 2.10878 2.08996 2.08414 2.08023 2.08582 2.11704 2.10007 2.06424 2.11853 2.07970 2.08615 2.11713 2.07647 2.08708 2.11960 2.09918 2.08679 2.09721 2.10134 2.08463 2.09715 2.09103 2.09527 2.09687 3.12008 3.11623 -0.09014 3.04029 3.04479 -1.13738 0.93827 -0.47109 2.69287 -1.01374 2.15584 -2.47571 0.10850 0.05065 2.63485 0.06904 2.53790 -2.40247 0.06639 1.59009 -0.50421 -2.62119 2.81566 0.72135 -1.39563 -0.97994 -3.07424 1.09196 2.77956 0.68097 -1.43508 1.56787 -0.53073 -2.64677 -0.95197 -3.05056 1.11657 2.35684 -0.16780 -0.11074 -2.63538 2.71823 -0.42683 -2.31520 0.82292 0.14147 -3.00359 -1.06050 2.06966 0.18392 -2.96911 2.73764 -0.41539 0.02657 -3.12736 -3.11158 0.01768 0.84874 -2.26056 -1.23402 1.93986 2.94172 -0.16759 -3.06536 0.04474 0.04406 -3.12903 3.10550 -0.02705 -0.00298 -3.13553 3.11021 -0.05443 0.00013 3.11868 -0.02853 3.13992 3.10398 -0.01075 -3.14024 -0.01311 0.02350 -3.13255 0.01845 -3.10842 3.13327 0.00640 -3.12634 0.03631 -0.01361 -3.13415 3.11612 -0.03461 0.00282 3.13527 0.01257 -3.12697 3.13272 -0.00682 0.00908 3.13837 -3.12319 0.00610 -0.00094 -3.13779 3.13859 0.00175 -0.01003 3.12681 -3.13924 -0.00240 |Maximum Force|RMS Force|Maximum Displacement|RMS Displacement| 0.000007 0.000002 0.015357 0.004101 0.000450 0.000300 0.001800 0.001200 YES YES NO NO -2.945399e-08 6-311+G(d,p) (5D, 7F) 0.10000e-02 0.10000e-05 F 814 A 782 A 782 1276 814 126 126 3688.4211267568 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 -0.0620417751 PCM SMD-Coulomb. Total charges None Matrix inversion Water 78.355300 1.777849 0.000000 3.218215 0.000000 4.686563 6.666617 0.000000 6.220538 7.379628 2.253961 0.000000 5.693995 8.646315 4.993062 7.185534 0.000000 7.969900 9.943079 3.409104 3.591697 5.967631 0.000000 4.749366 5.423547 3.108676 3.590201 6.322293 5.238553 0.000000 3.302532 4.268185 2.827035 3.762019 5.933725 5.778379 1.512124 0.000000 4.563996 5.334640 2.358317 2.386691 6.634558 4.941824 1.535502 1.535735 0.000000 5.409473 6.615772 3.118895 4.003867 5.452376 4.449848 1.516505 2.589041 2.647598 0.000000 5.679024 5.532841 4.560213 4.561567 7.659258 6.370179 1.516469 2.628155 2.583120 2.529653 0.000000 2.883365 2.849404 4.130963 4.835279 6.912297 7.216397 2.617549 1.470948 2.587495 3.872867 3.075097 0.000000 5.132549 6.465922 1.352842 1.217440 6.261709 3.758689 2.641949 2.633581 1.474954 3.100135 3.853270 3.829064 0.000000 1.915011 1.916503 4.817244 5.790498 6.927882 8.090062 3.837074 2.501112 3.730203 4.915935 4.353853 1.332711 4.762122 0.000000 5.743217 7.985334 1.446647 2.718162 4.918924 2.626633 4.445953 4.267023 3.711202 4.165015 5.871592 5.552160 2.411469 6.142402 0.000000 5.519604 8.217834 2.369032 4.179009 3.686718 3.461847 5.205402 4.811468 4.702858 4.741755 6.709162 6.022562 3.649407 6.358636 1.514963 0.000000 6.954303 9.032260 2.386980 2.944457 5.388247 1.154089 4.716983 4.991626 4.232878 4.116761 6.002029 6.395727 2.946879 7.173182 1.472867 2.466587 0.000000 5.233372 8.026550 2.797113 4.897457 2.424279 3.894018 4.942846 4.619401 4.849839 4.226972 6.425323 5.843114 4.120779 6.143839 2.496728 1.394590 3.100287 0.000000 6.056002 8.901106 3.524086 5.097163 4.176583 4.417766 6.477906 5.913734 5.824748 6.113814 7.984386 6.981331 4.718315 7.135178 2.532223 1.392491 3.485713 2.422657 0.000000 5.471095 8.499373 4.088779 6.241086 1.388219 5.110775 6.037396 5.570694 6.042613 5.299954 7.489492 6.634240 5.427207 6.704720 3.776334 2.403161 4.396604 1.388562 2.788924 0.000000 6.298157 9.365421 4.629830 6.412208 3.656241 5.502315 7.357501 6.703134 6.867259 6.898924 8.873397 7.682148 5.908618 7.655498 3.805633 2.404266 4.666678 2.783654 1.397401 2.404092 0.000000 6.022536 9.175079 4.864740 6.907078 2.381238 5.808606 7.175177 6.559407 6.966991 6.563690 8.662071 7.529148 6.212913 7.458361 4.300598 2.786944 5.049541 2.419375 2.425975 1.395086 1.392370 0.000000 5.163257 7.839353 4.814840 6.967585 1.400325 6.076611 5.437036 5.147082 6.015429 4.548509 6.646044 6.071106 5.928417 6.154615 5.110617 4.187367 5.529248 2.819342 4.996774 2.382669 4.753389 3.608403 0.000000 3.851131 6.471373 4.458386 6.598305 2.423813 6.465882 4.739808 4.181138 5.290676 4.200603 5.910468 4.893270 5.451878 4.841177 5.087472 4.342213 5.758985 3.163291 5.183417 2.986637 5.081414 4.110340 1.393753 0.000000 6.237684 8.615730 5.563487 7.542464 2.394140 6.284041 5.716199 5.758423 6.556982 4.583134 6.744115 6.730580 6.547337 6.970899 5.864399 5.110127 5.970432 3.724846 6.037864 3.457957 5.858166 4.708884 1.388908 2.426454 0.000000 3.897555 5.904555 4.920305 6.830089 3.687737 7.006287 4.262551 3.860536 5.132388 3.823344 5.157222 4.384547 5.640591 4.418531 5.817738 5.362965 6.380164 4.239729 6.352490 4.301183 6.398401 5.483754 2.402104 1.391884 2.795311 0.000000 6.257725 8.188912 5.945161 7.752590 3.670443 6.851955 5.330092 5.529100 6.432662 4.247226 6.097035 6.365850 6.710417 6.676838 6.515254 6.007654 6.582439 4.679704 7.071668 4.644438 7.034311 5.947930 2.399815 2.791448 1.396649 2.414668 0.000000 5.230305 6.887006 5.653904 7.413098 4.175112 7.190238 4.597958 4.631301 5.748111 3.849867 5.263655 5.244567 6.283862 5.484998 6.493403 6.117147 6.769482 4.894561 7.209187 4.986358 7.267833 6.273727 2.775087 2.418224 2.421946 1.396545 1.394402 0.000000 2.834410 4.636647 2.421515 3.983019 4.907523 5.484147 2.189340 1.081928 2.207897 2.680794 3.514408 2.169801 2.770942 2.730680 3.754521 4.002919 4.614761 3.686379 5.076709 4.539049 5.745419 5.520818 4.201062 3.236338 4.964104 3.181407 4.927187 4.126722 0.000000 5.070699 5.248481 3.264112 2.602770 7.698843 5.659819 2.217360 2.247291 1.082723 3.518744 2.671923 2.763648 2.130512 3.933735 4.517456 5.619607 5.005800 5.883712 6.655779 7.078868 7.753013 7.943536 7.072649 6.285364 7.605856 6.042509 7.408580 6.648558 3.109127 0.000000 5.571183 6.672676 4.060115 5.089497 5.442416 5.304625 2.142921 3.092602 3.529444 1.093270 2.740053 4.145333 4.147541 5.082101 5.085278 5.448276 5.036738 4.695754 6.805596 5.566207 7.430339 6.904952 4.335531 3.987630 4.142377 3.323681 3.514283 3.045174 3.134673 4.338917 0.000000 5.093566 6.816643 2.448996 3.855143 4.486322 3.871363 2.180448 2.716494 2.850210 1.087834 3.485089 4.122336 2.882433 4.984311 3.341817 3.723600 3.401868 3.141603 5.098326 4.237215 5.835551 5.491152 3.736091 3.519019 3.946032 3.492021 3.929799 3.706502 2.389933 3.878930 1.763601 0.000000 6.440476 7.525804 3.517317 3.915524 6.104641 4.011093 2.154340 3.457824 3.074381 1.094135 2.806565 4.735072 3.300933 5.870571 4.346877 5.114843 3.941393 4.728723 6.498984 5.889146 7.381214 7.131977 5.297066 5.144369 5.176712 4.823722 4.868322 4.679221 3.650958 3.794979 1.771306 1.770854 0.000000 6.687301 6.590429 4.907837 4.576877 8.148439 6.133736 2.146421 3.505591 3.075512 2.733614 1.093676 4.113800 4.094700 5.415739 6.076298 7.040116 5.952193 6.806271 8.353110 7.949790 9.314157 9.144344 7.172740 6.606756 7.135292 5.903696 6.494665 5.840366 4.322548 3.090368 3.010262 3.760612 2.563913 0.000000 5.670222 5.008849 4.970085 4.707782 8.401643 7.042498 2.186646 2.829490 2.705963 3.489650 1.090805 2.832592 4.097408 4.096273 6.326678 7.233651 6.594379 7.084361 8.428063 8.152854 9.359628 9.242730 7.428174 6.565067 7.648787 5.824325 7.023934 6.084821 3.868877 2.386078 3.772042 4.341657 3.782557 1.765239 0.000000 5.742064 5.480400 5.246608 5.551223 7.650117 7.050946 2.150803 3.072381 3.464203 2.811953 1.094362 3.316595 4.737914 4.434740 6.565633 7.226395 6.704119 6.747147 8.517126 7.676029 9.278867 8.911265 6.500771 5.735987 6.473304 4.770268 5.636056 4.708622 3.826567 3.660139 2.576777 3.786130 3.222208 1.770233 1.772713 0.000000 3.859477 2.895394 4.848765 5.133272 7.900454 7.739731 2.841000 2.191772 2.881541 4.256006 2.751514 1.084694 4.280514 2.059741 6.283796 6.913914 7.003922 6.776430 7.910477 7.637266 8.684896 8.564385 6.998231 5.851136 7.539247 5.200624 7.042339 5.891547 3.110721 2.694194 4.496754 4.729205 4.973011 3.760013 2.175046 3.009736 0.000000 6.111317 8.235953 2.090859 2.617122 5.798132 3.146016 5.091897 4.800353 4.076986 5.040551 6.450883 5.948125 2.674882 6.488886 1.091508 2.165675 2.088808 3.406114 2.643377 4.555880 4.031276 4.817852 6.085081 5.984189 6.913826 6.731828 7.576654 7.493555 4.392652 4.687677 6.016001 4.314012 5.179163 6.647252 6.759177 7.240279 6.630313 0.000000 5.186971 7.727548 2.595414 4.639545 2.673866 3.663751 4.137806 4.052239 4.309069 3.243597 5.565513 5.362545 3.771239 5.825744 2.684253 2.151800 3.006032 1.080615 3.400562 2.147343 3.864233 3.398646 2.540709 2.843598 3.180402 3.645630 3.921815 4.119019 3.206930 5.381109 3.657233 2.160919 3.750694 5.902805 6.317467 5.831717 6.224396 3.738129 0.000000 6.572816 9.258204 3.854801 5.004729 5.259722 4.608140 6.938258 6.363396 6.078420 6.715155 8.409740 7.381496 4.852941 7.556202 2.745154 2.152886 3.687165 3.403977 1.083488 3.872174 2.161373 3.408782 6.051176 6.158123 7.082660 7.272523 8.075247 8.159942 5.639001 6.784596 7.508086 5.765900 7.022481 8.738640 8.760956 9.045315 8.252855 2.408614 4.294743 0.000000 6.976209 10.050875 5.563438 7.212590 4.522551 6.353057 8.361574 7.638116 7.784163 7.960770 9.876422 8.539976 6.791255 8.423756 4.680499 3.387455 5.542696 3.867242 2.151633 3.385120 1.083598 2.143537 5.698099 6.013382 6.814658 7.352917 8.023988 8.260458 6.692239 8.618320 8.503966 6.904324 8.437610 10.330455 10.315300 10.301077 9.547487 4.720491 4.947812 2.487843 0.000000 6.516874 9.719795 5.899180 7.975093 2.588651 6.814245 8.059083 7.398004 7.926935 7.423437 9.520170 8.279159 7.247512 8.089027 5.383190 3.870052 6.103997 3.394613 3.413557 2.146756 2.163194 1.083309 3.913756 4.487576 4.968099 5.876034 6.251497 6.636895 6.332558 8.908600 7.658607 6.366936 8.031940 10.040487 10.109827 9.688805 9.336506 5.884193 4.284818 4.312647 2.487350 0.000000 3.112349 6.044329 4.241614 6.420032 2.648417 6.617642 4.938751 4.080718 5.196548 4.656008 6.192382 4.671694 5.284234 4.424088 4.847935 4.025486 5.764846 3.075096 4.679064 2.840986 4.542967 3.708041 2.145268 1.082591 3.398959 2.162156 3.873847 3.407138 3.056239 6.145593 4.636029 3.917826 5.629850 6.962461 6.707597 6.136347 5.711423 5.609367 3.057026 5.596351 5.402064 4.100145 0.000000 7.222627 9.674740 6.127670 8.049331 2.603359 6.303298 6.512075 6.656978 7.313118 5.254846 7.546958 7.713736 7.150499 7.996969 6.207944 5.388431 6.134806 4.037412 6.232044 3.667439 5.971514 4.804889 2.141979 3.400722 1.083321 3.878412 2.168593 3.411493 5.860336 8.374851 4.869839 4.580800 5.682740 7.828851 8.495035 7.316531 8.514465 7.255799 3.597468 7.276600 6.881067 4.985141 4.280371 0.000000 3.188886 4.875982 5.071157 6.838899 4.564709 7.543869 4.085386 3.460378 4.899936 4.036586 4.839658 3.642741 5.625087 3.524007 6.143690 5.823619 6.839079 4.869696 6.781243 5.020084 6.902338 6.106685 3.384514 2.144999 3.879221 1.083933 3.398434 2.155518 2.940364 5.688038 3.584258 3.877693 5.103090 5.724188 5.341660 4.415550 4.432471 6.960541 4.321530 7.618972 7.820005 6.520390 2.489151 4.962265 0.000000 7.267802 9.003947 6.747935 8.409213 4.539326 7.287422 5.909374 6.313426 7.125694 4.731574 6.500314 7.153925 7.426957 7.550598 7.283785 6.852519 7.172206 5.540319 7.947366 5.537227 7.926901 6.835730 3.381286 3.875377 2.147965 3.398774 1.083935 2.153587 5.817153 8.066005 3.895196 4.563149 5.178613 6.768772 7.481420 5.961555 7.731705 8.364230 4.732286 8.942464 8.916626 7.114035 4.957740 2.494643 4.296903 0.000000 5.638911 6.790535 6.284719 7.843202 5.258737 7.844569 4.685858 4.857865 5.991979 4.079230 5.037150 5.289728 6.727853 5.584753 7.247396 7.021704 7.474085 5.860558 8.163442 6.043025 8.292930 7.335662 3.858698 3.399159 3.403577 2.154123 2.153186 1.083641 4.573830 6.783003 3.111008 4.215352 4.856018 5.605276 5.833228 4.293942 5.766904 8.228291 5.020500 9.077260 9.292667 7.710592 4.304170 4.309552 2.483742 2.483128 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:2.0415,-1.2548,-1.4112;5.0015,-.2515,-.6442;-1.3102,1.8892,-.4919;-.9456,4.1126,-.4296;-3.2685,-2.6679,.0819;-4.2309,3.1901,.691;.7095,1.9088,1.8712;1.195,1.2041,.6245;.6781,2.6468,.525;-.5765,1.4099,2.5013;1.7012,2.4402,2.8879;2.6189,.9431,.3634;-.5785,2.9809,-.1713;3.1129,-.0176,-.417;-2.6266,2.0727,-1.0631;-3.124,.6903,-1.4327;-3.5115,2.7126,-.0748;-3.023,-.3222,-.4789;-3.6321,.4246,-2.7017;-3.3854,-1.6186,-.8195;-4.0384,-.8762,-3.0109;-3.9084,-1.9043,-2.0809;-2.291,-2.5555,1.0783;-.9516,-2.3823,.734;-2.6896,-2.6559,2.405;.0021,-2.2927,1.7439;-1.7226,-2.5776,3.4097;-.3798,-2.3906,3.0836;.5063,.4643,.2386;1.4174,3.4312,.4228;-.3409,.6497,3.2509;-1.254,.9654,1.7755;-1.0953,2.2329,3.002;1.2222,3.2104,3.4991;2.5868,2.8815,2.4287;2.0222,1.6321,3.5523;3.3406,1.5927,.847;-2.5692,2.7215,-1.939;-2.6384,-.1043,.5071;-3.702,1.2155,-3.4389;-4.4369,-1.0955,-3.9944;-4.1924,-2.9213,-2.3229;-.675,-2.3006,-.3095;-3.7393,-2.7843,2.6397;1.0439,-2.1445,1.484;-2.0257,-2.652,4.4477;.3652,-2.3168,3.867; 0.1642523 0.0884370 0.0801056 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= 1.15D-06 NBF= 782 NBsUse= 780 1.00D-06 EigRej= 7.88D-07 NBFU= 780 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= 798 798 798 798 798 MxSgAt= 47 MxSgA2= 47. 1 Closed 1 1 1 -6278.80280422149 -6278.80280422 1 6.267796169581e+03 -2.231158292746e+04 6.076610282077e+03 Using DIIS extrapolation, IDIIS= 1040. NGot= 2831155200 LenX= 2829808344 LenY= 2829144934 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= 78.3553, EpsInf= 1.7778) 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. 14567 words used for storage of precomputed grid. Two-electron integrals replicated using symmetry. MDV= 2831155200 using IRadAn= 1. Solving linear equations simultaneously, MaxMat= 384. FoF2E skips out because all densities are zero. CalDSu exits because no D1Ps are significant. FoFJK: IHMeth= 1 ICntrl= 0 DoSepK=F KAlg= 0 I1Cent= 0 FoldK=F IRaf= 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= 8.24D-14 1.00D-09 XBig12= 3.38D+02 5.51D+00. AX will form 141 AO Fock derivatives at one time. 141 vectors produced by pass 1 Test12= 8.24D-14 1.00D-09 XBig12= 5.33D+01 8.92D-01. 141 vectors produced by pass 2 Test12= 8.24D-14 1.00D-09 XBig12= 1.72D+00 1.28D-01. 141 vectors produced by pass 3 Test12= 8.24D-14 1.00D-09 XBig12= 1.71D-02 8.63D-03. 141 vectors produced by pass 4 Test12= 8.24D-14 1.00D-09 XBig12= 6.25D-05 4.60D-04. 134 vectors produced by pass 5 Test12= 8.24D-14 1.00D-09 XBig12= 1.22D-07 1.95D-05. 59 vectors produced by pass 6 Test12= 8.24D-14 1.00D-09 XBig12= 2.17D-10 9.85D-07. 3 vectors produced by pass 7 Test12= 8.24D-14 1.00D-09 XBig12= 4.28D-13 4.42D-08. 1 vectors produced by pass 8 Test12= 8.24D-14 1.00D-09 XBig12= 9.54D-16 2.16D-09. InvSVY: IOpt=1 It= 1 EMax= 2.84D-14 Solved reduced A of dimension 902 with 144 vectors. FullF1: Do perturbations 1 to 3. Isotropic polarizability for W= 0.000000 442.18 Bohr**3. End of Minotr F.D. properties file 721 does not exist. 445.638 -8.699 422.297 23.505 16.525 458.616 472.774 -4.532 455.187 17.059 23.055 493.751 (Enter /usr/local/gaussian/gaussian16/g16/l716.exe) PT130293.300S 2023-05-21T05:58:09.000 -482.84826 -482.84580 -62.50101 -62.49850 -56.32148 -56.31903 -56.31744 -56.31731 -56.31490 -56.31482 -19.19318 -19.17331 -19.13365 -14.33609 -10.32673 -10.29205 -10.27793 -10.24954 -10.24214 -10.23592 -10.21022 -10.20708 -10.20488 -10.20149 -10.20116 -10.18651 -10.18534 -10.18410 -10.18403 -10.18209 -10.18154 -10.18141 -10.18035 -10.17670 -10.16070 -10.15788 -8.71069 -8.70811 -6.54242 -6.53999 -6.52901 -6.52871 -6.52627 -6.52614 -2.65328 -2.65081 -2.64946 -2.64926 -2.64687 -2.64679 -2.63860 -2.63860 -2.63589 -2.63589 -1.13439 -1.08743 -1.04549 -0.93552 -0.90146 -0.88129 -0.86647 -0.86350 -0.81735 -0.79015 -0.77121 -0.76540 -0.75838 -0.75368 -0.73983 -0.72712 -0.69362 -0.67300 -0.64697 -0.62698 -0.62151 -0.61452 -0.59511 -0.57955 -0.55986 -0.55186 -0.54601 -0.52016 -0.50792 -0.50388 -0.49549 -0.48479 -0.48176 -0.47923 -0.47483 -0.46005 -0.45464 -0.44881 -0.44296 -0.43322 -0.43116 -0.42327 -0.41956 -0.41490 -0.40751 -0.40254 -0.39803 -0.39337 -0.38612 -0.38293 -0.38215 -0.37767 -0.37475 -0.37204 -0.36727 -0.36441 -0.35804 -0.35047 -0.34608 -0.33867 -0.33671 -0.33100 -0.32131 -0.30843 -0.30799 -0.29607 -0.28785 -0.27294 -0.26587 -0.26343 -0.24560 -0.23798 -0.05250 -0.04539 -0.03771 -0.02700 -0.02170 -0.01478 -0.01308 -0.00742 -0.00061 0.00120 0.00625 0.01253 0.01526 0.01936 0.02551 0.02972 0.03324 0.03348 0.03599 0.04218 0.04462 0.05054 0.05112 0.05287 0.05480 0.05823 0.06285 0.06712 0.06949 0.07225 0.07538 0.07742 0.08160 0.08495 0.08775 0.09008 0.09195 0.09444 0.09795 0.09977 0.10140 0.10528 0.10737 0.10920 0.11122 0.11383 0.11713 0.11984 0.12215 0.12440 0.13045 0.13103 0.13313 0.13665 0.13932 0.14091 0.14352 0.14581 0.14929 0.15230 0.15547 0.15822 0.16093 0.16202 0.16423 0.16635 0.16848 0.16990 0.17734 0.17833 0.17979 0.18150 0.18405 0.18640 0.18741 0.18870 0.19381 0.19825 0.19905 0.20307 0.20395 0.20489 0.20884 0.21116 0.21322 0.21462 0.21562 0.22141 0.22199 0.22311 0.22480 0.22658 0.22761 0.23193 0.23267 0.23455 0.23552 0.23823 0.24245 0.24374 0.24402 0.24807 0.24871 0.25178 0.25247 0.25689 0.25950 0.26233 0.26460 0.26703 0.26838 0.26947 0.27071 0.27210 0.27440 0.28000 0.28214 0.28446 0.28766 0.29252 0.29499 0.29551 0.30035 0.30311 0.30619 0.30948 0.31187 0.31457 0.31809 0.32070 0.32485 0.32662 0.33016 0.33449 0.33806 0.33930 0.34085 0.34384 0.34694 0.34909 0.35588 0.35745 0.35876 0.36429 0.36626 0.36955 0.37428 0.37716 0.38353 0.38709 0.38979 0.39488 0.40026 0.40604 0.40687 0.41653 0.41837 0.42504 0.43286 0.43413 0.43666 0.44404 0.45118 0.45503 0.46004 0.46380 0.46951 0.47593 0.48722 0.49349 0.49845 0.50141 0.50713 0.51873 0.52638 0.53397 0.53639 0.54022 0.54308 0.55363 0.55775 0.56191 0.56823 0.56910 0.57156 0.57447 0.57780 0.58129 0.58894 0.59338 0.59638 0.60143 0.60733 0.61673 0.62059 0.62259 0.62675 0.63175 0.63337 0.63562 0.63865 0.64524 0.64932 0.65247 0.65619 0.66168 0.66331 0.66911 0.67060 0.67526 0.67752 0.67951 0.68164 0.68623 0.68997 0.69394 0.69730 0.70149 0.70361 0.70589 0.70883 0.71180 0.71345 0.71502 0.71946 0.73155 0.73389 0.73615 0.74362 0.74497 0.74767 0.75199 0.75352 0.75650 0.76352 0.76799 0.76939 0.77779 0.78289 0.78337 0.78721 0.78947 0.79502 0.79873 0.80727 0.81273 0.82006 0.82685 0.82895 0.83051 0.83710 0.84117 0.84397 0.85118 0.85566 0.86115 0.86435 0.87233 0.87589 0.88040 0.89092 0.89836 0.90865 0.91091 0.91592 0.92261 0.92766 0.93224 0.93574 0.93845 0.94839 0.95361 0.95479 0.96229 0.96934 0.97345 0.98391 0.98683 1.00086 1.00251 1.00454 1.01225 1.01538 1.03092 1.03996 1.04392 1.05769 1.05994 1.06525 1.06930 1.07490 1.07930 1.08191 1.09072 1.10325 1.10914 1.12167 1.12926 1.14199 1.14488 1.15052 1.15979 1.16773 1.17107 1.17771 1.18758 1.19454 1.20141 1.20616 1.21906 1.22394 1.25046 1.26182 1.28785 1.29303 1.30734 1.31780 1.32677 1.32901 1.33346 1.35384 1.37181 1.38248 1.39698 1.39736 1.40179 1.41902 1.42367 1.43598 1.44851 1.45543 1.47392 1.47486 1.48356 1.49318 1.50956 1.51649 1.52314 1.53032 1.53365 1.53592 1.54612 1.55060 1.55372 1.55881 1.56515 1.56660 1.57196 1.57684 1.58769 1.59089 1.60443 1.61065 1.61735 1.62091 1.62440 1.62754 1.63714 1.64492 1.65073 1.66350 1.66375 1.67820 1.68357 1.68519 1.68861 1.69452 1.69864 1.70933 1.71911 1.72812 1.73292 1.73855 1.74862 1.75588 1.75718 1.76731 1.77390 1.78160 1.78822 1.79715 1.79859 1.81115 1.81928 1.82346 1.83796 1.84042 1.84438 1.85355 1.86083 1.87537 1.88249 1.89010 1.90189 1.91068 1.91321 1.92534 1.92916 1.93127 1.93873 1.94355 1.95759 1.96168 1.96963 1.97839 1.98443 1.99476 1.99900 2.00323 2.00769 2.01496 2.02141 2.02476 2.02739 2.03575 2.04358 2.04703 2.05305 2.05525 2.06241 2.07604 2.08311 2.09051 2.09115 2.09745 2.10266 2.10436 2.11305 2.12812 2.13326 2.14804 2.15893 2.17950 2.18566 2.19468 2.21207 2.21771 2.23217 2.23672 2.25189 2.25523 2.26524 2.27269 2.28571 2.31997 2.33654 2.33961 2.34831 2.35870 2.39145 2.40382 2.41019 2.42191 2.42609 2.43587 2.46615 2.47251 2.48329 2.48935 2.49080 2.50718 2.51572 2.53305 2.54433 2.55302 2.57870 2.58190 2.58476 2.60744 2.62422 2.64019 2.65147 2.65737 2.66331 2.67283 2.68721 2.69379 2.69857 2.71452 2.71998 2.72740 2.73279 2.74237 2.75037 2.75370 2.75887 2.76896 2.77180 2.77436 2.78258 2.78549 2.78808 2.80013 2.80512 2.80781 2.81446 2.82170 2.83345 2.83352 2.83890 2.84958 2.86106 2.86481 2.87541 2.88726 2.89522 2.89717 2.90336 2.90719 2.92882 2.93720 2.94092 2.95085 2.96298 2.96935 2.97358 2.98664 2.99511 3.00901 3.01742 3.02706 3.04908 3.05524 3.07139 3.08267 3.09718 3.10671 3.10931 3.12059 3.14285 3.15255 3.16155 3.17072 3.17278 3.18711 3.20159 3.22299 3.24215 3.25112 3.25941 3.27256 3.29042 3.33117 3.34361 3.36099 3.38003 3.38173 3.39811 3.41733 3.43549 3.45061 3.52580 3.54764 3.55544 3.58079 3.59243 3.62906 3.65419 3.66345 3.67584 3.70762 3.71574 3.73244 3.76629 3.81355 3.83743 3.85664 3.86606 3.89602 3.94982 3.99586 4.00753 4.01777 4.02330 4.03715 4.09095 4.12496 4.13918 4.14398 4.15252 4.15727 4.17007 4.17223 4.18130 4.18263 4.19432 4.20967 4.22155 4.23958 4.24892 4.26283 4.31844 4.36214 4.39956 4.52970 4.54254 4.56440 4.58063 4.65455 4.84066 4.85175 5.09846 5.13231 5.15562 5.23501 5.42990 5.44241 5.64970 5.86298 5.87646 6.71506 6.78486 7.56339 7.58848 7.60587 7.65645 7.71586 7.75907 23.54279 23.59862 23.63023 23.78087 23.80809 23.86096 23.88819 23.94499 23.95533 23.96779 23.98112 23.99323 24.01446 24.02651 24.07068 24.07864 24.09328 24.09961 24.18065 24.19216 24.19583 24.34414 35.86906 47.97390 48.03619 49.93495 49.98373 50.00977 289.76003 289.78435 289.80005 289.86149 289.93307 289.972431020 .776811020 .85492 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 -0.062855 -0.012933 0.140587 -0.327786 -0.023760 -0.349100 0.008995 0.880604 -0.488621 -0.519499 -0.414945 -0.712943 -0.058430 -0.053101 0.329174 0.701716 -0.416353 0.947225 -0.481395 -0.833817 -0.218025 -0.615415 -0.615186 0.122455 -0.230029 0.376898 -0.053621 -0.440895 0.190936 0.209022 0.177580 0.140757 0.172598 0.174830 0.158571 0.171386 0.190897 0.254695 0.227125 0.163147 0.175434 0.171327 0.163367 0.169590 0.174262 0.170394 0.165135 -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 -0.062855 -0.012933 0.140587 -0.327786 -0.023760 -0.349100 0.008995 1.071540 -0.279599 -0.028563 0.089842 -0.522046 -0.058430 -0.053101 0.583869 0.701716 -0.416353 1.174350 -0.318247 -0.833817 -0.042592 -0.444088 -0.615186 0.285823 -0.060439 0.551161 0.116773 -0.275760 0.00000 1.22337287e+00 -9.75443090e-01 1.43311558e-01 4.45638406e+02 -8.69875001e+00 4.22296560e+02 2.35047408e+01 1.65247857e+01 4.58616480e+02 -12.9897 -0.0055 -0.0049 0.0061 4.5901 6.4323 12.0785 13.9045 24.1290 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 50 51 52 53 54 55 56 57 58 59 60 61 62 63 64 65 66 67 68 69 70 71 72 73 74 75 76 77 78 79 80 81 82 83 84 85 86 87 88 89 90 91 92 93 94 95 96 97 98 99 100 101 102 103 104 105 106 107 108 109 110 111 112 113 114 115 116 117 118 119 120 121 122 123 124 125 126 127 128 129 130 131 132 133 134 135 A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A -7.0798 13.4126 24.0581 29.4673 36.1825 44.9362 54.5297 60.4846 64.1268 70.7069 90.1644 101.4681 117.7424 136.4184 161.5185 175.5442 189.7635 213.1832 217.3203 234.6080 242.8355 248.2083 253.7132 284.3833 292.4278 301.8205 329.0911 365.4621 397.8037 412.6609 420.9370 424.4370 430.4890 444.0240 472.0536 481.0836 493.8272 514.9188 560.9112 576.7616 580.3549 598.8602 627.4418 639.3397 652.1963 661.1627 705.0200 708.8248 722.3851 731.9976 767.2222 793.7001 800.4829 805.5481 844.3099 849.0591 862.7495 894.5395 901.4562 910.9749 916.9831 929.1053 943.2014 963.8710 982.5744 990.0942 992.8378 997.4169 1002.5699 1009.4223 1013.8853 1015.1980 1018.1413 1032.9889 1044.8261 1073.0066 1096.4056 1100.8044 1104.2240 1123.6130 1146.7113 1168.9110 1175.0550 1181.7448 1192.2225 1238.1734 1239.8981 1257.7964 1272.1482 1290.8761 1307.3280 1310.3272 1322.8173 1340.2562 1344.8867 1346.5573 1360.9718 1371.4258 1412.0997 1419.5707 1444.5700 1467.9646 1471.7970 1477.9980 1479.2923 1488.7915 1497.0119 1514.9289 1520.6741 1622.8409 1627.4946 1638.7948 1641.3026 1651.5470 1690.1476 2313.4261 3026.5718 3033.1317 3085.4782 3088.7941 3102.7283 3110.1079 3144.2396 3171.0841 3172.9454 3180.7688 3181.1977 3181.6159 3187.2688 3191.4450 3193.0849 3199.2713 3202.2111 3202.9652 3216.8252 5.5038 15.7268 5.0690 6.1294 7.1926 11.0191 5.2466 7.7731 7.8218 5.7697 7.0879 9.9708 4.0653 4.1194 4.9460 3.5263 1.6255 4.6507 2.9612 4.2928 5.3227 1.9195 5.7522 4.7494 4.1741 3.5671 4.9335 5.1414 2.5884 4.3371 4.8501 3.0000 5.4690 4.2112 3.6809 3.7386 3.5991 4.4119 5.5793 5.3011 7.5166 5.2190 6.1791 5.1280 6.4638 4.6584 2.0620 1.9451 5.8964 5.5752 2.6786 4.0640 1.7185 2.9161 1.2692 4.3394 4.8537 1.6191 1.6511 4.5915 1.4793 1.5270 3.4816 3.3767 1.4604 1.3648 1.5754 1.3474 1.8555 1.3656 3.7813 5.2402 4.2245 2.3091 2.0590 1.4543 1.5106 1.6117 1.6417 2.1848 2.7139 1.7485 1.1139 1.1555 1.1357 2.9020 2.4975 2.3406 3.4458 2.4861 1.8345 1.2676 2.7936 1.3270 1.7560 1.5976 3.0150 1.4612 1.3130 1.2460 1.7703 2.6420 1.0594 1.0636 2.2212 1.0839 1.1570 2.4741 2.3607 5.9431 6.0821 6.0857 6.3631 7.1252 11.5831 12.6674 1.0371 1.0402 1.1023 1.1014 1.0851 1.1015 1.0967 1.0893 1.0868 1.0900 1.0901 1.0882 1.0861 1.0933 1.0925 1.0957 1.0972 1.0954 1.0913 0.0002 0.0017 0.0017 0.0031 0.0055 0.0131 0.0092 0.0168 0.0190 0.0170 0.0339 0.0605 0.0332 0.0452 0.0760 0.0640 0.0345 0.1245 0.0824 0.1392 0.1849 0.0697 0.2182 0.2263 0.2103 0.1915 0.3148 0.4046 0.2413 0.4351 0.5063 0.3184 0.5971 0.4892 0.4833 0.5098 0.5171 0.6892 1.0342 1.0390 1.4916 1.1028 1.4332 1.2350 1.6199 1.1998 0.6039 0.5758 1.8129 1.7601 0.9290 1.5084 0.6488 1.1149 0.5331 1.8431 2.1286 0.7634 0.7905 2.2450 0.7329 0.7766 1.8249 1.8483 0.8307 0.7883 0.9149 0.7898 1.0989 0.8198 2.2902 3.1820 2.5801 1.4517 1.3243 0.9865 1.0699 1.1507 1.1794 1.6252 2.1026 1.4076 0.9062 0.9507 0.9511 2.6212 2.2622 2.1818 3.2856 2.4408 1.8473 1.2823 2.8802 1.4045 1.8713 1.7068 3.2903 1.6192 1.5426 1.4794 2.1765 3.3543 1.3521 1.3689 2.8638 1.4154 1.5277 3.3455 3.2163 9.2217 9.4916 9.6296 10.0994 11.4506 19.4950 39.9439 5.5970 5.6384 6.1828 6.1912 6.1545 6.2776 6.3880 6.4538 6.4462 6.4977 6.5000 6.4901 6.5005 6.5606 6.5631 6.6077 6.6286 6.6208 6.6534 1.1133 0.2808 0.9375 0.7188 4.0367 0.3800 2.4940 3.0596 1.4993 2.3083 1.6499 2.8875 0.7487 0.3593 0.5536 0.4838 0.5562 6.8854 4.9281 8.0102 3.6965 0.7247 9.1849 16.4234 0.8512 1.7977 0.3884 1.3365 3.1782 1.7420 18.6765 1.9763 16.1798 4.0008 0.5068 18.2677 34.8904 29.5638 3.6390 35.0900 1.3117 5.8565 1.8102 9.6781 1.0502 3.6781 86.2250 46.6028 21.0799 70.6135 47.6601 31.1128 72.4311 84.6789 3.1691 79.1478 20.4900 81.6091 73.5162 40.7544 3.4830 10.0761 19.1159 106.0988 22.1910 0.2640 18.3453 3.2052 89.1310 6.0415 27.0911 8.3634 12.0413 184.0070 28.7770 89.2171 24.4412 1.5382 13.7012 203.1642 24.3208 79.9779 3.8771 4.8945 11.6536 351.5004 39.8381 276.7100 486.9792 143.7485 34.0766 20.5365 9.1739 35.9952 0.8404 0.3089 63.9973 23.8846 12.2766 10.7711 25.5709 52.6330 2.1590 7.0515 7.7396 9.5025 5.4093 197.1749 115.7580 240.8058 15.1245 30.4550 33.7355 7.8562 1018.2280 24.4062 30.1928 63.7727 12.5621 64.6795 2.3585 36.7436 17.8231 10.4225 0.6340 9.8546 4.2466 3.3326 0.5618 24.4731 7.0625 9.8677 5.8744 0.8361 3.0552 -0.07 0.02 0.05 -0.03 -0.02 -0.06 0.03 -0.01 0.04 -0.01 -0.01 0.01 0.04 -0.08 -0.10 -0.00 -0.10 0.06 0.09 0.13 0.04 0.04 0.05 0.06 0.04 0.04 -0.01 0.12 0.18 0.12 0.14 0.18 -0.04 0.02 0.02 0.01 0.01 0.01 0.02 -0.02 0.01 0.00 0.03 -0.04 0.04 0.05 -0.03 -0.00 0.01 -0.08 0.05 0.04 -0.06 -0.03 0.08 -0.00 -0.02 0.05 -0.05 -0.07 0.09 0.00 -0.06 0.08 -0.02 -0.09 -0.01 -0.06 -0.04 0.00 -0.03 0.02 -0.08 -0.07 -0.06 -0.05 0.01 0.07 -0.13 -0.03 -0.02 -0.12 0.01 0.05 0.02 0.03 0.13 0.04 0.04 -0.09 0.13 0.13 0.07 0.02 0.27 0.16 0.21 0.19 0.20 0.18 0.23 -0.07 0.13 0.13 -0.10 0.15 0.22 0.01 0.05 0.02 -0.02 0.02 -0.01 0.06 0.02 -0.09 -0.02 0.08 0.02 0.00 0.11 0.03 -0.08 0.09 -0.02 -0.12 0.05 -0.03 0.03 -0.08 -0.09 -0.11 -0.04 0.03 0.12 -0.18 -0.03 -0.03 -0.16 0.04 0.09 -0.14 0.19 -0.18 -0.09 -0.17 0.11 0.02 -0.02 0.01 0.03 -0.02 -0.02 0.11 -0.02 0.04 -0.02 -0.01 -0.09 -0.03 0.03 0.07 -0.03 -0.02 0.10 0.00 -0.01 0.05 -0.05 0.08 0.07 -0.03 0.04 0.07 -0.04 -0.08 0.13 0.02 -0.02 0.01 -0.08 -0.03 0.04 0.04 -0.04 -0.03 0.06 -0.05 -0.01 0.01 -0.02 -0.06 0.06 -0.03 0.00 0.07 -0.08 -0.01 0.09 -0.04 0.02 0.10 -0.09 0.00 0.11 -0.07 0.02 0.13 0.01 0.02 0.12 0.01 -0.02 0.17 0.07 0.03 0.15 0.06 -0.05 0.19 0.12 0.00 0.18 0.12 -0.04 -0.05 -0.01 0.11 0.02 -0.03 0.03 -0.08 0.08 0.09 -0.06 0.09 0.08 -0.03 0.11 0.06 -0.02 0.08 0.03 -0.01 -0.01 0.06 -0.07 0.05 0.10 -0.01 -0.20 0.24 0.06 -0.05 -0.04 0.05 -0.01 0.01 0.07 -0.09 -0.03 0.11 -0.11 0.00 0.13 -0.08 0.03 0.09 -0.03 -0.03 0.17 0.07 0.07 0.14 0.06 -0.09 0.22 0.16 0.01 0.20 0.16 -0.06 0.03 -0.01 0.01 0.02 -0.01 0.04 -0.01 -0.03 -0.01 -0.03 -0.02 0.02 0.07 -0.07 -0.10 0.03 -0.08 0.12 0.01 0.01 -0.01 0.00 -0.01 -0.00 -0.00 -0.01 -0.02 0.01 0.02 0.01 0.01 0.04 -0.02 0.01 -0.01 0.01 -0.01 -0.02 -0.01 0.01 -0.01 0.01 -0.03 -0.02 0.03 -0.04 -0.01 0.01 0.00 -0.06 0.08 0.04 -0.05 -0.04 -0.15 0.04 0.05 -0.00 -0.04 -0.05 -0.19 0.05 0.04 -0.12 0.02 -0.01 0.04 -0.02 -0.08 0.06 -0.13 -0.06 -0.00 0.19 -0.07 0.04 -0.05 -0.05 -0.02 0.27 -0.06 -0.00 0.15 -0.05 0.01 -0.02 0.02 -0.01 -0.01 -0.04 0.02 0.05 0.03 0.01 0.00 0.02 0.01 0.04 -0.02 0.01 0.04 -0.04 0.01 0.03 -0.04 0.02 0.05 -0.01 0.00 -0.00 0.01 -0.06 0.00 0.05 0.13 -0.09 -0.06 -0.21 0.07 0.09 -0.28 0.09 0.06 -0.15 0.03 -0.03 0.08 -0.28 -0.07 -0.01 0.28 -0.09 0.05 -0.14 -0.04 -0.05 0.43 -0.06 -0.02 0.21 -0.04 0.03 0.02 -0.02 0.02 -0.05 0.10 -0.02 0.01 -0.05 -0.02 0.01 -0.11 -0.02 -0.01 -0.01 0.05 -0.01 0.12 0.02 0.10 -0.08 0.01 0.05 -0.06 0.01 0.05 -0.11 0.03 0.12 -0.04 0.03 0.15 -0.11 0.01 0.03 -0.03 -0.01 0.02 -0.09 0.02 0.01 0.01 -0.05 0.01 0.02 -0.07 0.01 0.03 0.00 -0.00 0.07 -0.04 0.00 0.02 -0.12 0.03 0.05 -0.05 0.00 0.01 -0.13 0.03 0.05 -0.10 0.02 0.03 0.00 -0.04 -0.03 -0.02 0.08 -0.03 0.04 -0.21 -0.03 -0.00 0.05 -0.04 0.05 -0.25 -0.04 0.03 -0.11 -0.05 0.01 0.04 -0.02 0.00 0.05 -0.15 0.05 0.13 -0.04 0.01 0.12 -0.02 0.05 0.13 -0.04 0.03 0.18 -0.14 0.02 0.13 -0.14 0.04 0.18 -0.08 0.01 0.03 -0.02 -0.10 0.01 0.02 -0.01 -0.01 0.01 -0.14 0.03 0.06 -0.17 0.04 0.06 -0.11 0.02 0.03 -0.04 0.20 -0.03 0.05 -0.31 -0.02 -0.02 0.14 -0.05 0.08 -0.38 -0.04 0.04 -0.14 -0.05 0.00 -0.07 -0.01 -0.02 -0.04 0.03 -0.02 0.07 -0.08 -0.11 0.08 0.13 0.07 0.04 -0.01 0.03 -0.16 0.28 -0.04 -0.02 -0.09 -0.04 0.03 -0.12 -0.03 0.04 -0.06 -0.05 -0.03 -0.12 -0.05 -0.07 -0.06 -0.04 0.02 -0.10 -0.06 0.07 -0.00 -0.03 -0.02 -0.04 -0.08 0.05 0.04 -0.03 0.05 0.00 -0.03 -0.06 0.17 -0.04 0.05 0.01 0.09 0.02 -0.04 0.07 0.03 -0.02 0.20 -0.01 -0.07 0.19 -0.00 -0.07 0.05 0.06 0.01 0.04 0.12 0.03 0.03 0.03 -0.00 0.03 0.15 0.05 0.01 0.05 0.02 0.01 0.11 0.04 -0.04 0.05 -0.15 -0.04 0.04 -0.03 -0.06 -0.01 -0.09 -0.02 -0.07 -0.13 -0.09 -0.03 -0.15 -0.05 -0.11 -0.02 -0.05 -0.04 -0.04 -0.04 -0.11 -0.11 -0.05 0.04 -0.11 -0.19 0.12 0.08 -0.12 0.07 0.04 0.10 0.02 -0.04 0.29 -0.03 -0.11 0.28 -0.02 -0.09 0.06 0.15 0.04 0.03 -0.02 -0.02 0.02 0.19 0.07 -0.01 0.02 0.01 -0.01 0.13 0.05 -0.07 -0.12 0.16 -0.07 -0.02 -0.01 -0.06 0.07 0.06 -0.03 0.07 0.03 0.14 0.02 -0.06 -0.16 0.12 -0.18 -0.00 0.04 0.02 -0.04 0.05 -0.01 -0.04 0.06 0.03 0.02 0.03 0.05 0.03 0.02 -0.01 -0.05 0.04 -0.04 -0.04 0.07 0.04 -0.07 -0.02 0.02 -0.02 0.06 -0.01 0.01 0.05 -0.01 -0.09 0.09 -0.10 0.07 0.03 -0.03 -0.05 0.06 0.01 0.08 0.03 -0.04 -0.03 0.05 0.00 0.04 0.04 -0.02 0.16 0.00 -0.08 0.15 0.01 -0.12 0.20 -0.03 -0.08 0.18 -0.02 -0.14 0.23 -0.06 -0.10 0.22 -0.05 -0.14 -0.06 0.06 0.00 -0.03 0.05 0.02 0.04 -0.00 0.01 -0.02 0.08 0.06 0.05 0.02 0.11 0.06 0.01 0.02 0.02 0.03 -0.03 0.06 0.01 -0.03 -0.04 0.08 -0.12 0.03 0.03 -0.03 0.11 0.02 -0.04 -0.10 0.07 0.03 -0.07 0.06 0.02 0.05 0.04 -0.02 0.11 0.04 -0.12 0.21 -0.04 -0.05 0.17 -0.01 -0.17 0.26 -0.09 -0.10 0.25 -0.08 -0.16 0.02 -0.02 -0.05 -0.00 -0.00 -0.01 -0.03 -0.00 0.05 0.03 -0.01 -0.01 0.18 -0.06 -0.10 -0.07 0.09 -0.10 -0.01 -0.05 0.01 -0.02 -0.04 0.00 -0.01 -0.03 0.02 -0.01 -0.04 0.02 0.00 -0.08 0.02 -0.02 -0.04 -0.00 -0.00 -0.02 0.02 -0.00 -0.02 -0.01 -0.01 0.01 0.01 -0.02 0.01 0.01 -0.04 0.05 -0.04 0.08 -0.02 -0.03 -0.12 0.04 0.05 0.08 -0.02 -0.04 -0.12 0.04 0.04 -0.02 0.02 -0.00 0.09 -0.00 -0.02 0.10 0.15 0.10 -0.01 -0.10 -0.05 0.01 0.20 0.19 -0.10 -0.05 0.03 -0.09 0.10 0.15 -0.02 -0.03 -0.01 0.00 -0.04 0.03 -0.01 -0.02 0.04 -0.01 -0.05 0.03 -0.01 -0.03 -0.00 0.01 -0.09 0.04 0.00 -0.07 0.02 0.01 -0.09 -0.01 -0.02 -0.05 0.01 0.03 -0.01 -0.00 0.15 -0.03 -0.05 -0.20 0.06 0.08 -0.20 0.06 0.07 -0.01 0.02 -0.01 0.17 0.22 0.13 -0.02 -0.22 -0.15 0.01 0.32 0.28 -0.18 -0.13 0.00 -0.17 0.14 0.22 -0.06 -0.00 0.07 -0.05 0.05 -0.06 0.10 -0.03 -0.14 0.14 -0.03 -0.17 0.06 -0.00 -0.03 0.30 -0.02 0.19 -0.11 -0.01 0.03 -0.03 -0.06 0.10 0.02 -0.05 0.01 -0.18 0.04 -0.07 -0.19 -0.00 0.10 -0.03 -0.07 0.13 0.10 -0.03 -0.11 -0.04 -0.03 0.07 0.06 -0.01 -0.04 0.02 0.00 -0.03 0.17 -0.02 0.06 0.05 0.00 -0.03 -0.03 0.01 -0.01 0.03 0.00 -0.02 -0.05 0.01 0.01 -0.02 0.01 0.00 0.05 0.00 -0.02 0.05 0.05 -0.00 0.04 -0.05 -0.03 0.04 0.05 0.01 0.03 -0.06 -0.01 0.03 -0.00 0.00 -0.02 -0.05 0.07 0.06 -0.08 0.04 -0.26 0.11 0.03 -0.09 -0.03 -0.10 -0.24 0.09 -0.20 -0.21 0.05 0.02 -0.12 -0.07 0.17 -0.29 0.01 0.18 -0.03 -0.08 0.15 -0.01 0.01 -0.03 0.08 0.01 -0.04 -0.05 0.01 -0.00 -0.09 0.01 0.02 -0.03 0.01 0.01 0.05 0.08 0.00 0.05 -0.09 -0.04 0.04 0.08 0.02 0.03 -0.10 -0.02 0.02 -0.01 0.01 -0.04 0.05 0.03 0.00 -0.04 -0.01 0.13 0.05 -0.23 -0.17 0.08 0.31 0.04 0.04 0.02 0.07 -0.13 -0.08 0.00 0.01 -0.03 0.03 0.08 -0.06 0.01 0.07 -0.00 0.00 -0.05 -0.08 -0.02 -0.02 0.01 0.03 0.08 -0.05 -0.02 0.07 0.04 0.01 0.04 -0.02 0.09 0.00 -0.15 0.09 -0.01 -0.10 0.09 -0.05 -0.11 0.16 0.01 -0.08 -0.06 -0.02 -0.04 0.05 0.02 0.00 -0.16 -0.01 0.05 -0.11 0.01 0.07 0.02 0.01 0.04 0.03 -0.04 0.07 -0.02 -0.01 0.03 0.02 -0.10 0.10 -0.04 -0.08 0.05 -0.02 -0.13 0.09 0.04 0.09 -0.09 -0.02 0.10 0.05 -0.00 -0.08 -0.12 0.03 -0.03 -0.13 -0.03 -0.09 -0.06 -0.04 -0.05 0.04 -0.02 0.01 0.04 -0.02 -0.04 -0.02 0.04 0.08 -0.06 0.01 0.00 -0.15 0.27 0.03 -0.13 -0.12 -0.03 -0.04 -0.28 -0.02 0.10 -0.20 0.02 0.13 0.06 -0.02 0.08 -0.03 0.03 -0.00 0.03 -0.14 0.12 -0.06 -0.10 0.04 -0.03 -0.19 0.11 0.03 -0.04 -0.00 0.01 0.03 -0.01 0.05 -0.06 -0.08 -0.08 -0.05 0.22 -0.08 0.02 0.03 0.04 -0.06 -0.04 0.03 0.01 0.06 -0.01 -0.07 0.09 0.02 -0.07 0.02 0.02 0.09 0.11 0.06 0.03 0.02 -0.01 -0.08 0.07 -0.01 -0.07 0.07 -0.00 -0.04 0.03 0.03 -0.04 -0.06 -0.01 -0.02 -0.05 0.05 -0.04 -0.05 -0.06 -0.00 -0.03 0.00 -0.04 -0.05 -0.09 -0.00 0.00 -0.05 -0.03 -0.02 -0.09 -0.02 0.01 -0.04 0.05 -0.02 -0.07 0.19 -0.07 0.03 -0.05 -0.00 -0.03 0.25 -0.11 0.07 0.01 -0.04 0.04 0.17 -0.09 -0.02 -0.09 0.14 0.02 -0.09 -0.03 -0.02 0.05 0.07 -0.06 0.19 0.12 0.12 0.13 0.16 0.10 0.09 -0.02 0.08 -0.03 -0.02 0.04 0.06 0.07 -0.01 -0.08 0.07 0.04 -0.03 -0.05 -0.07 0.01 -0.03 0.04 -0.06 -0.08 -0.05 -0.04 -0.02 -0.12 -0.01 0.03 -0.12 0.26 -0.08 0.06 -0.16 0.04 -0.06 0.37 -0.15 0.13 -0.06 -0.03 0.06 0.23 -0.13 -0.03 0.10 0.11 0.06 -0.09 -0.05 -0.01 -0.03 0.07 0.02 -0.03 -0.10 -0.04 -0.02 -0.01 -0.09 -0.11 -0.01 0.00 -0.06 -0.01 0.10 0.07 -0.04 -0.01 0.04 0.04 0.03 -0.22 -0.09 -0.07 -0.05 0.06 0.12 0.12 -0.02 0.00 -0.01 -0.01 0.09 0.08 0.01 0.00 -0.03 0.03 -0.00 -0.02 0.00 -0.04 -0.06 0.01 -0.04 -0.02 0.00 0.00 -0.01 -0.00 -0.05 -0.02 -0.00 -0.03 -0.00 -0.00 -0.06 -0.01 -0.00 -0.02 0.00 -0.03 -0.04 0.11 -0.05 0.01 -0.05 -0.02 -0.03 0.18 -0.06 0.02 0.03 -0.04 -0.00 0.15 -0.06 0.15 0.06 -0.10 -0.06 0.10 0.12 0.08 -0.17 -0.06 0.14 -0.33 -0.13 -0.12 -0.28 -0.14 -0.15 -0.14 0.10 -0.10 0.06 0.11 -0.02 -0.07 0.00 0.12 0.14 -0.04 0.02 -0.02 0.04 -0.04 -0.02 0.01 0.02 -0.01 -0.00 -0.04 0.01 -0.00 -0.08 0.00 -0.01 -0.07 0.14 -0.05 0.02 -0.13 -0.00 -0.05 0.28 -0.08 0.04 -0.00 -0.03 0.00 0.22 -0.07 -0.01 0.04 0.03 0.02 -0.03 -0.01 -0.02 -0.07 -0.08 -0.19 -0.06 0.18 0.04 -0.11 -0.05 0.31 0.52 0.00 -0.00 -0.00 -0.02 0.02 0.02 -0.03 -0.05 -0.02 -0.03 0.02 -0.07 -0.03 -0.04 0.06 -0.03 0.03 0.05 -0.03 -0.09 -0.06 0.03 0.03 0.03 -0.01 -0.07 -0.04 0.01 -0.13 -0.04 0.08 0.10 0.19 0.01 -0.14 -0.06 0.07 -0.03 -0.05 0.04 -0.01 -0.08 -0.01 0.08 -0.07 -0.03 0.11 -0.09 -0.05 0.02 -0.08 -0.04 0.02 -0.07 -0.02 -0.01 -0.04 -0.04 -0.00 -0.00 -0.01 -0.03 0.03 -0.03 -0.03 0.05 -0.01 0.05 -0.02 -0.01 -0.09 0.02 -0.03 0.05 -0.07 -0.04 0.04 -0.10 -0.04 -0.02 -0.10 -0.03 -0.07 0.06 -0.06 -0.05 0.09 -0.04 -0.01 0.10 -0.00 0.03 0.07 -0.04 -0.07 -0.11 -0.04 -0.19 -0.06 0.09 -0.02 -0.04 0.05 0.18 -0.07 -0.07 0.23 -0.11 -0.11 0.03 -0.10 -0.02 -0.01 -0.05 -0.05 -0.00 0.01 0.00 -0.04 0.08 -0.03 -0.04 0.11 -0.00 0.05 0.01 0.01 0.04 -0.05 -0.06 -0.04 -0.01 -0.01 -0.02 -0.02 0.10 0.02 0.04 -0.00 -0.15 -0.02 -0.03 -0.04 0.03 0.00 0.02 -0.06 0.08 0.01 -0.07 -0.05 -0.09 0.08 -0.05 -0.15 0.18 0.02 0.04 -0.07 0.10 -0.01 -0.04 0.01 0.05 -0.03 0.06 -0.05 0.03 0.02 -0.06 0.04 0.01 -0.07 0.01 0.02 -0.04 0.04 0.01 -0.03 0.04 0.00 0.01 0.03 -0.00 0.02 0.02 -0.01 0.04 0.02 -0.01 0.02 0.04 0.00 0.02 0.00 0.02 0.00 0.04 0.00 0.02 -0.05 0.03 -0.00 -0.02 0.01 0.01 -0.07 0.02 0.04 -0.09 0.11 0.01 -0.08 -0.07 -0.13 0.26 0.15 0.03 -0.13 -0.04 -0.21 0.15 -0.29 -0.19 0.32 -0.19 -0.07 0.06 0.05 -0.26 0.30 0.23 0.04 -0.08 0.13 -0.05 0.05 0.03 -0.05 0.05 0.01 -0.05 0.04 0.01 0.04 0.01 -0.02 0.09 0.01 -0.03 0.04 0.01 0.02 -0.00 0.07 -0.01 0.03 -0.09 0.04 -0.01 -0.02 0.01 0.01 -0.12 0.03 0.02 -0.02 -0.02 -0.01 -0.00 -0.01 0.07 0.06 0.04 0.00 0.08 0.06 -0.04 -0.09 -0.00 -0.05 0.04 -0.08 -0.03 0.04 -0.03 -0.00 0.05 -0.03 0.06 0.08 -0.01 -0.11 0.14 -0.12 -0.06 -0.04 0.04 -0.01 0.01 -0.01 0.05 0.09 0.02 -0.01 -0.00 -0.01 0.06 -0.02 0.06 0.09 -0.04 0.09 0.02 -0.00 0.02 0.06 -0.06 0.07 0.09 -0.00 0.08 -0.00 -0.05 0.04 0.02 0.02 0.06 -0.03 0.00 0.04 -0.03 -0.13 -0.01 -0.04 -0.10 -0.04 -0.01 -0.12 -0.01 -0.04 0.04 -0.05 -0.01 0.01 -0.02 -0.03 0.11 -0.04 -0.01 0.09 -0.09 0.08 0.06 0.02 -0.21 0.34 0.11 0.03 -0.08 -0.12 -0.23 0.24 -0.41 -0.07 -0.04 0.04 -0.02 -0.06 0.11 -0.14 -0.08 0.03 0.00 -0.00 -0.01 0.03 -0.05 0.04 0.07 -0.09 0.07 0.12 0.01 0.10 0.01 0.06 0.06 -0.08 0.02 0.03 -0.06 -0.13 -0.05 -0.00 -0.16 0.01 -0.05 0.09 -0.07 0.01 0.05 -0.01 -0.03 0.24 -0.05 0.11 -0.04 -0.04 -0.07 -0.05 -0.03 -0.00 0.03 0.05 -0.03 0.04 -0.07 -0.01 -0.00 0.01 0.10 0.01 0.04 -0.04 0.05 0.08 -0.01 0.11 0.05 -0.07 0.10 0.11 0.03 -0.13 0.09 -0.12 0.17 0.10 -0.02 0.09 -0.02 -0.04 0.06 0.03 -0.04 0.06 -0.01 0.02 -0.01 -0.02 0.05 -0.02 -0.02 0.02 -0.01 -0.02 0.05 -0.02 -0.02 0.04 -0.02 -0.02 0.00 -0.01 -0.00 -0.01 -0.01 0.00 -0.04 -0.00 0.01 -0.01 -0.00 0.00 -0.01 0.00 -0.00 -0.00 -0.01 0.00 -0.01 0.02 -0.01 -0.00 0.01 0.00 -0.00 0.02 -0.00 -0.01 0.11 0.04 -0.10 0.13 0.17 0.13 -0.32 -0.13 -0.04 0.05 0.05 0.07 -0.27 0.36 -0.16 0.30 -0.09 -0.06 0.06 0.11 -0.22 0.28 0.28 0.01 0.08 -0.05 0.04 -0.01 -0.02 0.07 -0.02 -0.03 0.04 -0.02 -0.02 -0.04 -0.00 0.01 -0.08 0.01 0.03 -0.01 0.01 -0.00 -0.00 -0.01 0.01 -0.01 0.03 -0.01 0.00 0.01 0.00 -0.00 0.03 -0.01 0.08 0.04 0.03 -0.02 -0.05 -0.04 -0.03 0.01 -0.02 -0.03 0.02 -0.04 0.00 0.00 0.00 0.02 0.01 0.03 -0.03 0.02 0.02 -0.05 0.02 0.01 -0.03 0.04 0.02 -0.08 0.18 0.05 0.08 -0.19 0.03 -0.03 0.03 0.05 -0.03 0.02 -0.01 0.01 0.04 0.05 -0.04 -0.00 -0.02 -0.04 -0.01 -0.02 -0.02 0.00 -0.01 -0.04 -0.01 -0.02 -0.03 -0.03 -0.02 -0.01 -0.01 -0.01 -0.01 -0.04 -0.01 0.00 -0.03 -0.01 0.00 0.02 0.00 0.01 0.01 0.00 0.00 0.03 0.00 0.01 -0.02 0.01 0.00 -0.00 0.00 0.01 -0.03 0.01 -0.05 0.03 -0.02 -0.02 0.03 0.00 -0.18 0.14 0.04 -0.17 0.30 0.06 0.06 0.26 0.07 0.13 -0.41 0.34 -0.02 0.00 0.03 0.23 -0.38 -0.28 -0.04 0.03 0.07 -0.04 -0.00 -0.02 -0.05 -0.00 -0.01 -0.04 -0.03 -0.03 -0.01 -0.04 -0.02 0.02 -0.04 -0.01 0.01 0.01 0.01 -0.00 0.04 -0.00 0.01 -0.04 0.01 -0.00 -0.01 0.00 0.01 -0.07 0.01 0.00 0.01 0.01 0.01 -0.00 -0.01 0.03 0.04 -0.10 0.04 0.04 0.01 0.00 -0.03 -0.00 -0.07 -0.01 -0.03 -0.01 -0.00 -0.01 -0.01 -0.01 0.00 0.01 -0.01 -0.02 -0.00 -0.02 -0.00 -0.02 -0.02 0.00 -0.00 -0.03 0.03 0.03 0.03 -0.04 0.01 -0.02 0.02 -0.02 0.02 -0.00 -0.03 0.01 0.04 -0.00 0.01 0.02 -0.04 0.00 0.04 -0.02 0.01 0.04 -0.00 -0.00 0.02 0.01 0.00 0.02 0.03 -0.00 0.01 0.00 -0.04 -0.00 0.00 -0.04 -0.00 0.00 -0.03 -0.00 -0.00 -0.00 -0.00 -0.00 0.01 -0.00 -0.01 0.03 -0.00 -0.01 -0.01 -0.00 0.03 -0.02 -0.01 -0.02 -0.39 -0.38 -0.22 0.44 -0.07 0.25 -0.13 0.45 0.03 0.09 -0.10 0.06 -0.16 0.02 -0.16 0.00 0.10 -0.01 -0.04 0.05 -0.09 0.01 -0.01 -0.06 -0.00 0.05 -0.03 0.01 0.04 0.03 0.00 0.01 0.06 -0.01 -0.01 -0.00 -0.06 -0.01 0.00 -0.04 -0.00 -0.01 0.01 -0.00 -0.00 0.03 -0.00 -0.01 0.08 -0.00 0.00 0.01 0.01 0.02 -0.00 -0.01 -0.08 0.09 -0.02 0.08 0.08 0.02 -0.10 0.05 0.07 0.03 0.03 0.08 -0.01 -0.02 0.01 -0.03 -0.05 0.02 -0.04 -0.05 -0.00 0.03 -0.05 0.06 0.02 0.03 -0.04 -0.01 -0.04 0.04 -0.02 0.04 -0.00 0.01 -0.03 0.03 -0.08 0.06 -0.06 0.01 0.02 -0.07 -0.08 0.03 -0.03 0.21 -0.00 -0.11 -0.15 0.00 -0.01 0.14 -0.01 -0.04 -0.01 -0.04 -0.01 0.15 -0.05 -0.03 -0.07 -0.09 0.05 -0.08 -0.11 -0.00 -0.01 -0.12 0.07 -0.05 0.01 -0.05 0.02 -0.00 0.03 -0.00 0.11 -0.03 -0.03 -0.06 0.05 -0.02 -0.07 -0.01 0.09 0.08 0.17 0.08 -0.21 0.11 -0.06 -0.03 -0.05 -0.02 -0.06 0.05 -0.07 0.16 -0.09 0.17 0.03 -0.11 -0.03 -0.04 0.06 -0.09 0.07 -0.06 0.29 0.02 -0.14 -0.36 0.02 0.03 -0.07 -0.07 0.02 0.19 -0.06 -0.01 -0.12 -0.15 -0.02 0.00 -0.16 0.12 -0.07 0.05 -0.10 0.07 0.02 0.04 0.01 0.26 -0.06 -0.04 -0.01 -0.00 0.08 -0.01 -0.00 -0.07 0.03 0.13 -0.00 0.03 0.01 -0.01 0.00 0.01 0.07 0.06 0.06 -0.02 -0.01 -0.00 -0.02 0.00 -0.02 -0.01 0.02 0.02 -0.06 0.10 -0.01 -0.04 -0.05 0.04 -0.01 -0.00 -0.05 -0.03 0.04 0.05 0.02 -0.00 -0.04 -0.03 -0.01 0.01 0.04 -0.03 -0.05 -0.06 -0.02 -0.01 0.06 -0.04 -0.07 0.02 -0.04 -0.05 0.01 -0.04 -0.04 -0.03 -0.04 -0.02 -0.05 -0.04 -0.01 -0.01 0.04 0.01 -0.01 0.04 0.01 -0.00 0.04 0.01 0.00 0.01 -0.00 0.01 -0.00 0.01 0.01 -0.04 0.00 -0.03 0.02 -0.04 -0.00 0.02 0.02 -0.16 -0.06 -0.13 -0.19 0.33 -0.03 0.11 0.12 0.15 0.08 0.24 -0.24 0.17 -0.42 0.09 -0.40 0.02 0.29 -0.01 0.01 -0.06 0.02 -0.00 0.02 0.07 -0.05 -0.08 0.01 -0.05 -0.06 -0.06 -0.03 -0.01 -0.12 -0.03 0.01 -0.01 0.06 0.01 -0.00 0.05 0.02 0.00 -0.00 -0.01 0.02 -0.02 0.01 0.02 -0.09 -0.00 0.01 -0.01 -0.00 -0.02 0.00 0.01 0.08 -0.12 -0.00 -0.09 -0.12 -0.04 -0.06 0.04 0.04 -0.04 -0.01 -0.07 0.02 0.00 0.00 0.03 0.04 -0.02 0.02 0.03 0.01 -0.02 0.05 -0.04 -0.01 -0.05 0.05 0.02 0.07 -0.06 0.01 -0.08 -0.00 -0.01 0.05 -0.06 0.07 -0.04 0.06 -0.01 0.01 0.04 0.09 -0.02 0.05 0.09 -0.03 -0.03 -0.18 0.09 0.09 0.10 -0.02 -0.05 -0.01 0.06 0.00 0.20 -0.01 -0.10 -0.06 0.04 0.04 -0.08 0.05 0.00 -0.02 0.05 0.06 -0.03 0.02 -0.04 0.02 -0.00 0.02 0.02 -0.03 -0.03 0.04 0.05 -0.04 -0.00 0.05 0.01 -0.09 -0.01 -0.08 -0.06 0.15 -0.06 0.04 0.07 0.01 0.07 0.11 -0.10 0.14 -0.28 0.11 -0.25 -0.04 0.19 0.03 0.08 -0.10 0.07 -0.03 0.07 0.12 -0.06 -0.03 -0.36 0.16 0.18 -0.04 0.09 0.01 0.32 -0.02 -0.17 -0.11 0.08 -0.00 -0.02 0.07 0.10 -0.04 0.01 -0.08 0.07 -0.02 0.03 0.05 -0.09 -0.05 -0.05 -0.05 -0.04 0.08 -0.01 0.01 0.03 0.04 -0.12 0.05 0.04 -0.05 0.02 -0.02 -0.02 -0.00 -0.10 -0.01 0.02 0.03 0.13 0.03 0.08 0.07 -0.05 0.07 0.15 -0.01 0.07 0.12 -0.01 0.00 0.19 0.02 0.09 -0.10 -0.01 0.04 0.01 0.00 0.06 -0.11 -0.01 0.03 -0.09 -0.13 0.03 0.02 0.03 0.05 -0.07 -0.17 0.05 0.06 -0.11 -0.02 0.02 -0.04 0.02 0.03 -0.01 -0.05 0.00 0.08 -0.03 -0.00 0.02 -0.03 -0.02 0.02 -0.05 -0.01 0.00 -0.03 -0.02 0.01 -0.02 0.01 -0.02 0.00 -0.01 -0.01 0.02 0.00 0.01 0.09 0.08 -0.07 0.09 0.17 -0.05 0.27 0.34 0.09 -0.14 0.14 -0.11 0.16 -0.14 -0.04 -0.05 0.23 -0.01 0.04 0.23 -0.02 -0.04 0.14 0.05 0.10 -0.17 -0.04 -0.02 -0.12 -0.21 0.08 0.07 -0.12 -0.03 -0.00 0.05 -0.08 -0.01 0.23 -0.07 -0.02 0.03 -0.06 -0.01 0.00 -0.04 -0.04 0.01 -0.03 0.02 -0.03 0.02 -0.01 -0.03 0.06 0.01 -0.03 -0.03 -0.02 0.04 0.00 -0.01 0.02 0.00 0.01 -0.05 0.01 -0.01 -0.00 -0.01 0.00 -0.02 0.04 -0.01 -0.03 0.06 0.01 0.01 0.04 0.03 0.00 0.05 -0.00 -0.01 -0.01 -0.02 -0.05 0.05 0.04 0.01 -0.04 0.06 -0.00 0.03 -0.01 0.00 -0.05 0.05 0.00 -0.02 0.04 0.02 -0.02 0.02 0.00 -0.02 0.04 0.04 -0.04 -0.01 -0.00 0.00 0.02 0.01 -0.03 -0.02 -0.00 0.01 0.00 0.01 -0.01 -0.02 -0.02 0.04 0.01 -0.02 0.06 -0.00 -0.01 0.05 0.01 -0.01 0.01 -0.01 0.00 0.00 -0.00 0.01 -0.04 -0.01 0.00 0.05 0.03 -0.01 0.06 0.01 0.01 -0.14 -0.16 -0.06 0.13 -0.06 0.03 -0.08 0.15 -0.22 -0.31 0.37 -0.27 0.49 0.05 0.32 -0.06 -0.28 0.03 -0.08 0.08 -0.02 -0.01 0.04 0.04 -0.06 -0.01 -0.03 0.02 0.04 -0.02 0.03 0.00 -0.01 -0.01 -0.03 -0.03 0.08 -0.00 -0.01 0.07 0.02 -0.01 0.01 -0.02 0.01 -0.02 0.00 0.02 -0.10 -0.02 0.02 0.00 0.00 -0.06 0.01 0.01 0.02 0.11 -0.04 0.23 0.14 0.09 0.01 -0.08 -0.02 -0.03 0.06 -0.00 0.08 0.00 0.01 0.06 0.01 0.01 0.08 -0.00 0.00 0.07 -0.05 -0.07 0.05 0.01 0.04 0.04 0.01 0.01 0.09 0.08 0.01 -0.01 0.00 0.00 -0.05 -0.03 0.03 -0.05 -0.07 0.02 -0.04 -0.04 0.05 -0.06 -0.11 -0.02 -0.10 -0.10 0.03 -0.02 -0.12 -0.05 -0.04 -0.12 -0.01 0.03 -0.16 -0.05 -0.03 0.10 -0.01 -0.04 0.17 -0.02 -0.04 0.15 -0.01 -0.02 0.03 -0.03 -0.02 0.01 -0.02 -0.00 -0.14 -0.04 0.06 0.01 0.02 0.11 -0.02 0.01 0.06 0.09 0.07 0.21 -0.23 -0.09 -0.10 -0.04 -0.25 0.05 0.09 -0.06 0.11 -0.08 0.07 -0.06 0.04 0.12 0.06 -0.00 -0.00 -0.15 -0.03 0.01 -0.07 -0.13 -0.01 -0.17 -0.10 0.04 -0.04 -0.10 -0.01 0.10 -0.17 -0.08 -0.06 0.23 -0.02 -0.05 0.20 -0.01 -0.02 0.01 -0.03 -0.00 -0.04 -0.02 0.03 -0.32 -0.05 0.00 -0.01 -0.01 -0.04 0.02 0.00 -0.06 -0.01 0.22 0.01 -0.01 0.06 -0.00 0.02 0.01 0.11 -0.13 0.04 0.07 0.07 -0.04 0.09 0.05 -0.01 0.10 0.04 -0.05 0.02 0.02 -0.19 -0.00 0.01 0.05 0.07 -0.03 0.06 0.02 -0.00 0.06 0.01 -0.06 0.07 0.05 0.01 -0.07 -0.07 0.03 -0.03 -0.01 0.08 -0.19 -0.14 0.05 0.00 -0.12 -0.00 -0.02 -0.03 0.02 0.00 -0.04 -0.03 -0.01 0.07 -0.03 -0.03 0.01 -0.03 -0.00 0.02 -0.06 0.01 0.02 -0.05 0.00 0.01 -0.02 0.02 0.00 0.00 0.01 0.00 0.05 0.02 0.09 0.05 -0.01 0.07 0.06 -0.09 -0.05 -0.19 -0.38 0.01 0.25 -0.31 0.07 -0.07 0.00 -0.07 -0.09 0.13 -0.01 0.11 0.13 0.02 -0.05 -0.03 0.10 -0.07 0.08 0.27 -0.06 -0.11 -0.19 0.07 0.02 -0.15 -0.02 -0.03 -0.03 -0.05 -0.01 0.20 -0.06 -0.05 0.03 -0.08 0.01 0.02 -0.08 -0.00 0.01 -0.03 0.02 -0.01 0.02 0.01 -0.01 0.11 0.03 -0.00 0.01 0.00 0.03 0.00 -0.02 0.01 0.04 0.04 -0.11 0.05 -0.06 0.02 -0.04 -0.02 0.07 -0.11 -0.01 -0.06 -0.02 -0.03 -0.07 0.03 -0.04 -0.05 0.07 0.02 0.00 -0.06 0.08 0.03 -0.03 -0.12 -0.05 -0.10 0.10 -0.05 0.08 -0.00 -0.00 -0.12 0.15 0.06 -0.01 -0.05 0.02 -0.02 0.09 0.05 0.05 -0.13 0.00 -0.00 0.11 -0.03 -0.01 0.11 0.02 0.00 0.05 0.02 -0.00 0.07 0.09 -0.01 0.04 -0.01 0.03 -0.02 -0.02 0.08 -0.04 -0.04 0.07 -0.04 -0.03 0.02 -0.04 -0.04 0.01 -0.04 -0.03 -0.07 -0.05 -0.09 0.08 -0.11 -0.06 0.09 0.09 0.13 0.09 0.19 0.05 -0.27 0.16 -0.09 -0.05 -0.04 0.19 0.18 -0.26 0.12 -0.28 -0.19 -0.12 0.03 0.02 -0.06 -0.14 0.16 0.12 -0.11 -0.13 0.00 -0.00 0.11 -0.05 0.01 0.13 0.03 0.01 0.06 0.18 -0.03 0.02 -0.04 0.12 -0.04 -0.05 0.11 -0.06 -0.02 0.03 -0.03 -0.03 -0.00 -0.04 -0.03 -0.16 -0.05 -0.01 -0.01 -0.02 -0.00 0.01 -0.01 0.02 0.00 -0.07 -0.11 -0.00 -0.08 -0.02 0.03 0.01 -0.05 0.08 0.00 0.06 0.06 0.02 0.07 0.10 0.02 0.02 0.11 0.02 0.08 -0.04 -0.03 0.08 -0.08 0.08 0.06 -0.06 0.12 -0.03 0.03 -0.03 0.00 -0.12 0.16 -0.05 0.00 0.03 -0.03 0.01 -0.06 -0.03 -0.04 0.10 -0.02 0.01 -0.07 0.00 0.00 -0.08 -0.02 0.00 -0.03 -0.01 -0.01 -0.05 -0.05 0.00 -0.03 0.01 -0.01 0.01 0.02 -0.05 0.03 0.03 -0.04 0.02 0.02 -0.02 0.03 0.02 -0.01 0.03 0.02 0.04 0.03 0.06 0.13 -0.01 -0.03 0.16 0.04 0.13 0.08 0.08 0.22 -0.24 -0.05 -0.10 -0.07 -0.18 0.23 0.12 -0.06 0.27 -0.38 0.14 -0.24 -0.11 0.19 0.11 -0.14 0.15 -0.13 0.07 0.08 -0.02 0.02 -0.07 0.01 -0.01 -0.09 -0.01 -0.02 -0.05 -0.09 0.01 -0.02 0.03 -0.07 0.03 0.03 -0.07 0.03 0.02 -0.02 0.02 0.02 -0.00 0.02 0.01 0.10 0.04 -0.00 -0.01 -0.01 -0.02 0.01 0.01 -0.05 -0.03 -0.03 -0.05 -0.07 -0.02 0.02 0.07 0.02 -0.03 0.03 0.05 0.07 0.04 0.02 0.07 0.00 0.04 0.02 -0.02 -0.03 0.04 0.03 -0.07 0.01 -0.03 0.12 0.05 0.02 0.00 -0.02 -0.06 -0.02 0.01 0.01 -0.02 -0.07 0.04 -0.02 0.03 0.01 0.00 -0.07 0.03 0.02 0.17 0.09 0.06 0.03 -0.11 0.03 0.10 0.10 0.12 0.05 -0.14 0.11 0.04 -0.02 0.20 0.04 0.02 -0.08 0.02 0.04 -0.11 -0.06 0.03 -0.13 -0.03 0.02 -0.07 -0.12 -0.01 -0.11 -0.11 -0.03 -0.09 0.08 -0.05 0.11 0.01 -0.02 -0.11 -0.01 -0.05 -0.13 0.05 0.11 -0.13 0.05 0.00 -0.01 -0.00 -0.05 0.13 0.07 -0.05 0.21 -0.08 -0.09 0.09 0.07 0.01 -0.01 -0.07 0.06 -0.00 0.24 0.15 0.02 -0.02 -0.16 -0.03 0.05 -0.22 0.13 0.02 -0.05 0.37 0.02 0.06 -0.11 -0.09 0.06 -0.24 -0.01 0.03 0.01 -0.14 -0.01 -0.11 -0.14 -0.06 -0.07 -0.00 0.00 0.00 0.01 -0.00 -0.00 0.09 -0.03 0.09 0.06 0.03 0.03 -0.09 0.17 0.10 -0.02 0.06 -0.08 -0.08 -0.05 -0.02 -0.04 0.04 -0.06 0.01 0.06 0.07 -0.08 -0.01 0.04 -0.01 0.03 -0.14 -0.03 -0.00 -0.00 0.05 0.03 0.05 -0.01 -0.02 0.03 0.08 -0.05 0.09 -0.00 0.01 -0.07 0.09 -0.15 0.16 -0.07 0.06 -0.03 -0.10 -0.07 -0.04 -0.03 0.05 0.01 -0.05 -0.11 0.01 0.06 -0.09 0.02 0.09 0.04 -0.08 0.11 -0.03 -0.06 0.03 -0.05 -0.12 0.03 -0.04 0.03 -0.07 -0.01 -0.06 -0.07 0.06 0.01 -0.05 0.12 -0.18 -0.01 0.09 0.18 -0.07 -0.02 0.03 -0.13 0.01 0.07 -0.02 0.01 0.06 0.00 0.05 -0.15 -0.10 0.07 -0.26 0.12 0.11 -0.11 -0.04 -0.00 0.01 0.05 0.07 0.18 -0.12 0.09 -0.02 -0.18 -0.11 -0.07 -0.07 -0.16 0.03 0.17 -0.13 0.07 0.18 -0.04 -0.04 0.01 -0.08 -0.23 0.06 -0.08 0.11 -0.14 -0.01 -0.08 -0.12 0.14 0.06 -0.00 -0.01 -0.01 0.01 -0.00 -0.00 -0.00 -0.01 -0.03 0.03 -0.03 -0.01 0.04 -0.03 -0.03 -0.01 0.00 0.01 -0.02 -0.02 0.09 0.03 0.03 0.08 -0.06 0.02 0.15 -0.14 -0.03 -0.13 0.15 0.05 -0.11 0.02 0.03 0.04 -0.02 -0.03 0.06 -0.01 0.04 0.00 -0.01 0.02 -0.01 -0.01 0.01 -0.01 -0.01 0.02 0.01 0.01 0.01 -0.00 0.01 -0.00 -0.01 0.03 0.01 0.01 0.00 -0.01 0.01 -0.01 0.01 0.02 -0.02 -0.01 0.02 -0.03 -0.00 0.01 -0.02 0.01 0.03 -0.01 0.01 -0.02 0.01 0.00 0.01 0.01 -0.01 -0.02 0.04 0.04 0.03 -0.11 0.08 0.18 -0.37 -0.16 -0.20 -0.01 0.13 -0.34 -0.19 -0.05 -0.15 0.32 0.16 -0.11 0.05 -0.03 -0.36 0.30 0.13 -0.08 0.06 -0.00 0.03 -0.02 0.02 -0.00 0.01 0.03 -0.01 0.02 -0.01 -0.03 -0.01 -0.02 0.01 -0.02 0.01 0.04 -0.06 -0.01 0.00 -0.02 0.01 0.05 -0.02 0.02 -0.04 0.03 0.00 0.01 0.02 -0.02 -0.03 -0.00 0.00 -0.01 -0.02 0.01 -0.00 0.01 -0.05 0.01 0.07 -0.05 0.04 0.15 -0.07 -0.11 -0.04 0.01 0.01 -0.02 -0.09 -0.05 0.06 0.08 -0.13 0.02 0.03 0.03 -0.01 0.05 0.11 -0.10 -0.00 -0.04 0.07 0.07 -0.07 0.04 -0.05 0.02 0.03 -0.15 0.17 0.01 0.04 0.01 -0.04 0.05 -0.07 0.03 0.03 0.06 -0.02 0.08 -0.02 0.00 -0.03 -0.08 0.06 0.04 0.03 -0.02 -0.06 0.02 0.00 0.00 0.07 -0.06 -0.02 0.07 -0.09 -0.03 0.03 -0.07 0.02 0.08 -0.04 0.03 -0.06 0.02 -0.02 0.02 0.01 -0.01 -0.05 0.08 0.14 -0.27 -0.07 0.13 0.16 -0.01 0.09 0.15 -0.17 0.09 0.23 0.19 0.17 0.11 -0.22 -0.05 -0.07 -0.13 0.09 -0.00 -0.03 0.05 -0.00 0.07 0.15 -0.18 0.04 0.10 0.05 -0.01 0.14 -0.04 0.03 -0.10 -0.15 -0.05 -0.13 0.04 0.00 -0.01 0.14 -0.17 -0.10 -0.00 -0.05 0.03 0.15 -0.06 0.05 -0.11 0.11 -0.05 0.04 0.04 -0.04 -0.08 -0.00 -0.00 -0.01 -0.01 0.01 -0.00 -0.02 -0.02 -0.06 0.04 -0.04 0.01 -0.15 0.03 0.10 -0.05 -0.06 0.06 0.00 -0.07 0.01 0.06 0.05 -0.05 -0.02 0.00 0.06 -0.03 0.03 0.02 -0.02 0.01 -0.03 0.07 0.08 -0.06 0.00 -0.05 0.01 0.02 -0.11 0.15 -0.02 0.05 -0.01 -0.04 -0.00 0.10 0.02 0.23 -0.06 0.11 -0.12 -0.05 -0.01 0.01 0.08 -0.09 -0.07 -0.04 0.12 0.00 -0.05 -0.11 -0.04 -0.04 0.06 0.01 -0.07 0.09 -0.04 -0.03 0.06 0.07 -0.07 0.03 0.06 0.06 -0.01 -0.05 -0.02 -0.00 -0.00 0.06 0.09 0.06 -0.12 -0.10 0.08 0.13 -0.14 0.02 0.05 -0.09 0.11 0.03 0.07 0.12 -0.01 -0.06 0.00 -0.05 -0.06 0.06 -0.06 0.06 0.07 0.01 0.08 0.16 -0.19 0.01 -0.08 -0.10 0.25 -0.24 -0.09 -0.02 0.04 0.12 0.29 0.05 -0.13 -0.20 -0.01 -0.09 0.19 -0.06 -0.00 0.04 0.16 -0.13 0.03 0.14 0.12 -0.08 -0.11 -0.04 -0.03 0.00 0.08 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.01 -0.00 -0.02 0.01 -0.01 0.00 -0.01 -0.01 0.00 -0.00 -0.01 0.01 0.01 -0.02 0.00 0.02 0.01 -0.02 -0.01 -0.00 0.02 -0.01 0.01 0.00 -0.00 0.00 -0.00 0.02 0.03 -0.03 -0.00 -0.02 0.01 0.01 -0.05 0.06 -0.01 0.01 -0.01 0.00 -0.00 0.01 -0.01 0.03 -0.01 0.03 -0.02 -0.00 0.01 0.00 0.01 -0.00 -0.01 -0.00 0.01 0.01 0.00 -0.01 0.00 -0.00 -0.00 -0.00 -0.00 -0.03 0.21 0.01 0.02 -0.20 -0.01 0.03 -0.20 -0.00 -0.02 0.20 0.00 0.01 -0.01 0.00 0.02 0.01 -0.03 -0.03 0.01 0.03 -0.04 0.01 0.01 -0.02 0.04 0.01 0.03 0.04 -0.01 -0.03 -0.00 -0.01 -0.02 0.02 -0.01 0.02 0.02 0.01 0.02 0.07 -0.09 -0.01 -0.01 -0.02 0.04 -0.02 -0.01 0.00 0.01 0.02 0.02 0.02 -0.00 -0.03 0.01 -0.01 -0.04 0.45 0.02 0.05 -0.43 -0.02 0.06 -0.43 -0.02 -0.06 0.45 0.01 0.00 -0.01 0.00 -0.00 -0.02 0.01 0.00 -0.00 0.01 0.05 -0.01 0.06 -0.07 -0.01 -0.00 0.04 -0.03 -0.03 -0.11 -0.06 0.05 -0.06 0.02 -0.04 0.02 0.02 0.02 0.07 0.06 -0.04 -0.01 -0.03 0.06 -0.04 -0.03 -0.07 0.03 -0.09 0.16 0.06 0.02 -0.03 -0.00 0.19 -0.22 0.06 0.11 0.04 -0.07 0.08 -0.02 0.15 0.30 0.07 0.03 -0.01 -0.10 -0.03 -0.06 -0.04 -0.02 -0.03 -0.03 0.05 -0.12 -0.02 -0.09 -0.10 0.02 -0.02 -0.00 0.02 -0.03 0.03 0.01 -0.01 -0.03 0.02 -0.00 -0.03 -0.01 0.00 0.03 0.01 0.01 0.00 -0.01 0.01 0.08 -0.09 0.07 0.08 0.04 0.14 0.02 0.06 -0.04 -0.12 0.14 -0.02 -0.06 0.09 0.02 -0.01 -0.05 -0.02 -0.07 -0.07 -0.06 -0.06 -0.09 0.05 -0.31 0.41 0.16 0.08 0.03 0.14 -0.05 -0.14 -0.04 -0.14 -0.12 0.14 -0.14 -0.05 -0.14 -0.10 0.07 -0.05 0.05 0.01 -0.00 -0.08 0.04 -0.00 -0.07 -0.03 0.02 0.06 0.01 0.01 -0.00 -0.02 -0.01 -0.03 -0.01 -0.03 0.01 0.01 -0.04 0.01 -0.04 0.02 0.00 0.03 -0.03 0.01 0.02 0.06 0.03 0.01 -0.06 -0.09 -0.05 0.18 0.08 -0.01 0.01 0.03 -0.00 -0.04 0.03 0.11 -0.06 -0.05 -0.10 0.22 0.01 0.17 0.00 -0.02 -0.04 0.06 0.13 -0.10 -0.06 -0.05 -0.04 0.03 -0.05 0.02 -0.14 -0.13 -0.08 0.00 -0.01 0.05 0.02 0.03 0.03 0.00 0.01 0.02 -0.01 0.07 0.00 0.04 0.06 -0.01 0.01 -0.01 -0.01 0.02 0.01 -0.01 0.01 0.00 -0.02 0.01 0.00 0.01 -0.00 0.01 -0.00 0.00 -0.01 0.01 0.27 0.10 -0.22 -0.12 0.18 0.19 -0.02 0.07 0.15 -0.18 0.05 0.23 0.13 0.13 0.11 -0.05 -0.03 -0.11 -0.07 -0.06 -0.13 -0.04 -0.03 -0.08 0.29 -0.20 0.34 -0.09 -0.05 -0.04 -0.04 0.01 0.06 0.02 0.08 0.08 -0.05 0.08 0.01 0.05 0.06 -0.04 0.03 0.03 0.00 0.01 0.02 -0.03 0.01 0.01 0.02 -0.02 0.02 -0.01 -0.00 -0.01 0.02 -0.00 -0.01 -0.01 0.01 -0.00 -0.00 -0.02 -0.05 0.03 0.10 -0.00 0.06 0.02 -0.06 -0.04 0.05 0.00 -0.05 -0.07 0.12 -0.02 -0.04 0.06 0.01 0.01 0.03 -0.05 -0.01 -0.02 0.00 -0.00 -0.02 -0.02 -0.05 0.05 0.03 0.01 -0.04 -0.01 -0.03 0.04 0.03 -0.01 -0.05 -0.01 -0.10 0.01 -0.01 -0.00 -0.13 -0.01 0.09 0.02 -0.02 -0.15 0.06 -0.00 -0.13 0.06 0.10 0.19 -0.02 -0.08 -0.08 0.09 0.07 -0.00 -0.04 -0.00 -0.00 0.01 0.01 0.00 0.00 0.00 0.00 0.02 0.01 0.01 0.02 0.00 0.02 -0.03 0.01 -0.04 0.06 0.02 0.00 0.03 -0.09 0.15 -0.02 -0.05 0.03 -0.10 0.02 -0.11 -0.13 0.08 0.13 0.01 0.05 0.05 -0.12 -0.01 -0.10 -0.12 -0.08 -0.05 0.05 0.02 0.01 -0.01 0.02 0.41 0.03 -0.15 -0.18 0.08 0.02 0.54 -0.15 -0.19 0.01 0.07 0.06 -0.01 0.06 0.01 0.00 0.02 0.02 -0.01 0.05 -0.00 0.00 0.06 0.00 0.02 -0.05 0.01 -0.01 -0.02 -0.02 0.02 -0.01 -0.01 -0.02 -0.06 -0.00 0.11 -0.05 0.09 -0.01 0.04 0.02 -0.02 -0.01 0.04 -0.13 0.20 -0.01 -0.04 0.08 0.06 0.02 0.00 -0.10 -0.04 -0.04 0.04 0.00 -0.05 -0.04 -0.03 0.16 0.03 0.04 -0.09 -0.05 -0.03 0.07 0.12 -0.01 0.00 0.01 0.04 -0.02 0.02 -0.02 0.08 -0.02 -0.03 -0.02 0.02 0.10 -0.03 0.00 0.09 -0.03 -0.06 -0.10 0.02 0.04 0.04 -0.03 -0.04 0.00 0.04 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 -0.01 0.02 -0.01 0.02 0.01 0.10 0.01 0.00 -0.17 0.24 -0.02 -0.02 0.03 -0.21 0.08 -0.22 -0.21 0.13 0.28 0.02 0.09 0.09 -0.25 -0.07 -0.16 -0.22 -0.17 -0.02 0.25 -0.10 0.03 -0.03 -0.02 -0.19 -0.02 0.08 0.13 -0.03 0.00 -0.29 0.10 0.10 -0.04 -0.01 -0.02 0.00 -0.03 -0.01 -0.00 -0.03 -0.01 0.00 -0.05 -0.00 0.00 -0.05 -0.00 -0.02 0.04 -0.01 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.01 -0.01 0.00 0.02 -0.00 0.12 0.09 -0.05 0.02 -0.01 -0.01 0.01 -0.02 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 0.02 -0.00 0.00 -0.01 0.01 -0.00 0.01 -0.00 -0.00 -0.01 -0.04 0.01 -0.03 -0.03 0.09 -0.01 -0.03 -0.03 0.03 -0.04 0.03 -0.01 -0.03 0.09 -0.03 0.01 -0.04 0.06 -0.02 -0.02 -0.07 -0.02 -0.02 -0.04 0.29 0.06 -0.02 -0.02 0.01 -0.05 -0.03 0.03 0.02 -0.12 -0.05 0.00 -0.12 -0.01 -0.04 0.18 -0.04 0.02 -0.02 0.01 -0.01 -0.00 0.01 -0.02 -0.00 0.00 -0.00 0.02 -0.01 0.02 0.02 -0.01 -0.01 -0.00 -0.01 -0.00 0.01 -0.00 0.01 0.01 0.01 0.02 -0.01 0.01 -0.03 -0.09 -0.03 0.11 -0.12 0.01 0.01 0.00 0.11 0.18 0.02 -0.08 -0.06 -0.02 -0.01 -0.06 -0.32 -0.02 -0.02 -0.33 0.02 0.06 -0.43 -0.07 0.10 -0.42 -0.01 -0.05 0.27 -0.04 -0.02 -0.02 -0.03 -0.01 0.00 0.00 -0.00 0.09 0.07 -0.13 0.10 -0.05 0.01 -0.02 -0.02 0.01 -0.02 -0.05 -0.03 -0.04 0.02 0.10 -0.14 0.16 -0.03 -0.15 -0.11 -0.06 -0.02 0.04 0.00 -0.03 -0.04 0.16 0.19 0.00 -0.03 0.11 -0.06 0.08 0.04 0.13 0.06 0.02 0.02 0.02 0.02 -0.03 0.12 -0.02 0.07 -0.01 0.01 -0.02 -0.04 0.00 -0.01 -0.05 0.01 0.02 0.02 -0.03 -0.00 -0.01 -0.02 0.01 -0.00 -0.01 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.01 0.00 0.00 0.00 0.00 0.01 -0.01 0.00 0.26 -0.36 0.30 0.09 -0.25 -0.12 -0.09 -0.03 0.04 -0.09 0.02 0.04 -0.01 0.01 0.04 0.10 0.00 -0.00 -0.00 -0.10 -0.11 0.02 -0.05 -0.06 0.14 0.40 -0.26 0.04 0.05 0.05 0.03 0.01 -0.04 -0.08 -0.02 -0.02 0.08 -0.05 -0.02 0.06 -0.03 -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 0.01 -0.01 0.00 -0.02 -0.03 -0.02 0.01 -0.01 -0.01 -0.12 -0.01 0.00 0.11 0.05 0.00 -0.00 0.05 0.04 0.02 -0.06 -0.12 0.10 -0.06 -0.07 -0.06 -0.01 -0.09 -0.16 -0.02 0.03 0.15 0.06 -0.09 -0.02 -0.01 0.01 -0.03 0.09 0.17 -0.16 -0.02 0.10 0.02 0.17 0.10 -0.05 -0.05 -0.02 -0.12 -0.02 0.05 0.26 -0.01 0.10 0.02 -0.02 0.02 0.05 -0.01 -0.01 0.13 -0.02 -0.05 -0.01 0.02 -0.02 -0.02 0.03 -0.00 0.02 -0.03 0.01 0.00 -0.00 -0.01 -0.01 -0.01 0.01 -0.00 0.01 -0.01 -0.01 0.01 0.01 -0.01 -0.02 -0.02 0.00 -0.07 -0.08 -0.21 0.00 -0.08 0.05 0.07 -0.05 0.10 0.11 -0.07 0.24 0.15 -0.14 -0.21 -0.05 -0.09 0.02 0.07 0.18 -0.09 0.03 0.10 -0.11 0.01 0.41 -0.10 -0.06 -0.04 -0.04 -0.01 0.04 0.16 0.00 -0.01 -0.07 0.03 0.00 -0.20 0.07 0.06 -0.01 0.04 -0.01 -0.02 0.04 -0.01 -0.01 0.06 0.00 -0.01 0.07 0.01 -0.01 -0.01 -0.02 -0.02 -0.03 -0.02 0.02 -0.01 -0.01 0.08 -0.00 -0.04 -0.03 -0.06 -0.02 -0.02 -0.08 -0.05 -0.03 0.05 0.09 0.10 -0.13 -0.02 -0.13 -0.03 -0.07 0.05 0.00 0.02 0.09 0.02 -0.05 0.01 0.00 0.00 -0.11 0.17 0.16 0.07 -0.01 0.03 -0.01 0.21 0.17 0.06 0.07 0.00 0.17 0.02 -0.07 -0.17 0.02 -0.04 -0.01 0.02 -0.02 -0.03 0.01 0.01 -0.16 0.02 0.06 -0.01 -0.02 0.04 0.05 -0.04 -0.00 -0.03 0.04 -0.03 -0.01 0.01 0.02 0.02 0.02 -0.02 0.00 -0.02 0.02 0.02 -0.02 -0.01 0.02 0.04 0.03 -0.09 -0.02 -0.15 0.12 -0.07 -0.02 -0.02 0.03 -0.00 0.06 0.06 -0.05 0.17 0.10 -0.11 -0.22 -0.01 -0.16 -0.02 0.13 0.08 0.05 0.14 0.15 -0.26 0.24 0.28 0.08 0.10 0.03 0.04 0.01 -0.04 -0.17 -0.00 0.01 0.02 -0.02 0.03 0.26 -0.08 -0.08 0.04 -0.06 0.02 0.03 -0.06 0.01 0.01 -0.11 -0.01 0.00 -0.12 -0.03 0.02 0.02 0.04 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.01 -0.00 0.00 -0.00 0.11 -0.15 0.27 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 0.01 0.02 -0.00 -0.02 0.04 -0.12 -0.01 0.01 -0.01 -0.09 -0.08 -0.17 -0.00 0.22 -0.14 -0.01 -0.22 0.13 0.07 0.15 0.11 0.03 0.02 0.06 0.18 0.07 0.14 0.10 0.04 -0.16 -0.05 0.00 0.07 0.02 -0.02 -0.12 -0.14 -0.04 0.08 -0.20 0.02 -0.16 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.01 0.01 0.00 -0.01 0.00 0.00 0.00 -0.01 -0.01 -0.00 -0.00 0.00 0.00 0.01 0.00 0.00 0.01 -0.01 0.00 0.01 0.03 0.05 0.02 -0.06 0.04 -0.20 -0.03 0.17 -0.18 0.05 0.03 0.14 -0.04 0.10 -0.23 -0.05 -0.11 -0.20 -0.09 -0.10 -0.20 0.08 -0.14 0.09 0.01 -0.13 0.12 -0.17 -0.02 -0.19 -0.01 -0.01 -0.01 0.01 -0.00 -0.00 0.12 -0.01 0.01 -0.08 0.02 -0.01 0.08 0.17 0.05 0.03 0.01 0.03 0.03 -0.10 0.03 -0.05 -0.03 0.00 0.13 0.01 -0.02 -0.03 -0.03 0.02 0.03 0.01 0.01 -0.05 0.07 0.03 0.12 0.07 -0.05 -0.01 0.07 0.07 0.01 -0.06 0.06 -0.19 0.01 0.10 -0.16 -0.04 -0.12 -0.03 -0.00 0.00 -0.02 -0.02 0.03 0.17 -0.00 -0.11 0.05 -0.02 -0.07 -0.12 -0.00 -0.02 0.05 -0.09 0.07 0.01 -0.05 -0.01 -0.06 -0.07 0.06 0.01 0.07 -0.05 -0.05 0.06 0.02 -0.04 -0.10 -0.08 -0.05 0.01 -0.06 0.23 -0.08 0.03 -0.10 -0.02 0.04 -0.02 -0.00 -0.00 0.00 0.01 -0.02 -0.06 0.03 -0.07 -0.02 0.08 -0.03 0.12 0.12 0.10 -0.11 0.16 -0.00 0.05 -0.14 0.01 -0.05 -0.07 0.02 0.13 -0.02 0.01 0.12 0.02 -0.11 -0.35 0.04 0.09 -0.10 0.12 -0.03 -0.09 0.14 0.02 -0.01 0.30 0.00 0.01 0.31 0.06 -0.04 -0.04 -0.08 0.00 0.00 0.00 -0.00 0.00 0.00 -0.02 0.01 -0.02 0.02 -0.01 -0.00 0.00 0.05 0.06 -0.00 0.00 -0.00 -0.01 0.03 -0.02 0.01 -0.00 0.00 -0.04 -0.01 0.01 0.02 0.01 -0.01 -0.01 -0.01 -0.01 0.01 -0.01 -0.00 -0.03 -0.02 0.02 0.00 -0.01 -0.01 0.01 0.03 -0.01 0.08 0.01 -0.02 0.01 -0.00 0.01 -0.03 -0.02 -0.04 0.00 0.03 0.03 -0.09 -0.02 0.01 0.02 0.02 0.04 -0.01 -0.05 -0.02 -0.06 -0.04 0.12 0.05 -0.04 0.27 -0.30 -0.07 -0.01 0.34 0.08 0.00 -0.03 0.04 -0.31 0.07 -0.04 -0.12 0.01 -0.02 0.02 -0.07 0.01 -0.01 0.04 0.02 -0.01 0.02 -0.00 -0.00 0.01 0.00 -0.00 0.00 -0.01 0.01 0.00 -0.02 0.01 -0.05 -0.04 -0.04 0.02 -0.03 0.01 -0.00 0.05 0.00 -0.02 -0.07 -0.03 -0.06 0.02 0.03 0.04 0.06 0.02 0.07 -0.05 -0.11 -0.14 0.00 0.22 -0.28 0.02 0.10 0.30 0.20 -0.08 0.13 0.17 -0.26 -0.22 -0.05 0.15 0.00 0.00 0.00 -0.00 0.00 0.00 -0.02 0.02 -0.04 0.03 -0.05 -0.01 0.14 0.14 -0.03 0.01 0.02 -0.01 -0.02 0.08 -0.05 0.02 -0.02 0.02 -0.09 -0.01 0.06 0.06 0.03 -0.03 -0.05 -0.02 -0.05 0.02 -0.02 -0.01 -0.07 -0.05 0.08 0.01 -0.02 -0.02 0.06 0.11 -0.03 0.19 0.06 0.02 -0.02 -0.06 0.02 -0.05 0.01 -0.04 -0.00 -0.02 0.16 -0.16 0.05 -0.07 0.03 -0.03 0.05 -0.07 -0.15 -0.09 0.07 -0.04 0.04 0.01 -0.07 -0.09 0.04 -0.08 0.08 -0.09 0.06 -0.05 -0.04 0.06 0.15 -0.06 -0.10 -0.04 0.03 -0.06 0.08 -0.14 0.03 -0.01 0.15 0.05 -0.05 0.05 -0.01 0.00 0.04 0.00 -0.00 -0.01 -0.04 0.01 -0.01 -0.06 0.00 -0.14 -0.11 -0.12 0.04 -0.04 -0.01 0.01 0.17 0.01 -0.01 -0.19 -0.01 -0.12 -0.04 0.16 0.16 0.15 -0.05 0.14 -0.19 -0.19 -0.08 0.08 -0.10 0.00 0.08 0.01 -0.10 0.30 0.04 -0.01 0.31 0.18 0.03 -0.02 -0.14 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.04 0.04 0.00 -0.01 -0.05 -0.00 -0.08 -0.05 -0.03 0.09 -0.00 -0.09 -0.00 0.01 0.00 -0.00 0.02 -0.02 0.02 -0.00 -0.01 -0.01 -0.01 0.01 0.01 0.00 0.01 -0.01 0.00 0.00 0.02 -0.03 0.01 -0.01 0.00 0.00 0.03 0.18 -0.04 -0.10 0.24 0.05 -0.03 -0.22 -0.03 -0.09 0.03 -0.15 0.03 0.09 0.11 0.17 -0.11 -0.12 0.16 0.01 0.28 -0.07 -0.17 0.07 -0.07 0.00 -0.08 -0.05 0.03 0.04 0.03 0.04 -0.07 -0.03 -0.04 0.05 0.05 -0.02 -0.06 0.06 0.05 0.07 -0.01 0.03 -0.04 0.01 0.01 -0.01 0.01 0.00 0.01 -0.00 -0.02 0.01 -0.02 -0.01 0.01 0.01 0.01 0.01 0.00 0.00 0.00 0.01 0.00 0.00 -0.01 -0.01 0.01 0.01 0.30 0.04 -0.20 -0.06 -0.08 0.03 -0.10 -0.09 0.15 0.11 0.26 -0.41 -0.07 0.05 0.06 -0.02 0.06 0.06 -0.01 0.02 -0.04 -0.13 -0.05 -0.04 -0.13 -0.10 0.06 0.02 0.09 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.15 -0.05 -0.04 0.02 0.02 -0.04 -0.04 -0.03 0.00 -0.02 0.02 0.06 -0.03 0.10 -0.12 0.03 -0.15 0.17 -0.08 0.05 0.17 0.15 0.07 -0.09 -0.15 -0.07 -0.16 0.02 -0.00 -0.02 -0.03 0.05 0.15 0.01 -0.02 -0.01 0.05 -0.05 0.06 -0.08 0.00 -0.00 -0.12 0.03 -0.06 -0.01 0.01 -0.01 -0.02 0.01 -0.05 0.09 -0.02 -0.00 0.02 -0.01 -0.01 -0.00 0.03 0.04 -0.02 -0.00 -0.02 -0.01 0.02 0.01 0.00 0.02 -0.02 -0.00 -0.02 0.01 0.01 -0.02 -0.03 0.02 0.03 0.02 0.03 -0.20 0.27 -0.04 0.00 0.12 0.35 0.11 -0.11 0.10 -0.00 0.01 0.17 0.04 -0.03 -0.13 -0.11 -0.09 -0.09 -0.09 -0.07 -0.27 -0.19 -0.26 0.03 0.12 -0.20 0.10 -0.08 0.04 -0.02 0.06 -0.01 0.03 -0.00 -0.07 -0.00 -0.07 0.01 -0.12 0.05 0.10 0.02 -0.01 0.02 0.01 -0.00 -0.00 0.00 -0.08 -0.01 -0.01 -0.08 -0.04 0.01 0.01 0.03 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.01 0.01 -0.00 -0.00 -0.01 -0.00 0.01 -0.00 0.00 -0.01 0.00 0.00 -0.00 0.01 -0.00 -0.00 0.00 -0.01 0.00 -0.00 0.00 -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 0.02 -0.01 0.08 -0.02 -0.02 0.01 0.01 0.01 -0.03 0.01 0.03 -0.05 -0.00 0.02 0.04 -0.00 -0.02 0.05 -0.02 -0.06 -0.04 0.01 -0.00 0.02 -0.11 0.01 0.00 0.08 0.00 -0.02 0.07 0.02 0.03 -0.13 -0.02 0.01 -0.14 0.01 -0.02 0.09 -0.01 -0.00 0.01 -0.01 -0.00 -0.00 -0.01 0.01 0.00 0.00 -0.00 -0.00 0.00 -0.01 -0.01 0.01 0.01 0.00 0.01 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.01 -0.00 0.03 -0.01 -0.20 0.03 0.09 -0.23 0.06 0.10 -0.03 0.01 -0.03 -0.19 0.04 0.07 -0.06 0.46 0.02 -0.07 0.48 0.03 0.01 0.08 0.01 0.01 0.09 0.02 -0.08 0.52 -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 0.01 0.02 -0.01 0.01 -0.00 -0.01 0.00 -0.01 -0.00 0.00 -0.00 0.01 0.01 0.01 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.01 -0.00 0.00 -0.00 0.01 0.01 -0.00 -0.01 -0.00 -0.00 -0.01 -0.00 0.01 -0.13 0.05 0.05 -0.01 -0.03 -0.01 0.06 -0.01 -0.05 0.09 -0.01 -0.01 -0.09 0.02 0.02 -0.11 0.03 0.07 0.05 -0.04 -0.03 0.01 -0.05 0.00 -0.00 0.03 0.00 -0.01 0.03 0.01 0.01 -0.06 -0.01 0.01 -0.07 0.00 -0.01 0.03 -0.00 -0.00 0.00 0.01 0.01 0.00 0.01 -0.00 -0.00 -0.00 0.00 0.01 -0.00 0.01 0.01 -0.00 -0.01 -0.00 -0.01 -0.01 0.00 -0.01 0.00 0.00 -0.00 0.00 0.01 -0.02 -0.00 -0.01 0.00 0.40 -0.09 -0.16 0.47 -0.12 -0.17 0.10 0.01 -0.01 0.41 -0.10 -0.17 -0.04 0.26 0.01 -0.03 0.26 0.02 -0.01 0.10 0.00 -0.00 0.10 0.01 -0.04 0.29 0.00 -0.01 -0.01 -0.00 -0.03 0.00 0.00 0.11 -0.11 -0.03 0.06 0.11 -0.01 0.03 0.05 -0.04 -0.03 0.01 0.06 -0.03 0.10 0.01 -0.04 -0.02 -0.22 -0.16 -0.10 -0.03 -0.08 -0.01 0.04 0.10 0.07 0.12 0.08 -0.05 -0.02 -0.13 0.05 0.02 0.32 0.03 0.02 0.09 -0.14 0.11 0.01 -0.00 -0.03 -0.09 0.08 -0.06 -0.04 -0.00 -0.08 -0.01 0.06 -0.02 0.00 -0.00 -0.00 0.05 0.01 0.11 0.00 -0.03 0.06 -0.03 0.01 -0.03 -0.04 -0.02 0.01 0.02 -0.01 -0.03 -0.04 -0.02 0.01 0.02 -0.01 -0.02 0.03 -0.01 0.03 0.01 -0.13 -0.08 -0.15 -0.13 -0.18 -0.06 -0.05 -0.00 -0.03 -0.03 -0.01 -0.19 -0.09 0.06 0.20 0.07 0.20 0.14 0.01 0.14 0.03 -0.01 0.06 -0.06 -0.14 0.30 0.19 -0.18 0.09 -0.02 0.01 -0.09 -0.02 0.01 -0.08 0.08 -0.04 0.11 0.02 -0.02 0.02 -0.01 0.08 0.03 0.02 0.09 0.02 -0.08 0.11 -0.04 -0.04 0.11 -0.03 0.02 0.13 0.02 -0.01 -0.01 -0.01 -0.03 0.00 0.00 -0.00 0.12 -0.01 -0.04 -0.12 -0.05 -0.04 -0.07 0.04 0.02 0.00 -0.03 -0.06 0.14 -0.02 -0.05 -0.11 -0.11 0.14 0.00 0.12 -0.05 0.01 0.02 0.01 0.03 0.01 0.02 -0.04 -0.03 0.04 -0.01 0.18 0.34 0.06 0.04 -0.03 0.14 -0.09 -0.06 0.03 0.05 0.02 -0.08 0.03 0.05 0.01 0.08 0.01 -0.07 0.01 0.01 0.00 -0.00 -0.08 -0.02 -0.13 -0.00 0.03 -0.06 0.03 -0.02 0.03 0.04 0.03 -0.01 -0.02 0.02 0.03 0.05 0.02 -0.02 -0.03 0.01 0.03 -0.04 0.02 -0.03 -0.12 0.01 -0.20 0.22 -0.10 -0.06 0.18 -0.01 -0.08 -0.00 -0.11 0.04 -0.20 -0.16 0.15 0.08 0.03 0.06 0.02 0.02 0.01 -0.01 -0.02 -0.04 -0.18 0.13 0.05 -0.12 0.18 -0.06 0.11 -0.01 0.07 0.17 -0.05 0.01 -0.03 0.01 -0.16 0.02 0.01 -0.02 0.03 -0.11 -0.03 -0.01 -0.14 -0.02 0.09 -0.16 0.03 0.05 -0.19 0.04 -0.02 -0.20 -0.03 -0.00 -0.00 -0.00 -0.01 -0.00 0.00 -0.05 0.05 0.00 -0.02 -0.04 -0.00 0.04 0.03 -0.02 0.00 -0.02 -0.02 -0.01 0.01 -0.00 -0.01 -0.04 0.04 0.11 0.06 0.06 0.01 0.01 -0.00 -0.02 -0.01 -0.03 -0.02 -0.01 -0.01 0.06 -0.00 0.01 0.09 0.02 0.01 -0.11 -0.05 -0.03 0.00 -0.07 -0.03 0.06 0.03 0.01 -0.02 -0.05 -0.03 0.02 0.04 -0.04 -0.03 -0.03 0.04 0.05 0.03 0.07 0.03 0.01 0.04 -0.04 0.14 -0.01 -0.04 -0.07 0.01 0.03 -0.06 -0.05 -0.06 -0.02 0.02 0.02 -0.01 -0.05 0.05 -0.09 0.03 -0.08 0.07 -0.06 0.14 0.03 0.07 0.08 0.01 -0.02 0.02 -0.03 0.01 -0.02 -0.03 0.02 -0.04 -0.01 -0.05 -0.04 0.01 -0.04 0.00 0.01 -0.01 -0.09 0.13 -0.11 -0.18 -0.10 -0.07 -0.05 -0.01 -0.03 -0.17 0.09 0.02 -0.10 -0.01 0.14 -0.05 0.05 0.01 -0.02 0.10 0.03 0.02 0.12 -0.00 -0.14 0.42 -0.04 -0.10 0.43 -0.05 -0.02 0.46 0.04 0.01 0.00 0.00 0.01 0.00 -0.00 0.07 0.04 -0.05 0.01 -0.03 -0.08 -0.02 -0.07 0.02 -0.00 0.01 0.01 -0.00 0.03 -0.02 0.04 0.03 -0.10 0.04 -0.10 -0.09 -0.08 -0.02 0.04 0.02 0.01 0.02 0.06 0.06 0.04 -0.10 0.02 0.28 -0.23 -0.04 -0.02 0.06 0.05 -0.00 -0.03 0.01 0.01 -0.03 -0.02 -0.00 0.01 -0.00 0.04 -0.02 -0.02 -0.01 0.04 -0.03 0.01 -0.03 -0.01 -0.06 0.00 0.03 0.00 -0.02 0.15 0.01 0.01 -0.04 -0.01 0.01 -0.04 -0.02 -0.00 -0.01 0.00 0.00 -0.01 -0.01 0.01 -0.08 0.00 0.15 -0.10 -0.06 0.07 -0.16 -0.33 0.00 -0.02 0.01 -0.10 -0.06 0.08 -0.10 -0.06 0.09 0.04 0.01 0.03 0.02 0.02 0.03 0.02 0.01 0.02 0.17 -0.15 0.13 0.04 0.07 0.01 0.02 0.03 0.03 0.12 -0.03 -0.05 0.03 -0.06 -0.07 -0.01 0.03 0.03 0.01 -0.00 -0.00 0.01 0.01 -0.02 -0.04 0.33 0.03 -0.06 0.35 -0.01 -0.06 0.40 0.02 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.02 0.03 -0.01 -0.00 -0.02 -0.01 0.02 0.05 0.02 -0.01 0.00 0.01 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.04 0.00 0.00 -0.01 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.01 0.03 -0.01 0.00 0.00 -0.02 -0.03 -0.02 0.08 -0.06 -0.04 0.02 0.03 0.02 -0.02 -0.03 -0.01 -0.09 0.04 0.01 0.08 -0.03 -0.02 -0.04 0.03 0.04 -0.08 0.03 0.05 -0.00 -0.04 -0.01 -0.03 0.01 0.01 0.01 0.01 -0.02 -0.04 -0.00 0.01 0.01 0.01 -0.03 0.02 0.02 0.02 -0.00 0.02 -0.03 0.04 -0.01 -0.02 0.02 0.00 -0.00 -0.01 -0.02 0.01 -0.02 -0.01 0.02 -0.01 0.00 -0.01 -0.01 0.01 -0.01 0.00 0.01 0.00 -0.00 0.02 -0.02 -0.06 -0.05 -0.04 -0.20 0.01 0.06 0.41 -0.07 -0.15 0.61 -0.15 -0.19 0.43 -0.06 -0.17 -0.01 -0.02 0.02 0.01 0.03 -0.00 -0.04 -0.11 -0.04 -0.01 -0.08 -0.05 0.04 -0.11 0.01 0.00 0.00 0.00 0.00 -0.00 -0.00 0.01 0.03 -0.04 0.00 -0.02 -0.05 0.05 0.11 -0.03 0.00 -0.02 -0.01 0.00 0.01 -0.01 0.01 -0.01 -0.02 0.11 0.00 -0.03 -0.05 -0.01 0.02 0.00 -0.00 -0.00 0.02 0.02 0.02 -0.04 0.02 0.18 -0.07 -0.00 -0.00 -0.09 -0.09 0.02 -0.02 -0.04 -0.01 0.03 0.04 -0.01 -0.02 -0.03 -0.05 0.06 0.03 -0.03 -0.08 0.03 0.02 0.06 0.02 0.07 0.04 -0.03 0.01 0.02 -0.15 -0.01 -0.03 0.03 0.01 -0.01 0.03 -0.00 -0.03 0.01 0.00 0.01 0.01 -0.01 0.00 0.08 0.01 0.03 0.00 -0.08 0.16 -0.06 -0.18 0.04 -0.01 -0.00 -0.06 -0.06 0.06 -0.07 -0.06 0.07 -0.02 0.00 -0.03 -0.02 0.03 -0.01 0.03 0.03 0.03 0.04 0.03 -0.04 -0.17 -0.16 -0.04 0.10 -0.06 -0.10 -0.31 0.10 0.09 -0.29 0.08 0.20 -0.13 0.01 0.03 -0.03 0.03 0.01 -0.01 0.05 0.02 0.01 -0.32 -0.04 0.04 -0.32 -0.02 0.08 -0.40 -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 0.01 0.00 0.01 0.00 0.00 -0.00 -0.01 0.01 -0.00 0.00 -0.00 -0.01 -0.01 -0.01 0.01 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.01 -0.00 -0.01 -0.01 -0.00 0.00 0.00 0.01 0.00 -0.01 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.01 -0.00 0.01 -0.00 -0.00 -0.01 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.02 0.08 0.01 0.01 -0.08 -0.01 -0.02 0.06 0.00 0.01 -0.06 -0.01 0.00 0.00 0.01 0.01 -0.01 -0.01 -0.01 -0.01 0.02 0.01 0.00 -0.00 0.01 0.00 -0.00 -0.00 -0.00 -0.00 0.01 0.00 0.01 0.00 -0.00 0.00 -0.01 -0.01 -0.01 0.00 -0.01 0.02 0.00 0.01 0.00 0.02 -0.00 -0.01 -0.01 0.01 0.01 -0.03 0.00 -0.00 -0.01 0.00 -0.00 0.05 -0.54 -0.02 -0.06 0.55 0.01 0.04 -0.44 -0.03 -0.07 0.42 -0.00 0.01 -0.02 0.01 0.00 0.00 0.00 0.01 0.00 -0.00 0.02 0.14 0.04 -0.05 -0.07 0.03 0.08 0.05 0.07 0.01 -0.00 -0.01 -0.07 0.10 0.00 0.03 -0.04 -0.16 -0.09 -0.19 0.19 0.06 0.05 -0.03 -0.00 0.04 0.02 0.04 0.08 -0.00 0.12 -0.03 -0.15 -0.14 -0.02 0.01 0.03 0.02 0.04 -0.03 -0.02 0.02 -0.01 -0.01 -0.01 -0.03 -0.03 0.02 0.00 0.01 -0.04 -0.01 -0.03 0.04 -0.01 -0.00 -0.05 0.02 0.01 -0.00 0.01 -0.04 0.01 -0.06 -0.03 0.02 0.01 0.03 -0.05 -0.10 -0.03 0.02 0.02 0.03 -0.09 0.03 0.02 0.03 0.10 -0.11 -0.15 -0.03 -0.23 0.27 0.11 0.03 -0.07 0.11 0.03 -0.06 -0.02 -0.02 -0.00 0.15 0.03 0.14 0.04 -0.05 0.02 -0.07 -0.09 -0.10 0.08 -0.25 0.37 -0.01 -0.01 0.02 0.21 -0.07 -0.07 -0.05 0.05 0.01 -0.14 -0.02 0.01 -0.06 0.03 0.01 -0.08 0.19 0.04 0.03 -0.09 -0.04 -0.14 0.05 -0.08 -0.04 -0.18 -0.13 0.05 -0.10 0.02 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.05 -0.01 0.03 0.02 -0.00 0.16 0.01 0.19 -0.02 0.02 0.02 0.05 -0.06 0.01 -0.02 0.06 0.10 -0.02 0.08 -0.13 -0.02 -0.03 0.01 -0.01 -0.02 -0.01 -0.03 -0.05 -0.01 -0.06 -0.01 0.05 0.10 0.01 -0.00 0.10 0.11 -0.06 -0.00 0.02 0.02 -0.03 -0.04 0.03 -0.04 -0.02 0.07 0.01 -0.02 -0.00 -0.00 -0.06 0.06 -0.03 -0.00 -0.14 -0.00 0.00 -0.05 0.04 -0.03 0.03 -0.12 -0.03 0.05 0.04 0.02 -0.11 -0.20 -0.03 0.03 0.04 0.02 -0.20 0.06 0.03 0.06 -0.06 0.05 0.17 -0.09 0.16 -0.12 -0.11 -0.02 0.05 -0.04 0.02 0.01 0.04 0.04 -0.03 -0.06 -0.02 -0.06 -0.02 0.01 -0.01 0.02 0.03 0.04 -0.04 0.08 -0.15 0.17 0.19 -0.01 0.34 -0.10 -0.06 -0.01 0.06 0.08 -0.17 0.07 -0.10 -0.10 0.03 -0.06 -0.13 0.10 0.07 0.05 0.02 -0.11 -0.26 -0.04 -0.18 -0.13 -0.10 -0.27 0.07 -0.09 0.06 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.02 -0.00 0.00 -0.02 -0.00 -0.00 0.00 -0.01 0.01 -0.00 -0.01 0.02 -0.02 0.04 -0.02 0.05 0.08 0.01 0.00 -0.04 0.01 -0.01 0.01 -0.05 -0.02 -0.04 -0.03 0.08 -0.15 0.01 -0.00 0.03 0.06 -0.02 0.04 -0.01 -0.00 0.02 -0.00 -0.00 0.00 0.00 0.00 -0.01 0.01 -0.01 -0.01 0.00 0.00 -0.01 -0.00 0.00 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 0.01 -0.00 0.00 -0.00 -0.03 0.02 0.17 0.05 -0.05 -0.11 -0.07 -0.02 0.02 0.04 0.04 -0.04 0.01 0.02 -0.04 -0.02 -0.02 -0.04 -0.06 -0.04 -0.08 -0.02 -0.02 -0.05 0.02 -0.60 0.71 -0.03 -0.01 0.01 -0.05 0.00 0.01 -0.02 0.00 -0.00 0.01 -0.02 0.00 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 0.01 0.00 -0.01 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.02 0.03 -0.00 -0.00 -0.02 0.00 -0.04 0.01 -0.03 -0.03 0.02 0.02 0.00 -0.01 0.01 -0.00 0.02 0.01 0.00 -0.01 -0.01 0.01 0.00 -0.00 -0.01 -0.01 -0.01 -0.01 -0.00 -0.00 0.00 -0.01 0.00 0.01 0.00 0.00 0.04 -0.03 -0.05 0.05 -0.04 -0.02 -0.00 0.01 0.03 -0.16 0.01 0.05 -0.04 0.01 0.01 0.06 -0.01 -0.03 0.03 -0.00 0.02 0.02 0.01 0.01 -0.01 0.01 -0.01 0.02 0.01 -0.01 -0.01 -0.00 0.02 0.03 0.01 -0.00 -0.01 -0.00 0.03 -0.01 -0.00 -0.01 -0.01 0.02 0.02 -0.01 0.01 0.00 -0.02 -0.01 -0.01 0.02 0.01 -0.02 -0.00 0.00 -0.01 -0.00 -0.00 -0.01 -0.02 -0.01 -0.02 0.00 -0.00 -0.01 -0.01 -0.00 -0.00 0.03 -0.05 -0.06 0.85 -0.16 -0.31 0.18 -0.04 -0.07 -0.06 -0.01 0.06 -0.14 0.04 0.06 0.02 -0.02 -0.01 -0.00 -0.01 0.02 0.04 -0.01 0.03 0.02 0.02 0.04 -0.01 0.02 -0.01 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.23 -0.05 0.01 -0.13 -0.01 -0.01 0.01 -0.02 0.06 -0.05 -0.04 0.01 -0.03 0.08 -0.02 0.19 0.01 -0.05 -0.08 -0.11 0.07 -0.00 0.00 -0.07 -0.02 -0.03 -0.04 -0.10 0.06 -0.00 -0.08 0.05 0.09 0.03 -0.02 0.06 -0.02 0.29 -0.01 0.00 0.02 -0.00 0.02 -0.10 0.00 -0.01 -0.03 -0.01 0.01 -0.06 -0.00 0.00 0.01 -0.02 -0.03 -0.03 0.01 0.01 0.03 -0.01 0.00 -0.01 0.01 -0.00 -0.00 -0.00 -0.00 0.01 0.01 0.00 -0.00 -0.00 -0.00 0.01 -0.00 0.00 -0.00 -0.07 0.12 0.22 -0.25 0.11 0.05 -0.19 -0.03 0.06 0.13 0.12 -0.13 0.08 0.08 -0.12 0.05 -0.00 0.03 -0.07 -0.10 -0.12 -0.04 -0.06 -0.09 -0.05 0.28 -0.44 -0.11 -0.06 0.24 -0.07 0.01 0.00 -0.06 0.02 -0.06 -0.03 -0.14 -0.01 0.07 -0.02 0.09 0.01 0.01 -0.00 -0.00 0.01 0.01 0.02 0.00 0.01 0.01 -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 0.01 0.00 -0.01 -0.01 0.02 0.02 -0.01 -0.01 -0.00 0.00 -0.01 0.00 -0.01 -0.00 0.00 0.01 0.01 -0.01 0.00 -0.00 0.01 0.00 0.00 0.00 0.01 -0.00 -0.00 0.00 -0.00 -0.01 -0.00 0.00 -0.03 0.01 0.04 -0.00 0.02 0.01 0.00 0.00 -0.02 -0.05 0.03 0.01 0.10 -0.03 -0.03 0.07 -0.01 -0.03 -0.01 -0.00 -0.01 -0.11 0.01 0.03 0.00 -0.01 -0.00 -0.00 0.03 0.00 -0.00 0.03 -0.00 0.00 -0.00 0.00 -0.00 -0.01 -0.00 0.00 -0.03 -0.00 0.00 -0.01 -0.02 0.01 -0.00 -0.00 0.01 0.00 -0.01 -0.01 -0.01 0.01 -0.01 -0.01 0.01 -0.00 -0.00 -0.00 0.01 0.01 0.01 0.00 0.00 0.01 0.00 -0.01 0.02 -0.04 0.01 0.04 0.25 -0.01 -0.09 -0.57 0.13 0.21 0.01 0.02 -0.02 0.59 -0.12 -0.21 0.02 -0.17 -0.01 0.02 -0.17 -0.01 -0.00 0.03 0.00 -0.01 0.04 -0.00 -0.03 0.16 0.01 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.01 -0.01 0.01 -0.00 0.00 -0.00 -0.02 -0.02 -0.02 -0.00 0.01 0.00 -0.00 -0.00 0.00 -0.00 0.01 -0.00 -0.01 -0.01 -0.00 0.00 -0.00 0.00 -0.00 0.00 -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 -0.02 -0.00 0.01 -0.00 -0.01 0.01 -0.01 -0.01 0.01 0.03 -0.01 -0.02 0.03 -0.02 -0.01 -0.00 -0.00 0.00 -0.03 0.03 0.03 -0.02 0.09 0.00 0.02 -0.10 -0.01 0.01 -0.11 -0.00 0.01 0.01 -0.00 -0.00 0.02 0.02 -0.01 0.08 0.00 0.00 -0.00 0.02 -0.01 -0.00 0.00 -0.01 -0.00 0.00 0.00 0.01 -0.01 0.00 0.00 -0.01 0.01 0.00 0.01 -0.00 -0.01 -0.00 -0.00 -0.00 -0.00 0.00 0.01 -0.02 0.03 0.03 -0.02 0.04 -0.03 0.00 -0.21 0.05 0.06 0.00 -0.04 0.01 0.21 -0.02 -0.07 -0.03 0.54 0.02 -0.06 0.55 0.03 0.02 -0.04 0.01 0.02 -0.08 0.02 0.06 -0.48 -0.02 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.06 0.04 -0.05 0.02 -0.03 0.02 0.00 -0.04 0.02 0.06 -0.05 -0.05 0.01 -0.01 -0.14 0.02 -0.16 0.08 -0.02 0.15 0.02 -0.11 -0.03 -0.01 0.12 0.03 0.05 0.01 0.05 -0.04 -0.02 -0.04 -0.04 -0.03 -0.01 0.01 -0.01 -0.00 0.24 0.07 0.03 -0.01 0.01 0.02 -0.09 -0.04 0.05 -0.00 -0.04 0.01 0.01 0.01 0.01 0.00 -0.03 -0.02 -0.05 0.02 -0.02 -0.01 0.00 0.03 0.01 -0.00 -0.03 0.00 0.01 -0.02 -0.01 -0.01 -0.00 0.00 0.00 0.00 -0.01 -0.00 0.02 0.00 0.01 -0.01 -0.21 -0.10 0.22 -0.03 0.17 0.05 -0.02 -0.27 -0.15 0.21 0.00 -0.04 0.12 -0.13 -0.05 -0.05 0.18 0.16 0.29 -0.01 0.05 0.13 -0.01 -0.10 0.20 -0.14 0.03 0.25 0.20 0.04 -0.09 0.18 -0.05 -0.07 0.01 -0.01 -0.07 -0.13 -0.01 0.11 -0.02 0.13 0.01 -0.01 0.13 -0.01 -0.01 0.00 -0.00 -0.01 -0.01 -0.02 0.01 -0.11 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.01 0.12 0.01 0.01 -0.07 0.01 -0.01 0.09 -0.07 -0.05 0.04 0.05 0.02 -0.01 -0.11 0.01 -0.06 0.06 -0.07 0.06 -0.06 -0.07 -0.05 -0.01 0.08 0.05 0.02 -0.02 0.01 -0.02 0.01 -0.05 -0.00 0.00 0.00 0.01 0.18 0.03 -0.11 -0.11 -0.07 0.04 -0.03 -0.03 0.06 0.03 -0.14 0.00 0.02 0.01 -0.08 -0.02 -0.04 0.01 0.02 -0.01 0.03 0.01 0.07 0.06 -0.01 -0.04 -0.03 0.01 0.02 -0.01 -0.02 0.02 0.01 0.03 0.01 -0.01 -0.00 -0.00 0.04 0.01 -0.02 0.00 -0.00 -0.02 0.01 -0.26 0.27 0.14 -0.01 0.04 0.06 -0.23 -0.05 0.14 0.10 0.05 0.00 -0.05 -0.06 0.05 0.21 0.08 0.29 -0.12 -0.05 -0.01 -0.04 -0.02 0.06 0.23 -0.03 -0.15 -0.24 -0.20 0.12 -0.19 0.09 0.02 -0.10 -0.20 0.13 0.18 0.04 -0.03 0.03 -0.10 -0.02 -0.01 -0.13 0.02 0.04 -0.02 0.01 0.02 0.00 0.05 0.01 0.10 -0.01 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.01 -0.00 -0.01 0.00 0.00 -0.01 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.09 -0.04 -0.00 -0.00 -0.00 0.03 0.02 -0.03 -0.04 0.04 0.01 -0.11 -0.02 0.00 0.11 -0.01 0.01 -0.02 -0.01 0.01 0.03 0.01 0.00 0.01 0.01 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.07 -0.11 -0.07 0.08 0.20 0.36 0.19 -0.02 -0.25 -0.11 0.24 0.31 0.10 0.04 0.34 0.21 0.13 -0.18 -0.14 -0.35 0.32 0.11 0.07 -0.01 -0.04 0.04 0.01 -0.01 -0.00 -0.01 0.01 -0.00 -0.00 -0.00 0.01 -0.01 0.01 0.00 0.01 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.01 -0.08 -0.00 -0.01 0.08 0.00 -0.01 0.09 0.00 0.01 -0.10 -0.00 -0.00 0.01 -0.00 0.00 -0.01 0.02 -0.00 0.00 0.01 -0.00 0.00 0.00 -0.01 0.00 0.00 0.01 0.01 -0.00 0.01 0.00 0.01 0.00 -0.00 0.00 -0.00 -0.00 -0.01 -0.00 -0.00 0.00 -0.01 0.01 0.01 -0.00 -0.01 0.00 -0.00 0.00 -0.00 0.01 -0.01 -0.00 -0.01 0.00 0.00 -0.04 0.44 0.03 0.05 -0.42 -0.01 0.07 -0.52 -0.03 -0.07 0.56 0.02 0.00 -0.04 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.06 -0.01 0.03 -0.01 0.00 -0.01 0.00 -0.02 0.01 0.00 -0.01 -0.01 -0.01 -0.00 -0.03 0.03 -0.01 0.01 0.02 -0.06 -0.07 0.01 -0.05 0.01 0.02 0.09 -0.01 -0.05 -0.00 -0.01 0.02 0.02 0.05 0.00 0.02 0.02 -0.10 -0.01 -0.03 0.02 0.00 -0.01 0.01 0.01 -0.00 -0.01 0.04 -0.00 0.01 -0.01 0.02 0.00 0.01 -0.00 -0.02 0.01 0.01 0.01 -0.02 -0.02 0.00 0.01 0.01 -0.00 -0.00 0.00 0.01 -0.00 -0.00 -0.01 -0.00 0.00 0.00 0.00 -0.01 -0.00 0.00 -0.00 -0.02 0.01 0.03 -0.21 0.23 0.58 -0.21 -0.02 0.10 -0.06 0.09 -0.01 0.13 0.11 -0.11 0.13 -0.05 0.24 0.21 -0.06 0.22 -0.24 -0.21 -0.23 -0.09 -0.00 0.05 -0.11 -0.01 -0.03 0.07 0.07 -0.04 -0.03 -0.01 0.03 0.14 0.06 -0.06 -0.11 0.01 -0.00 -0.00 0.00 0.00 0.00 0.03 -0.00 -0.01 0.02 0.00 -0.00 -0.01 -0.01 -0.01 -0.01 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.01 0.00 0.01 0.00 -0.00 0.00 0.00 0.01 -0.01 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.01 -0.01 -0.02 0.02 0.01 -0.01 -0.00 -0.01 -0.00 -0.01 0.01 0.01 -0.00 0.00 0.00 -0.01 -0.01 0.00 -0.00 -0.00 -0.00 0.02 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.03 -0.01 -0.00 0.07 -0.02 -0.02 -0.00 -0.01 0.00 -0.12 0.02 0.04 0.08 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 0.01 -0.04 0.06 0.04 -0.05 -0.14 0.03 0.02 0.00 -0.04 -0.02 0.03 0.02 0.01 0.01 -0.01 0.01 -0.03 -0.03 0.01 -0.04 0.04 0.03 0.04 0.02 0.00 -0.01 0.01 0.02 0.00 0.07 -0.05 -0.03 -0.39 0.09 0.14 0.67 -0.18 -0.23 -0.41 0.10 0.16 0.00 -0.01 -0.00 -0.01 0.00 0.00 0.00 -0.01 -0.00 0.00 -0.02 0.00 0.00 0.02 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.11 0.02 0.06 0.01 -0.03 0.01 -0.00 0.01 -0.00 0.01 -0.01 -0.02 0.03 -0.00 -0.04 -0.00 0.06 -0.04 -0.08 0.06 0.04 -0.04 -0.08 -0.03 -0.00 0.01 0.02 -0.00 -0.02 0.02 0.02 -0.03 -0.03 0.01 0.00 -0.01 -0.13 0.04 -0.02 0.02 -0.01 -0.01 0.01 0.00 -0.01 -0.00 -0.01 0.02 -0.02 0.01 -0.00 -0.00 -0.01 0.00 0.03 -0.00 -0.00 -0.01 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.01 -0.01 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.01 0.00 0.01 -0.01 0.00 0.04 -0.25 0.49 0.12 -0.18 -0.42 -0.06 0.09 0.14 -0.34 -0.01 0.21 0.30 0.16 -0.07 0.08 0.04 0.04 -0.01 -0.03 -0.04 0.03 -0.01 -0.02 0.02 0.01 -0.05 -0.12 0.07 0.00 0.05 -0.02 -0.00 0.12 -0.03 -0.06 -0.13 0.02 0.06 0.05 -0.01 -0.05 0.01 0.00 -0.01 -0.01 0.02 0.01 0.00 -0.03 0.00 0.01 -0.06 0.00 -0.00 0.05 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.01 -0.02 -0.01 -0.00 0.01 -0.00 0.00 0.01 -0.01 0.01 -0.01 -0.01 -0.01 0.00 0.01 -0.00 -0.01 -0.00 0.01 -0.01 -0.00 0.01 0.01 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.01 0.00 -0.00 0.00 0.00 -0.01 0.03 0.02 0.01 -0.00 0.00 0.00 -0.00 -0.01 -0.01 -0.02 0.01 -0.01 0.00 -0.01 0.00 -0.01 0.00 -0.00 -0.01 -0.00 0.00 0.01 0.01 0.00 -0.00 -0.00 0.01 -0.03 -0.03 -0.03 -0.03 0.01 -0.01 0.08 0.00 -0.01 0.08 0.01 0.04 -0.10 0.02 -0.00 0.01 -0.04 -0.00 0.02 0.06 -0.00 -0.01 -0.01 0.04 0.01 -0.03 -0.03 -0.01 0.00 0.01 0.00 0.01 -0.00 -0.01 -0.00 -0.00 -0.01 -0.01 -0.00 -0.00 0.01 -0.01 0.06 0.04 0.01 -0.06 0.01 0.02 0.00 -0.01 -0.02 -0.04 0.01 0.01 0.01 0.01 -0.01 0.22 -0.02 -0.06 0.18 0.01 0.07 -0.51 -0.03 0.06 -0.48 -0.01 -0.05 0.59 0.04 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.10 -0.01 -0.00 0.05 -0.01 0.00 0.06 -0.03 0.04 -0.03 -0.04 -0.01 0.00 0.01 -0.00 -0.01 -0.01 0.02 -0.01 -0.01 0.02 0.00 0.01 -0.01 0.01 -0.00 0.00 0.00 0.00 -0.00 0.03 0.01 -0.01 0.00 0.00 -0.07 0.16 0.07 0.04 0.00 0.01 0.01 -0.01 -0.04 -0.08 -0.15 -0.11 -0.02 -0.09 0.07 -0.01 -0.05 0.02 -0.00 -0.03 -0.04 0.07 0.21 0.09 0.00 -0.01 -0.01 0.03 0.03 -0.13 -0.14 -0.00 0.03 0.00 -0.03 -0.01 0.00 -0.03 0.01 0.10 0.05 0.10 0.00 -0.00 -0.05 0.03 -0.00 0.13 -0.05 -0.02 0.01 0.07 0.04 -0.06 -0.02 -0.00 -0.03 0.06 0.01 0.06 0.00 -0.04 -0.02 -0.02 -0.04 -0.06 -0.00 0.01 0.01 -0.07 0.31 0.17 -0.03 -0.40 -0.09 0.12 -0.11 0.04 -0.13 -0.24 0.06 0.12 0.20 0.12 0.05 -0.13 -0.14 -0.14 -0.13 0.02 -0.03 0.22 -0.02 -0.04 0.18 0.02 0.15 -0.20 0.08 -0.00 0.00 0.00 -0.00 0.00 0.00 0.02 -0.03 0.01 0.00 0.02 -0.00 -0.00 0.04 -0.02 0.02 -0.01 -0.02 -0.01 -0.01 0.01 -0.01 -0.01 0.01 -0.00 -0.01 -0.02 0.01 0.03 0.00 0.00 -0.01 0.01 0.01 0.01 -0.00 -0.01 0.00 0.00 -0.00 -0.00 -0.00 -0.05 0.07 0.02 0.01 -0.04 -0.01 0.00 -0.00 -0.02 0.09 0.00 0.29 -0.02 0.22 -0.22 0.00 -0.02 0.01 -0.01 -0.01 0.03 -0.06 -0.24 -0.06 -0.01 -0.00 -0.00 0.05 0.03 -0.18 -0.19 -0.01 0.04 0.01 -0.02 -0.01 0.00 -0.02 0.01 0.13 0.04 0.15 0.00 0.04 -0.10 -0.05 0.05 0.10 0.04 -0.03 -0.06 0.10 -0.01 -0.05 -0.08 -0.05 0.03 -0.01 0.00 -0.02 -0.02 0.01 -0.02 0.03 0.03 0.03 0.01 -0.00 0.01 -0.01 0.18 0.10 0.17 -0.03 0.28 -0.02 0.24 -0.22 0.05 -0.14 0.03 -0.12 -0.22 -0.09 0.06 -0.07 -0.20 -0.19 -0.09 0.03 -0.02 0.16 -0.03 -0.04 0.13 0.02 0.17 -0.14 0.14 0.00 0.00 -0.00 0.00 0.00 0.00 0.02 -0.09 -0.00 -0.00 0.04 -0.01 -0.01 0.07 -0.05 0.04 -0.02 -0.04 -0.02 -0.00 0.02 -0.01 -0.02 -0.00 0.01 -0.01 -0.02 0.02 0.02 0.01 -0.01 0.00 0.01 0.01 0.01 -0.00 -0.01 0.02 0.01 -0.00 -0.00 -0.00 -0.07 0.17 0.06 0.03 -0.04 0.01 0.00 -0.01 -0.04 -0.00 -0.13 0.12 -0.03 0.09 -0.11 -0.01 -0.04 0.01 -0.01 -0.03 0.00 0.01 -0.01 0.03 -0.03 -0.02 -0.04 -0.06 -0.00 0.22 0.21 0.03 -0.05 0.04 0.00 -0.01 -0.01 -0.00 0.05 -0.15 -0.02 -0.17 0.00 0.01 -0.09 -0.01 0.03 0.13 -0.00 -0.03 -0.03 0.10 0.02 -0.07 -0.07 -0.03 -0.00 0.03 0.01 0.02 -0.02 -0.02 -0.03 0.01 -0.00 -0.01 0.01 0.00 0.01 -0.05 0.35 0.19 0.08 -0.39 0.15 0.05 0.09 -0.13 -0.04 -0.33 0.08 0.00 -0.01 0.04 -0.04 -0.08 0.23 0.22 0.00 -0.05 0.04 0.04 0.01 0.03 -0.00 0.05 -0.15 -0.02 -0.19 0.00 0.00 0.00 -0.00 0.00 0.00 0.16 0.06 0.08 0.01 -0.03 0.01 0.00 -0.00 0.00 0.00 -0.00 -0.01 -0.02 -0.02 0.01 -0.04 0.00 0.05 -0.10 -0.02 -0.09 -0.00 0.10 0.00 0.05 -0.08 0.02 0.03 0.01 -0.01 -0.01 -0.05 -0.01 0.01 -0.02 -0.01 -0.13 0.01 -0.05 0.00 -0.00 -0.01 0.01 0.00 0.00 -0.01 0.01 -0.03 -0.01 -0.03 0.03 -0.00 -0.00 -0.00 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 0.01 0.07 -0.17 -0.30 0.19 0.11 0.28 -0.03 -0.21 0.23 -0.12 -0.08 -0.32 -0.22 0.18 -0.25 -0.04 -0.26 -0.07 0.16 0.02 0.16 0.20 0.29 0.06 -0.02 -0.02 -0.10 0.01 -0.05 -0.00 0.03 -0.04 0.02 -0.06 -0.00 -0.01 0.05 0.01 -0.00 0.04 -0.04 -0.00 0.01 0.00 0.00 0.00 0.01 -0.00 -0.02 0.01 0.00 -0.00 -0.00 -0.00 0.01 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.01 0.00 -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 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.01 0.01 -0.00 0.01 -0.01 -0.00 0.00 -0.01 0.00 -0.00 0.01 0.00 0.00 0.00 0.01 0.00 0.01 0.09 0.02 -0.04 -0.03 -0.01 0.09 -0.13 -0.02 0.11 0.10 0.02 -0.14 -0.09 -0.01 -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 0.02 0.01 0.00 -0.04 0.02 -0.01 -0.00 -0.02 -0.00 -0.04 0.02 0.00 0.00 0.00 0.41 0.02 0.04 0.07 -0.01 0.53 -0.05 -0.03 0.47 0.44 0.06 -0.05 -0.12 -0.01 -0.07 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.05 -0.03 -0.02 -0.01 0.01 -0.01 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.02 0.01 -0.01 0.02 0.09 -0.04 0.04 -0.07 0.02 -0.06 0.03 -0.04 0.04 -0.04 -0.03 -0.04 -0.02 -0.00 0.03 0.03 0.01 0.01 0.01 0.01 0.02 0.00 0.01 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.01 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.02 -0.23 0.59 -0.01 0.02 0.43 0.29 0.09 -0.09 -0.15 -0.16 0.16 -0.06 -0.10 0.17 -0.23 -0.08 -0.19 0.04 0.14 0.13 0.00 0.09 0.14 -0.04 -0.02 0.01 -0.01 0.01 0.01 0.00 -0.00 0.00 0.01 0.02 0.01 -0.00 -0.01 -0.00 0.00 -0.01 0.01 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.01 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.01 0.00 -0.01 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.01 -0.01 -0.01 -0.00 0.01 -0.00 0.00 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 -0.01 -0.01 0.00 0.01 0.00 0.00 0.01 -0.00 -0.01 -0.00 -0.01 0.00 -0.01 0.01 -0.03 -0.01 0.03 -0.04 -0.00 -0.10 0.10 0.01 0.04 0.08 0.01 -0.01 -0.01 0.00 -0.07 -0.05 -0.01 0.07 -0.00 -0.03 0.04 -0.01 0.02 0.02 -0.01 -0.01 -0.00 0.02 0.00 -0.01 -0.02 -0.01 -0.00 0.02 0.01 0.01 -0.01 -0.01 -0.02 0.01 0.00 -0.00 0.00 0.00 0.01 -0.00 -0.01 -0.01 -0.01 -0.04 -0.00 0.02 0.05 0.04 -0.01 -0.02 -0.01 0.02 -0.03 0.08 -0.42 -0.02 -0.21 0.21 0.01 0.49 0.13 0.00 0.13 -0.29 -0.04 -0.16 -0.37 -0.06 0.38 -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 -0.01 -0.00 -0.01 0.00 0.00 -0.00 0.00 0.00 0.01 0.00 0.01 -0.00 -0.01 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.01 -0.00 -0.00 -0.01 -0.00 -0.00 0.00 0.00 0.00 -0.02 -0.01 -0.04 0.02 0.02 0.03 0.00 -0.01 0.01 -0.03 -0.02 -0.08 0.03 0.12 0.02 0.01 0.01 0.01 -0.05 -0.02 -0.11 0.01 -0.08 0.08 -0.01 0.00 -0.01 0.01 -0.00 0.01 -0.01 -0.00 -0.00 -0.01 -0.00 0.00 0.00 -0.00 0.01 0.00 0.00 -0.01 0.00 0.03 -0.04 -0.00 -0.01 -0.01 -0.00 0.01 0.01 -0.01 0.00 0.00 0.01 0.01 -0.01 -0.02 -0.01 -0.01 0.00 0.01 0.01 -0.00 0.01 0.01 -0.00 -0.00 -0.00 -0.02 -0.08 -0.09 -0.04 -0.08 -0.07 0.22 0.42 0.32 -0.05 -0.02 -0.12 0.19 -0.28 0.66 0.07 0.01 0.03 -0.02 0.00 -0.04 -0.01 -0.00 -0.00 0.05 0.01 0.03 0.04 0.01 -0.04 0.00 0.00 0.00 0.00 0.00 0.00 -0.02 0.01 -0.01 0.01 -0.03 0.01 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.02 -0.01 -0.01 -0.05 -0.09 -0.10 0.01 0.12 -0.05 0.02 0.02 0.06 -0.06 -0.01 0.05 0.06 0.02 0.01 0.02 -0.00 0.01 -0.03 -0.01 -0.01 0.01 -0.01 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.01 0.00 0.00 0.00 -0.00 0.00 -0.00 0.01 -0.01 -0.00 -0.01 -0.01 -0.00 0.00 0.00 -0.00 0.01 0.01 0.00 -0.01 -0.01 -0.44 0.49 -0.12 0.30 0.22 -0.13 -0.11 -0.03 0.21 0.06 -0.15 -0.20 -0.07 -0.02 0.20 0.13 0.07 -0.15 -0.12 -0.24 0.18 0.03 -0.01 -0.01 0.04 0.09 -0.03 -0.03 -0.02 -0.01 0.03 -0.01 0.01 0.02 0.02 0.00 0.02 -0.01 0.01 -0.02 0.03 0.03 0.00 0.02 -0.02 -0.00 -0.05 -0.01 0.01 0.00 0.03 0.00 0.02 0.04 0.00 -0.04 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.03 0.02 0.01 0.00 0.02 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.03 0.17 -0.03 0.14 -0.05 -0.02 0.06 -0.03 0.01 0.03 -0.08 0.04 0.01 -0.12 0.02 -0.11 -0.02 -0.02 -0.08 -0.03 -0.03 -0.01 0.03 0.03 -0.00 -0.00 0.00 0.00 0.01 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.01 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.01 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.13 -0.02 -0.03 -0.13 0.16 0.09 -0.37 -0.04 0.20 -0.05 0.21 -0.06 0.13 0.15 -0.22 -0.14 0.07 -0.32 -0.22 0.16 -0.17 0.27 0.24 0.32 -0.19 0.01 0.06 0.07 0.01 0.02 0.00 -0.05 0.02 -0.02 -0.03 -0.03 -0.00 -0.02 0.01 -0.01 0.01 -0.02 -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 0.01 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.04 0.02 0.01 0.00 0.03 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.14 -0.08 0.00 0.22 -0.02 -0.03 0.01 0.00 0.04 -0.08 0.08 0.02 -0.09 0.04 0.00 -0.18 -0.05 -0.02 -0.07 -0.04 -0.05 -0.01 0.06 0.05 -0.01 -0.00 -0.00 0.00 0.01 0.01 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.27 -0.04 -0.07 -0.11 0.09 -0.22 0.24 -0.03 -0.18 0.09 -0.20 0.03 -0.30 -0.21 0.26 0.25 0.08 0.21 -0.04 -0.22 -0.17 -0.01 -0.14 -0.25 -0.28 0.01 0.02 0.06 0.00 0.01 -0.01 -0.02 0.01 -0.01 -0.01 -0.01 -0.00 -0.03 0.00 -0.00 0.01 -0.00 0.01 -0.00 0.00 0.00 -0.00 0.01 -0.00 0.00 -0.02 -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 0.06 -0.04 0.01 -0.00 -0.01 0.00 0.01 -0.00 0.01 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.01 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.01 0.06 0.02 -0.05 -0.12 -0.05 -0.00 0.00 -0.01 -0.00 0.01 -0.02 0.01 -0.03 0.05 0.02 -0.10 0.12 -0.00 0.03 -0.02 -0.01 -0.04 0.00 -0.04 -0.01 -0.04 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.02 0.00 0.00 -0.01 -0.00 0.02 -0.00 -0.00 -0.01 0.02 0.00 -0.02 -0.01 0.00 -0.01 -0.02 -0.01 0.00 0.00 0.00 -0.01 0.01 0.01 -0.00 -0.00 0.01 -0.01 -0.01 0.00 -0.01 0.01 0.01 0.01 -0.01 0.00 0.00 0.10 0.27 0.17 0.04 0.67 -0.18 0.16 0.21 0.30 0.03 0.27 -0.09 -0.06 0.01 -0.18 0.10 0.01 0.02 0.04 -0.01 0.17 0.04 0.00 0.05 -0.06 -0.01 0.01 0.05 0.01 -0.06 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.01 -0.01 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.01 0.00 -0.01 -0.01 -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 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.01 -0.00 -0.01 0.00 0.00 -0.02 -0.00 0.00 -0.02 0.06 0.01 0.01 -0.04 -0.01 0.04 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.01 0.03 0.02 0.01 0.07 -0.02 0.03 0.04 0.05 -0.00 -0.01 0.00 -0.01 0.01 -0.04 -0.01 -0.00 -0.01 -0.07 -0.00 -0.33 -0.06 0.01 -0.24 0.58 0.07 0.16 -0.47 -0.08 0.45 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.01 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.01 0.02 0.01 -0.01 -0.03 -0.01 -0.00 -0.00 -0.00 -0.00 -0.03 0.02 -0.02 -0.04 -0.03 -0.00 -0.01 0.00 0.01 0.08 -0.01 0.01 -0.01 0.03 -0.01 -0.00 -0.01 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.01 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.01 0.06 0.03 0.00 -0.09 0.03 -0.18 -0.31 -0.31 0.09 0.69 -0.17 0.13 -0.14 0.44 0.01 -0.00 0.00 0.00 -0.00 0.01 -0.00 0.00 -0.02 0.03 0.00 0.01 -0.03 -0.01 0.03 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 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 0.01 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 0.01 0.00 0.02 -0.05 -0.01 -0.02 -0.00 0.00 -0.03 0.01 -0.00 0.07 0.03 0.00 -0.01 0.02 0.00 -0.01 0.01 0.00 -0.01 -0.00 -0.00 -0.01 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.01 0.00 0.00 0.01 0.03 0.02 0.00 0.04 -0.01 0.01 0.01 0.02 0.00 0.03 -0.00 0.01 -0.01 0.02 -0.54 -0.04 -0.16 -0.08 0.00 -0.37 0.15 -0.02 0.63 0.22 0.03 0.05 0.15 0.03 -0.14 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.06 -0.05 -0.01 -0.01 -0.04 -0.00 -0.00 -0.01 0.01 0.00 -0.00 -0.00 -0.16 -0.06 -0.09 0.10 0.04 0.02 -0.13 0.04 -0.04 0.05 0.03 0.05 0.06 0.01 0.05 -0.13 -0.04 -0.02 0.19 0.11 0.09 0.02 0.03 0.03 0.02 0.02 -0.00 -0.01 -0.04 -0.01 0.00 0.00 -0.00 0.00 0.01 -0.00 -0.00 -0.00 -0.00 -0.01 0.03 -0.03 0.01 0.01 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 -0.00 -0.00 -0.00 -0.01 0.00 0.00 0.00 0.56 -0.30 -0.12 0.08 -0.18 -0.20 -0.03 -0.10 -0.07 0.24 0.10 -0.18 -0.08 0.04 -0.11 0.00 0.01 0.01 0.04 0.06 0.07 0.07 0.07 0.12 0.07 -0.17 -0.15 -0.30 -0.02 -0.06 -0.00 0.03 -0.01 0.03 0.04 0.04 0.01 -0.03 0.03 0.01 -0.01 0.04 -0.01 0.00 -0.00 -0.00 0.00 -0.02 -0.01 0.00 -0.03 -0.02 -0.00 -0.01 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.01 -0.02 0.01 0.00 -0.00 0.00 0.04 0.06 -0.00 -0.00 0.00 0.00 -0.02 -0.01 -0.01 0.01 0.00 0.00 -0.01 0.00 -0.00 0.01 0.00 0.00 0.01 0.00 0.00 -0.01 -0.00 -0.00 0.01 0.01 0.01 0.00 0.00 0.00 -0.00 -0.02 -0.00 0.08 0.16 0.09 -0.00 -0.02 0.01 -0.00 0.01 -0.01 -0.00 0.02 -0.01 0.02 -0.14 0.14 -0.04 -0.01 -0.10 0.01 -0.02 0.03 -0.11 -0.01 -0.11 -0.02 -0.00 -0.02 -0.01 0.00 -0.04 0.05 0.01 0.00 0.01 -0.00 0.05 -0.01 -0.00 -0.00 0.06 -0.03 -0.01 0.02 -0.03 -0.01 -0.01 -0.01 -0.01 0.02 0.01 -0.02 -0.00 0.01 -0.01 -0.00 -0.00 0.00 0.01 0.01 0.01 0.00 0.01 0.01 0.01 -0.02 -0.01 -0.26 -0.50 -0.37 0.01 0.10 -0.02 -0.17 -0.25 -0.31 -0.05 -0.02 -0.11 -0.08 0.06 -0.26 0.09 0.01 0.01 0.02 -0.00 0.14 0.10 0.01 0.19 0.16 0.02 0.10 0.00 0.00 -0.01 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.04 -0.05 0.00 -0.02 -0.01 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.17 0.10 0.03 0.01 -0.04 -0.00 -0.10 -0.06 -0.02 -0.06 -0.03 -0.01 -0.05 -0.04 0.00 0.03 0.00 0.01 0.19 0.10 0.05 -0.01 -0.01 -0.01 0.02 0.02 -0.00 0.00 -0.02 0.01 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.01 -0.01 0.01 -0.02 0.00 0.01 0.01 0.00 -0.00 0.00 0.01 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.25 0.28 -0.14 -0.48 0.27 -0.25 -0.01 0.06 0.07 -0.17 -0.04 0.10 0.02 -0.03 0.07 -0.01 0.06 -0.11 -0.15 -0.04 -0.19 0.04 -0.04 -0.05 -0.18 0.16 0.11 -0.36 -0.06 -0.09 0.01 0.06 -0.02 0.00 0.00 -0.01 -0.00 -0.04 0.02 0.01 -0.01 0.03 -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 -0.02 0.01 0.00 0.01 0.00 -0.13 0.05 -0.18 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 -0.01 -0.01 -0.00 0.00 0.00 0.01 0.04 0.02 0.04 0.03 0.07 -0.00 -0.02 0.01 -0.00 -0.00 -0.00 0.00 0.02 -0.01 0.00 -0.11 0.06 -0.01 -0.01 -0.03 0.00 -0.01 0.01 0.22 0.01 0.21 0.05 0.01 0.03 0.04 0.00 0.07 -0.08 -0.01 0.01 0.00 0.00 -0.09 0.00 0.00 -0.01 0.00 -0.01 0.01 0.04 -0.03 0.04 -0.01 -0.01 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.01 0.00 0.01 -0.00 0.00 0.00 0.01 -0.01 -0.01 -0.13 -0.31 -0.26 0.04 0.39 -0.11 -0.09 -0.13 -0.18 -0.02 -0.05 -0.03 0.01 -0.03 0.04 -0.24 -0.03 -0.03 -0.03 -0.00 -0.26 -0.18 -0.01 -0.32 -0.29 -0.03 -0.18 -0.03 -0.00 0.01 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.01 0.02 -0.01 -0.00 -0.02 -0.00 -0.04 0.02 -0.06 -0.01 -0.00 0.01 0.01 0.00 -0.01 0.01 -0.00 0.00 -0.02 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.01 -0.00 -0.00 0.00 0.05 0.03 0.02 0.00 0.00 0.00 -0.01 -0.14 -0.04 -0.02 0.13 -0.12 0.00 0.03 -0.01 -0.00 -0.06 0.02 0.03 0.04 0.06 0.07 0.01 0.17 -0.03 -0.09 -0.02 -0.02 -0.01 -0.03 -0.01 -0.00 0.08 0.04 0.01 0.00 0.01 0.00 -0.02 -0.01 -0.00 -0.03 0.04 0.01 -0.01 -0.02 -0.00 0.02 0.00 0.01 -0.01 -0.08 0.04 -0.07 0.01 0.01 0.01 0.00 0.01 -0.01 -0.01 -0.00 -0.01 0.00 0.01 -0.01 -0.01 -0.00 -0.02 0.01 -0.00 0.00 -0.00 0.00 -0.00 0.03 0.37 0.33 -0.05 -0.55 0.15 0.02 0.05 0.07 0.03 0.36 -0.15 -0.07 0.05 -0.26 0.04 0.00 0.00 -0.01 -0.00 -0.12 0.01 0.00 0.06 -0.15 -0.02 -0.07 0.01 0.00 -0.02 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.01 0.02 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.09 -0.01 0.21 0.00 -0.05 -0.06 0.06 0.03 -0.01 0.02 -0.01 -0.06 0.03 0.01 -0.06 -0.02 -0.00 -0.00 0.01 -0.01 -0.00 -0.00 -0.01 -0.01 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.32 -0.36 -0.06 -0.37 0.41 -0.36 0.15 0.15 0.06 -0.03 0.00 -0.01 0.24 0.06 0.05 -0.15 -0.17 0.03 0.07 0.07 0.09 -0.26 -0.03 0.03 -0.05 0.01 0.03 -0.02 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.01 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 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 0.01 -0.06 -0.03 -0.01 0.01 -0.00 0.00 -0.02 -0.01 -0.01 -0.02 0.00 0.01 -0.04 -0.01 -0.00 0.00 -0.00 -0.01 0.01 0.07 0.06 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.12 -0.13 -0.16 -0.06 0.07 0.11 -0.04 0.03 0.04 -0.08 -0.02 0.05 0.00 -0.02 0.04 -0.08 -0.01 -0.04 -0.05 -0.07 -0.12 -0.00 -0.04 -0.06 0.67 -0.48 -0.42 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.01 0.00 0.00 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 -0.02 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 0.01 0.01 0.01 -0.00 0.00 0.00 -0.00 -0.07 -0.03 0.00 0.06 -0.01 0.00 0.01 -0.01 0.01 -0.00 0.02 0.01 0.01 0.01 0.01 -0.03 0.03 -0.01 -0.01 -0.01 0.00 -0.00 0.01 0.19 0.04 -0.17 -0.10 -0.01 0.00 -0.01 -0.01 0.09 0.02 -0.00 0.16 -0.16 -0.02 -0.02 0.08 0.01 -0.07 0.00 -0.01 0.01 -0.03 0.02 -0.02 0.01 -0.00 -0.00 0.00 0.00 -0.01 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.02 0.23 0.19 -0.01 -0.09 0.04 -0.00 0.01 0.01 -0.00 0.03 -0.03 -0.01 0.01 -0.03 -0.37 -0.04 -0.07 0.05 0.01 0.39 -0.13 0.00 -0.43 0.45 0.05 0.17 0.02 0.00 -0.01 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.02 0.00 -0.03 -0.01 -0.00 -0.00 -0.01 -0.00 -0.01 0.01 -0.00 -0.01 0.00 0.00 -0.00 0.00 0.00 0.00 -0.02 -0.01 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.05 0.02 0.02 0.00 0.00 0.00 -0.08 0.06 0.05 0.01 -0.02 -0.02 0.01 -0.03 0.02 0.00 0.03 -0.01 -0.02 -0.03 -0.03 0.01 0.02 0.02 -0.00 0.00 -0.00 0.01 -0.02 0.04 0.02 0.01 -0.01 -0.01 -0.00 -0.00 0.00 -0.00 0.02 0.00 -0.00 0.02 -0.01 -0.00 -0.01 0.01 0.00 -0.01 0.00 0.01 -0.00 -0.06 0.03 -0.05 0.02 0.01 0.00 0.00 0.01 -0.01 -0.00 0.00 -0.01 -0.00 0.01 -0.01 -0.01 0.00 -0.01 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.72 -0.42 -0.22 -0.02 -0.28 0.06 0.09 0.13 0.13 0.02 0.20 -0.06 -0.06 0.06 -0.20 -0.00 -0.00 -0.00 -0.00 0.00 -0.02 -0.01 -0.00 -0.03 0.01 0.00 0.00 -0.01 -0.00 0.01 -0.00 -0.00 0.00 0.00 0.00 0.00 0.01 -0.01 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 -0.00 -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 -0.03 -0.01 -0.01 -0.00 -0.00 -0.00 0.04 0.01 -0.00 -0.00 -0.02 0.01 -0.00 0.01 -0.01 0.00 0.04 -0.01 -0.02 -0.03 -0.04 0.00 0.00 0.00 0.00 0.02 -0.01 0.01 -0.02 0.05 -0.01 0.00 -0.00 -0.11 -0.01 -0.05 0.05 -0.00 0.13 0.02 0.00 0.05 -0.05 -0.01 -0.03 0.09 0.01 -0.08 -0.01 0.00 0.00 0.04 -0.02 0.03 0.00 0.00 0.00 -0.01 -0.00 0.01 -0.00 -0.01 0.00 0.00 -0.00 0.01 0.01 -0.00 0.01 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.37 0.01 -0.04 -0.02 -0.21 0.05 0.07 0.12 0.12 0.01 0.13 -0.04 -0.06 0.05 -0.17 0.48 0.04 0.11 -0.09 0.01 -0.44 0.07 -0.00 0.21 -0.24 -0.03 -0.09 -0.23 -0.04 0.22 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.01 0.01 -0.02 -0.01 -0.00 -0.00 0.02 0.01 0.01 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 0.00 -0.00 -0.00 -0.00 0.04 0.02 0.02 0.00 0.00 0.00 -0.06 -0.03 -0.01 0.01 0.03 -0.01 0.01 -0.00 0.01 -0.01 -0.08 0.02 0.04 0.07 0.07 -0.00 -0.01 0.00 -0.01 -0.03 0.01 -0.02 0.04 -0.09 -0.02 -0.00 -0.01 -0.06 -0.01 -0.03 0.02 -0.00 0.06 0.02 0.00 0.02 -0.02 -0.00 -0.01 0.05 0.01 -0.04 -0.01 0.01 0.01 -0.07 0.04 -0.07 0.00 -0.01 -0.01 0.01 0.00 -0.01 0.01 0.01 -0.01 0.00 0.01 -0.00 -0.00 0.00 -0.01 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.52 0.06 0.11 0.03 0.38 -0.09 -0.14 -0.24 -0.24 -0.03 -0.24 0.06 0.09 -0.08 0.28 0.28 0.03 0.06 -0.04 0.01 -0.22 0.05 0.00 0.14 -0.12 -0.01 -0.04 -0.12 -0.02 0.12 0.00 0.00 0.00 -0.00 0.00 0.00 0.02 -0.01 0.02 0.01 0.00 0.00 -0.00 -0.03 0.02 0.00 0.00 -0.00 0.02 0.01 0.03 -0.00 -0.00 -0.00 -0.00 0.02 -0.02 0.00 -0.00 -0.01 -0.00 -0.00 -0.01 0.00 0.00 0.00 -0.05 -0.02 -0.02 0.00 -0.01 -0.01 0.05 0.13 0.07 -0.06 -0.05 -0.14 -0.01 -0.02 0.00 -0.03 -0.15 0.01 0.04 0.09 0.07 0.07 0.17 0.08 -0.01 -0.15 0.06 -0.04 0.04 -0.13 0.02 0.01 -0.03 -0.02 -0.00 -0.01 0.00 -0.00 0.01 0.01 -0.00 0.03 -0.03 -0.00 -0.00 0.01 0.00 -0.01 0.09 -0.05 -0.08 0.15 -0.11 0.15 -0.03 0.03 0.03 -0.03 -0.02 0.03 0.01 -0.03 0.05 -0.02 -0.01 -0.01 -0.01 -0.00 -0.01 -0.01 -0.01 -0.01 -0.05 0.04 0.03 -0.38 -0.53 -0.45 -0.01 0.07 -0.06 -0.02 -0.01 -0.04 0.04 0.27 -0.05 0.01 -0.00 -0.01 -0.03 -0.00 -0.01 0.01 0.00 0.07 -0.01 0.00 -0.06 0.10 0.01 0.04 0.02 0.00 -0.02 0.00 0.00 0.00 -0.00 0.00 0.00 -0.01 0.01 -0.01 0.01 -0.03 0.01 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.08 0.06 0.08 -0.02 -0.00 0.00 -0.08 0.07 -0.07 -0.01 -0.01 -0.03 -0.01 -0.01 -0.01 -0.00 0.00 0.01 0.00 0.01 0.01 0.01 -0.04 -0.03 -0.02 -0.02 -0.01 0.01 0.01 0.01 0.00 0.00 0.00 0.00 0.01 0.00 -0.00 -0.01 -0.00 -0.01 -0.02 -0.01 0.00 0.02 -0.01 0.00 -0.00 0.01 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.42 -0.24 -0.32 0.37 -0.30 0.40 -0.06 0.11 0.12 -0.09 -0.04 0.06 0.05 -0.08 0.15 -0.08 0.02 -0.11 -0.06 -0.01 -0.10 -0.04 -0.07 -0.07 -0.22 0.15 0.12 0.12 0.07 0.07 0.00 -0.01 0.01 -0.00 -0.01 -0.01 -0.01 -0.04 0.01 0.00 -0.00 0.01 0.01 0.00 0.00 -0.00 -0.00 -0.01 0.00 0.00 0.01 -0.01 -0.00 -0.00 -0.01 -0.00 0.01 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.05 0.03 0.02 -0.01 -0.01 -0.00 -0.02 0.01 -0.01 -0.10 -0.04 0.05 -0.06 -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 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.02 -0.01 -0.06 0.06 -0.05 0.10 0.46 0.00 -0.10 0.24 0.07 -0.32 0.31 0.32 -0.15 0.27 -0.04 0.21 0.09 0.02 0.26 0.17 0.26 0.20 0.03 -0.02 -0.03 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.01 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.02 0.02 -0.02 -0.01 -0.02 0.02 -0.01 0.06 0.02 -0.05 -0.05 -0.03 -0.09 -0.01 -0.00 -0.00 0.01 0.01 0.00 -0.00 0.01 0.01 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.06 0.05 0.00 0.02 -0.03 -0.00 -0.33 0.08 0.14 -0.18 -0.04 0.22 -0.18 -0.27 0.19 0.32 -0.11 0.33 0.12 0.05 0.32 0.13 0.36 0.32 0.05 -0.04 -0.04 0.03 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.01 0.03 -0.01 -0.00 -0.00 0.00 0.00 0.00 0.00 0.05 0.01 -0.09 -0.13 0.09 0.07 0.08 -0.07 0.07 0.01 0.00 0.02 -0.05 -0.01 -0.00 0.00 0.02 0.02 0.00 -0.01 -0.01 0.03 -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 0.53 -0.37 -0.24 -0.25 0.22 -0.12 -0.10 -0.12 -0.07 -0.09 -0.03 0.12 -0.11 -0.01 -0.10 0.15 0.14 -0.04 0.12 -0.07 0.24 0.30 0.05 -0.10 -0.11 0.11 0.09 -0.01 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.01 -0.00 -0.00 0.00 -0.01 0.00 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 0.01 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.03 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.01 -0.00 -0.00 0.00 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 0.02 -0.14 0.16 -0.00 0.00 -0.00 -0.04 -0.02 -0.11 0.03 0.11 0.02 0.05 0.17 0.03 -0.03 -0.02 -0.08 0.02 -0.08 0.10 -0.04 -0.00 0.03 0.01 0.00 -0.04 0.04 0.00 0.02 0.03 0.00 0.04 -0.03 -0.00 -0.05 -0.04 -0.01 0.03 -0.01 0.01 0.01 -0.00 -0.00 -0.00 0.06 0.08 0.07 -0.03 0.12 -0.04 -0.06 -0.05 0.01 -0.04 -0.01 -0.02 0.04 -0.06 0.02 0.07 0.00 -0.03 -0.00 0.00 0.00 0.10 0.26 0.16 -0.05 0.03 -0.14 -0.21 -0.29 -0.40 -0.04 0.00 -0.11 -0.15 0.09 -0.46 0.03 0.01 -0.03 0.02 0.01 -0.10 -0.02 0.00 -0.18 0.14 0.02 -0.00 0.17 0.03 -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 -0.00 0.00 0.00 -0.02 -0.01 0.00 0.01 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.04 -0.02 -0.02 0.02 0.01 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.01 -0.01 0.00 -0.00 0.00 0.00 0.00 0.01 -0.00 -0.01 0.00 -0.00 -0.02 0.00 0.00 0.00 0.01 -0.00 0.01 -0.01 0.01 0.00 -0.00 -0.00 -0.00 0.00 -0.01 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.01 0.00 0.00 -0.00 -0.05 0.03 0.04 0.00 -0.00 -0.02 0.19 0.34 0.30 -0.05 0.42 -0.22 -0.15 -0.19 0.11 -0.22 -0.00 -0.13 0.23 -0.33 0.16 0.39 0.01 -0.19 -0.00 -0.00 0.00 -0.02 -0.02 -0.01 0.01 0.00 0.01 0.01 0.02 0.03 0.00 -0.01 0.01 0.01 -0.01 0.05 -0.01 -0.00 0.00 -0.00 -0.00 0.01 0.00 -0.00 0.02 -0.02 -0.00 0.00 -0.02 -0.00 0.02 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.02 -0.01 -0.02 -0.00 0.00 0.00 0.01 -0.01 0.01 -0.03 0.01 -0.03 -0.01 -0.02 0.02 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.01 -0.00 0.01 -0.00 0.00 -0.01 0.01 0.00 0.01 0.01 0.00 0.01 -0.01 -0.00 -0.01 -0.01 -0.00 0.01 -0.03 0.01 0.03 -0.02 0.02 -0.04 -0.26 0.15 0.20 0.35 -0.28 -0.20 0.36 -0.05 0.47 0.15 0.26 -0.20 -0.01 0.19 0.21 0.09 -0.12 -0.16 0.03 -0.02 -0.02 -0.01 -0.00 -0.00 0.00 -0.00 0.00 0.01 0.01 0.01 0.00 0.00 0.00 0.00 -0.00 0.01 0.02 0.00 -0.01 0.01 0.00 -0.03 -0.00 0.00 -0.05 0.04 0.01 0.00 0.05 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 0.02 0.02 -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 0.01 -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 -0.01 0.04 -0.05 0.00 -0.00 0.00 0.01 0.01 0.03 -0.01 -0.04 -0.00 -0.01 -0.06 0.00 0.01 0.03 0.02 -0.01 0.02 -0.04 -0.10 -0.02 0.09 -0.03 0.00 -0.10 0.10 0.01 0.04 0.10 0.01 0.08 -0.08 -0.01 -0.11 -0.10 -0.02 0.10 0.01 -0.01 -0.01 0.00 -0.00 0.01 0.06 -0.04 -0.05 -0.08 0.06 0.05 -0.08 0.01 -0.11 -0.05 -0.06 0.04 0.02 -0.07 -0.03 0.01 0.03 0.02 -0.01 0.01 0.01 -0.03 -0.08 -0.05 0.01 -0.04 0.05 0.06 0.07 0.12 0.01 -0.07 0.06 0.06 -0.05 0.18 0.21 0.02 -0.05 0.05 0.01 -0.23 0.01 0.02 -0.37 0.36 0.05 0.01 0.44 0.07 -0.42 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.01 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.02 -0.03 -0.04 -0.02 0.02 0.02 0.01 -0.01 0.01 -0.00 -0.03 -0.00 0.02 -0.03 0.00 -0.00 0.00 0.00 -0.01 -0.01 -0.00 0.00 -0.01 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.01 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 0.06 -0.04 -0.02 -0.03 0.02 -0.01 0.19 0.27 0.23 -0.08 0.40 -0.18 -0.20 -0.17 0.04 0.32 0.13 0.06 -0.26 0.43 -0.09 -0.38 -0.09 0.11 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 -0.02 0.01 0.01 -0.01 0.02 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 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 0.08 0.03 -0.03 -0.02 -0.02 0.03 -0.02 0.03 0.01 0.00 -0.03 -0.04 -0.00 -0.00 -0.01 -0.01 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 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -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 0.02 0.04 -0.03 0.01 0.12 -0.14 -0.18 -0.22 0.06 0.19 -0.16 0.06 -0.28 0.20 0.39 -0.35 0.03 0.30 0.40 0.15 -0.19 -0.29 0.05 -0.04 -0.04 0.01 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.01 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.02 0.00 -0.03 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.01 0.03 0.02 -0.05 -0.10 -0.07 -0.00 -0.00 0.00 0.00 0.10 -0.04 0.03 -0.02 0.09 0.06 0.00 0.14 0.02 0.18 -0.05 -0.05 -0.08 -0.08 0.05 0.01 0.04 -0.05 -0.01 0.01 0.00 0.00 -0.06 -0.00 0.00 -0.05 -0.05 -0.01 0.01 0.04 0.00 0.01 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.03 -0.02 -0.02 0.02 -0.05 0.01 0.03 0.01 0.01 -0.01 -0.01 0.00 0.00 -0.01 -0.00 0.01 0.00 0.00 -0.00 0.00 0.00 -0.03 -0.05 -0.04 -0.05 -0.47 0.10 -0.11 -0.27 -0.12 -0.07 -0.55 0.15 0.04 -0.19 0.18 0.14 0.01 0.07 0.06 0.00 0.18 0.06 0.00 0.19 0.15 0.02 0.07 -0.00 -0.00 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 0.02 0.00 0.02 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.01 0.01 -0.02 -0.02 -0.05 0.00 -0.00 0.00 0.00 0.03 -0.01 0.01 -0.01 0.04 0.02 -0.00 0.05 0.01 0.08 -0.02 -0.02 -0.03 -0.03 -0.10 -0.00 -0.12 0.12 0.01 -0.02 -0.03 -0.01 0.11 -0.00 -0.01 0.15 0.14 0.02 0.02 -0.05 -0.00 -0.09 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.01 -0.01 -0.01 0.00 -0.02 0.01 0.01 0.01 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.02 -0.03 -0.03 -0.02 -0.15 0.04 -0.04 -0.10 -0.04 -0.03 -0.22 0.06 0.01 -0.07 0.06 -0.41 -0.04 -0.18 -0.15 0.00 -0.32 -0.16 -0.00 -0.44 -0.43 -0.05 -0.16 -0.12 -0.01 -0.06 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.01 0.01 0.00 0.00 -0.01 0.00 0.01 0.00 0.01 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.01 0.01 -0.01 0.00 0.00 0.00 0.00 -0.00 0.03 -0.06 0.10 -0.23 0.00 0.00 0.00 0.01 -0.16 0.12 0.04 -0.01 0.13 -0.04 0.04 -0.13 -0.01 0.15 -0.13 0.06 -0.11 0.23 -0.05 -0.00 -0.11 0.16 0.01 0.12 0.08 0.00 0.20 -0.09 -0.01 -0.20 -0.15 -0.01 -0.11 0.05 0.00 0.09 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.01 0.01 0.01 -0.00 0.01 -0.01 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.05 -0.14 -0.08 0.06 0.26 0.02 -0.04 -0.17 -0.00 -0.06 -0.22 -0.04 -0.10 0.06 -0.29 -0.25 -0.03 0.01 -0.02 0.01 -0.25 0.02 -0.01 0.28 0.22 0.03 -0.00 0.10 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 0.02 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 -0.01 -0.01 0.04 0.04 0.08 -0.00 -0.00 -0.00 -0.02 -0.05 -0.03 -0.05 -0.07 -0.09 0.03 0.05 0.07 0.02 0.03 0.04 -0.03 0.00 -0.08 -0.26 -0.04 0.17 0.27 0.03 -0.02 0.12 0.02 -0.12 -0.13 -0.02 0.10 -0.27 -0.04 0.03 0.27 0.04 -0.19 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.02 0.04 0.03 -0.01 0.09 -0.06 0.06 0.12 0.10 0.02 -0.00 0.05 0.02 -0.06 0.08 -0.30 -0.03 -0.19 0.19 0.02 0.08 -0.18 -0.03 -0.04 0.26 0.03 0.21 -0.24 -0.04 0.31 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.01 -0.00 0.01 0.00 0.01 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -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 -0.02 0.04 -0.09 0.17 -0.00 -0.00 -0.00 -0.00 0.16 -0.10 -0.03 0.02 -0.09 0.04 -0.07 0.14 0.01 -0.12 0.10 -0.06 0.09 -0.20 -0.03 0.01 -0.22 0.13 0.01 0.14 0.06 -0.00 0.27 -0.08 -0.00 -0.24 -0.10 -0.01 -0.13 -0.01 -0.01 0.14 -0.01 0.01 0.00 0.00 -0.01 0.00 -0.01 -0.00 -0.00 0.00 -0.01 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.01 -0.00 -0.00 0.04 0.11 0.06 -0.05 -0.26 0.00 0.02 0.11 -0.02 0.05 0.16 0.03 0.09 -0.06 0.26 -0.26 -0.03 0.04 -0.08 0.01 -0.33 0.05 -0.00 0.29 0.15 0.02 -0.06 0.15 0.02 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.01 0.00 0.00 -0.00 0.00 -0.00 0.02 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 -0.01 0.00 0.00 -0.00 -0.00 0.01 0.03 0.02 -0.09 -0.18 -0.13 0.00 0.00 -0.00 0.07 0.29 0.02 0.13 0.24 0.20 -0.11 -0.26 -0.16 -0.06 -0.23 -0.03 0.06 0.11 0.10 -0.09 -0.02 0.07 0.07 0.01 -0.02 0.04 0.01 -0.05 -0.03 -0.01 0.04 -0.07 -0.01 0.01 0.07 0.01 -0.06 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.01 0.00 0.00 0.00 0.00 -0.00 -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 -0.04 0.00 -0.39 0.21 -0.17 -0.25 -0.30 -0.02 0.21 -0.16 0.02 0.17 -0.03 -0.05 -0.01 -0.06 0.06 0.00 0.03 -0.05 -0.01 -0.03 0.08 0.01 0.06 -0.07 -0.01 0.08 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.01 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.01 0.02 0.10 -0.06 -0.06 -0.00 0.00 -0.02 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.30 0.37 0.30 0.01 -0.02 0.01 0.19 -0.33 -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 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.26 0.18 0.14 0.02 -0.02 0.02 0.02 0.00 -0.01 0.00 0.00 -0.00 -0.01 -0.00 0.00 0.02 0.01 -0.01 -0.01 0.01 0.01 -0.01 -0.01 -0.01 0.53 -0.15 -0.13 -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 0.01 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 0.04 -0.03 0.02 0.16 -0.45 0.11 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.04 0.01 -0.00 -0.00 0.02 0.09 -0.06 0.04 -0.00 0.01 -0.00 0.00 0.01 -0.00 -0.01 0.02 0.01 -0.32 0.68 -0.21 0.01 -0.02 -0.01 -0.03 0.03 -0.00 0.01 -0.02 0.02 0.01 0.00 0.00 -0.00 0.02 -0.01 -0.00 0.01 -0.01 0.00 -0.01 0.01 -0.00 -0.02 0.01 -0.00 0.01 -0.02 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.01 0.02 0.01 -0.19 0.22 -0.14 0.04 -0.01 -0.03 -0.01 -0.02 0.02 -0.01 0.01 -0.01 0.00 0.01 -0.00 0.00 0.01 0.00 -0.05 -0.05 -0.05 0.02 -0.00 0.00 0.10 0.03 -0.01 -0.01 -0.03 -0.00 0.00 0.00 -0.02 0.00 0.02 -0.00 0.01 -0.00 0.02 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.01 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.37 -0.24 -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 0.06 -0.04 -0.07 -0.00 -0.01 -0.01 -0.50 0.33 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 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.01 -0.04 -0.03 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.01 0.00 -0.01 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 -0.00 0.00 0.00 0.00 -0.00 0.04 -0.12 0.12 -0.06 -0.04 -0.07 -0.10 0.16 0.09 0.26 -0.40 -0.31 -0.33 -0.17 0.19 -0.19 0.49 -0.39 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 0.03 0.00 -0.04 -0.01 -0.00 -0.01 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.13 -0.40 0.39 -0.19 -0.12 -0.22 -0.32 0.53 0.31 -0.08 0.12 0.09 0.10 0.05 -0.06 0.06 -0.15 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 -0.01 0.03 -0.01 0.04 -0.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.06 -0.20 0.20 -0.02 0.00 -0.01 0.11 -0.18 -0.12 -0.30 0.47 0.39 0.04 -0.00 -0.02 -0.17 0.45 -0.38 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.03 0.08 -0.02 -0.02 0.03 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.15 -0.48 0.49 -0.03 0.00 -0.03 0.28 -0.44 -0.28 0.13 -0.20 -0.16 -0.00 0.00 0.00 0.07 -0.19 0.16 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.01 0.05 -0.07 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.07 -0.58 0.81 -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 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.06 -0.03 0.06 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.02 -0.02 0.00 -0.00 0.01 -0.01 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.13 -0.23 -0.16 0.73 0.36 -0.38 -0.10 0.22 -0.17 -0.05 -0.04 -0.03 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.04 -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 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.02 -0.02 -0.01 -0.00 -0.00 0.00 0.05 -0.17 0.15 0.59 0.38 0.64 -0.11 0.16 0.09 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.01 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 0.02 0.02 0.01 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.05 -0.05 -0.04 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.21 -0.23 -0.12 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.01 -0.00 -0.01 -0.00 -0.00 0.00 0.00 -0.01 -0.00 0.05 0.03 -0.03 -0.00 0.01 -0.01 0.62 0.56 0.42 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.01 -0.01 -0.00 0.00 -0.05 -0.01 0.01 0.01 0.00 -0.02 0.02 0.00 0.03 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.01 -0.01 -0.00 0.00 -0.05 -0.01 0.01 0.01 0.00 -0.04 0.04 0.00 0.04 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 0.05 0.04 0.03 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.04 -0.01 0.13 0.17 0.02 -0.04 0.56 0.08 -0.14 -0.14 -0.03 0.47 -0.41 -0.04 -0.43 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.02 0.02 0.01 -0.03 -0.03 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.01 0.01 0.01 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.01 -0.02 -0.00 0.01 0.04 0.01 -0.01 0.01 0.00 -0.04 0.00 -0.00 0.00 -0.21 -0.22 -0.12 0.36 0.38 -0.05 0.00 0.00 -0.00 -0.01 -0.00 -0.01 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.01 0.00 -0.00 0.00 0.00 -0.00 -0.09 -0.08 -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 0.04 0.01 -0.13 0.23 0.03 -0.06 -0.48 -0.07 0.12 -0.14 -0.04 0.49 -0.03 -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 0.02 0.02 0.01 -0.04 -0.04 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 -0.01 0.02 0.00 -0.00 -0.04 -0.00 0.01 -0.01 -0.00 0.03 0.00 0.00 -0.00 -0.22 -0.23 -0.12 0.47 0.49 -0.06 0.00 -0.00 0.00 -0.01 -0.00 -0.01 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.01 0.01 -0.00 0.00 0.00 -0.00 -0.07 -0.07 -0.05 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.01 0.00 0.00 0.00 -0.03 -0.01 0.11 -0.19 -0.02 0.05 0.40 0.06 -0.10 0.12 0.03 -0.40 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 -0.03 0.03 -0.00 0.00 -0.00 -0.02 -0.01 -0.06 0.01 0.03 0.01 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.01 -0.01 0.01 0.00 0.01 -0.04 0.40 -0.38 0.28 0.15 0.68 -0.09 -0.32 -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 -0.04 -0.05 -0.02 -0.03 -0.03 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 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.52 0.55 0.29 0.34 0.36 -0.04 0.00 -0.01 0.01 0.02 0.01 0.02 -0.00 0.00 0.00 0.00 -0.01 -0.00 0.03 0.01 -0.01 -0.00 0.00 -0.00 0.19 0.17 0.13 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.03 0.00 -0.01 -0.03 -0.00 0.01 -0.01 -0.00 0.03 0.03 0.00 0.03 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.01 0.00 -0.02 -0.05 -0.01 0.01 -0.03 -0.00 0.01 0.01 0.00 -0.01 -0.04 -0.00 -0.04 -0.03 -0.03 -0.01 -0.01 -0.01 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -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 -0.07 -0.02 0.25 0.54 0.07 -0.13 0.32 0.05 -0.08 -0.05 -0.01 0.17 0.47 0.05 0.50 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 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 0.01 0.01 0.02 -0.01 -0.05 -0.01 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.01 -0.01 -0.01 -0.01 -0.02 -0.05 0.53 -0.50 -0.09 -0.06 -0.23 0.16 0.58 0.14 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -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 -0.06 -0.01 0.01 0.00 0.00 -0.00 -0.01 -0.00 0.04 0.02 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 0.01 -0.01 -0.00 -0.00 -0.01 -0.00 -0.01 -0.00 0.10 0.03 -0.38 0.69 0.08 -0.16 -0.02 -0.00 0.01 0.13 0.03 -0.46 -0.21 -0.02 -0.21 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.03 -0.02 0.00 0.00 0.00 -0.02 -0.01 -0.05 -0.02 -0.06 -0.01 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.01 0.02 -0.28 0.26 0.22 0.12 0.54 0.18 0.65 0.16 0.01 0.00 -0.03 0.01 0.00 -0.00 0.01 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 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 -0.07 -0.02 -0.00 0.00 0.03 0.00 -0.01 -0.01 -0.00 0.02 0.02 0.00 0.02 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.01 0.01 0.01 0.00 0.01 0.01 0.02 0.00 -0.22 -0.06 0.82 0.20 0.02 -0.05 -0.32 -0.05 0.08 0.06 0.01 -0.21 -0.18 -0.02 -0.19 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -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 -0.08 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 -0.01 -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 0.36 0.20 0.91 -0.00 0.01 -0.01 -0.01 -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 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 0.99922 0.02777 0.028 -0.02752 0.99958 -0.00902 -0.02824 0.00824 0.99957 asymmetric 1 0.00788 0.00424 0.00384 0.16425 0.08844 0.08011 936151.9 19.30 34.61 42.40 52.06 64.65 78.46 87.02 92.26 101.73 129.73 145.99 169.40 196.28 232.39 252.57 273.03 306.72 312.68 337.55 349.39 357.12 365.04 409.16 420.74 434.25 473.49 525.82 572.35 593.73 605.63 610.67 619.38 638.85 679.18 692.17 710.51 740.85 807.03 829.83 835.00 861.63 902.75 919.87 938.37 951.27 1014.37 1019.84 1039.35 1053.18 1103.86 1141.96 1151.72 1159.00 1214.77 1221.61 1241.30 1287.04 1296.99 1310.69 1319.33 1336.78 1357.06 1386.80 1413.71 1424.52 1428.47 1435.06 1442.47 1452.33 1458.75 1460.64 1464.88 1486.24 1503.27 1543.82 1577.48 1583.81 1588.73 1616.63 1649.86 1681.80 1690.64 1700.27 1715.34 1781.46 1783.94 1809.69 1830.34 1857.28 1880.95 1885.27 1903.24 1928.33 1934.99 1937.40 1958.13 1973.18 2031.70 2042.45 2078.41 2112.07 2117.59 2126.51 2128.37 2142.04 2153.87 2179.64 2187.91 2334.91 2341.60 2357.86 2361.47 2376.21 2431.75 3328.50 4354.56 4364.00 4439.31 4444.09 4464.13 4474.75 4523.86 4562.48 4565.16 4576.42 4577.03 4577.64 4585.77 4591.78 4594.14 4603.04 4607.27 4608.35 4628.29 0.356561 0.382762 0.383706 0.296273 -6278.446243 -6278.420043 -6278.419099 -6278.506531 240.186 98.252 184.017 0.000 0.000 0.000 0.889 2.981 44.533 0.889 2.981 36.866 238.409 92.290 102.617 1 0.593 1.987 7.428 2 0.593 1.985 6.267 3 0.593 1.984 5.865 4 0.594 1.982 5.458 5 0.595 1.979 5.029 6 0.596 1.976 4.646 7 0.597 1.973 4.441 8 0.597 1.971 4.326 9 0.598 1.968 4.134 10 0.602 1.956 3.656 11 0.604 1.948 3.426 12 0.608 1.935 3.137 13 0.614 1.917 2.854 14 0.622 1.890 2.532 15 0.627 1.873 2.375 16 0.633 1.854 2.230 17 0.644 1.821 2.016 18 0.646 1.815 1.981 19 0.654 1.788 1.843 20 0.659 1.775 1.782 21 0.662 1.766 1.743 22 0.665 1.757 1.705 23 0.683 1.703 1.507 24 0.688 1.688 1.460 25 0.694 1.670 1.407 26 0.712 1.617 1.265 27 0.739 1.543 1.099 28 0.764 1.475 0.971 29 0.776 1.443 0.917 30 0.783 1.425 0.889 31 0.786 1.417 0.877 32 0.792 1.404 0.857 33 0.804 1.374 0.814 34 0.829 1.312 0.732 35 0.837 1.292 0.707 36 0.849 1.264 0.674 37 0.870 1.217 0.622 38 0.917 1.116 0.522 39 0.933 1.082 0.491 40 0.937 1.074 0.485 41 0.957 1.034 0.452 0.537782e+28 27.730606 63.852081 0.476729e+12 11.678271 26.890214 0.100000e+01 0.000000 0.000000 0.443375e+09 8.646771 19.909926 0.254427e+08 7.405564 17.051941 ./ancestor::cml:module[@dictRef='cc:finalization']/cml:molecule[@id='mol9999'] 3.1095 -2.4793 0.3643 3.9936 -206.8009 -220.4568 -166.7587 23.7531 22.1845 -2.7846 -8.7955 -22.4513 31.2468 23.7531 22.1845 -2.7846 315.8949 -140.7083 -55.2218 169.2461 -71.0832 -71.4477 17.0418 -23.0560 -39.3677 37.5544 -9752.3445 -5637.8602 -3085.0779 331.8762 91.8735 224.2180 135.4115 -40.4267 -23.9125 -2600.3540 -1903.7962 -1276.3225 -92.2382 82.9664 40.1841 (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A) (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(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 -6278.8028042 5.98E-9 3.142E-6 0.3565614 0.3827615 -6278.4200427 -6278.4190985 -6278.506531 6.2772822,-0.8193312,-5.457951,-17.9267786,25.4395726,3.9064433 C01 [X(C22H19Br2N1O3)] -1.3463987 -0.3790266 0.7156941 -0.2362127 0.369803 -0.0217244 0.2969103 -0.597871 0.1434419 0.0400386 0.0712599 -0.0807495 -0.4473045 0.1772475 0.433891 0.2641015 -0.1996625 -0.1613249 0.3592841 -0.0342787 -0.4035023 -1.2201872 0.7245348 0.1771887 0.7417009 -2.0813711 -0.0560168 0.1000342 0.0361809 -0.4750457 -1.642332 -0.8503798 0.2130235 -0.4187742 -1.5944868 0.0271605 0.1452965 0.1370629 -0.5032053 -2.4720335 -0.2522114 -0.8369945 -0.2237788 -0.8659154 -0.1750541 -1.0756584 -0.2534856 -0.7914632 -0.4282061 -0.0711808 0.0464062 -0.0129376 -0.4112565 0.016099 0.1069453 0.1282609 -0.5522204 0.6851816 0.1032246 -0.0232784 0.5704863 0.4772023 -0.254844 -0.0136741 -0.0619861 0.3786795 0.1008832 0.0209856 0.1567358 0.0028807 -0.0796844 0.3153529 0.5426286 0.257786 -0.3551549 -1.3428829 -0.3031445 0.1579997 -0.0962492 -0.0760431 -0.2070522 -0.398292 -0.1597062 0.0503244 -0.047694 0.0431634 -0.0340266 0.0155066 -0.0259452 0.0871934 -0.0088461 -0.0182978 0.0490695 -0.0080337 0.0505974 0.0436251 -0.0457759 0.029869 -0.0482948 0.0038636 -0.0295534 0.0235567 -0.0424449 0.2750561 -0.343708 0.0152408 -0.3858177 0.0929738 -0.1718713 -0.1012068 0.1223799 2.7482046 0.6146661 -0.3076157 -0.3512812 2.7889081 0.1041945 -0.2369817 -0.1901508 0.3201813 0.6131043 -0.7789106 -0.4421758 -0.7511223 0.9170088 -0.0237913 -0.4211065 -0.0783994 0.3987628 1.0426786 -0.4956515 -0.285384 -0.2746299 1.0154402 -0.0146673 -0.1934317 0.0088576 0.7064793 0.1812844 -0.0949305 0.3078801 0.0908563 0.07501 -0.0380159 0.2681953 -0.0255761 -0.0185267 0.0613879 0.2108499 -0.1010212 0.0068501 0.0756882 0.0176259 -0.0539006 -0.1208725 0.2793339 -0.3161878 0.0133277 -0.0958092 -0.4474049 -0.3122276 -0.2037062 -0.0567872 0.1094555 -0.2151875 -0.2013908 0.0145636 0.0204369 0.088503 -0.2034092 0.0966312 -0.0331956 0.0019548 -0.1816715 1.4648823 0.7271981 0.6070451 1.094123 0.6865285 0.4428338 0.7954039 0.2835591 0.4911885 0.0018287 0.0845811 0.0961703 -0.0338308 0.1384946 -0.1004274 0.1206079 0.00102 -0.0929702 -0.3663186 -0.2052168 -0.0225395 0.0560493 -0.0082497 0.0199155 -0.0579096 -0.1342793 -0.1782881 1.7575388 -0.353937 0.4989678 -0.7128763 0.1780547 -0.1739717 0.5011178 0.0061845 0.4923624 -0.3626487 0.0153791 -0.0890283 0.187356 -0.196063 0.1217265 0.1201406 -0.04716 -0.0915566 -0.2992336 -0.038032 -0.0482795 -0.0775073 -0.1149514 0.0151001 -0.2030167 0.094516 -0.1218165 0.0292346 -0.120011 0.0694431 -0.1224347 -0.0821221 0.050092 0.0705287 0.08543 0.0838248 0.0157505 -0.1125223 0.0113363 -0.1145417 -0.1257799 0.0736858 0.0558694 0.0339078 0.0826127 -0.0633729 -0.0849601 0.0250727 -0.085158 -0.1443017 -0.0108786 0.0003052 -0.0234541 -0.1552282 0.0620149 0.009391 0.0609566 0.0268903 0.0077568 0.0316408 0.0245292 0.0891935 0.0348191 -0.0059791 0.0197774 0.0238586 -0.0469594 -0.0198126 -0.0364983 0.0775845 -0.0496633 0.1242852 -0.0759833 -0.1130306 -0.0759853 -0.1002235 0.0478294 -0.1006405 -0.0650318 -0.0677103 0.0133766 0.0173949 0.1313493 0.0070284 0.1201032 -0.0193549 -0.007905 -0.0375339 0.0329097 0.0515518 0.0708373 -0.0487699 0.1265501 -0.0545018 -0.010599 0.0840739 0.0900033 0.0813973 -0.1642497 0.0502258 -0.0304419 0.0516264 0.0071935 0.0136747 0.1505498 0.0329493 0.1479906 -0.1139461 0.060325 0.0543965 -0.0053218 0.0769413 -0.0126602 -0.1101382 0.0411998 -0.1416573 -0.0601587 -0.1631156 -0.0617517 -0.1070125 -0.0812042 -0.0062804 -0.0088496 -0.0735121 -0.0101437 0.0835617 0.1070963 0.0407856 0.0632858 0.0877841 0.0765529 -0.0224795 0.0292574 0.0449627 0.1184825 0.0074131 0.0299635 0.062888 -0.0229206 0.0706453 -0.0050119 0.0194813 -0.0093712 0.0313971 0.1183908 0.0116858 -0.0855351 0.0448189 0.1409432 0.0457427 -0.0869766 0.03097 0.1335006 0.0571658 -0.0742381 -0.0877658 -0.0907424 0.0447217 -0.0375211 -0.0952927 -0.0376863 0.1419324 0.032034 0.0622303 -0.1169056 0.0517643 0.0755698 0.0613542 -0.125536 0.0552126 0.095821 0.1492125 -0.0279925 -0.0334374 -0.021385 -0.0459828 0.0395716 -0.0268525 0.0478613 0.1756888 0.1097864 0.0012553 -0.0694215 0.0073558 0.2083497 -0.0457152 -0.1070486 -0.0011637 -0.0292068 0.0825983 0.0891368 0.0634835 0.0896192 0.1401506 -0.0731642 0.0639464 -0.0804562 0.0539037 0.0666676 0.0985784 0.0469359 0.0915553 0.1080555 -0.0869313 0.0835204 -0.0694935 0.009695 0.0932949 0.0149434 -0.0847769 0.0308782 0.1660617 -0.0342196 -0.0940062 -0.0394055 -0.069684 -0.0448553 0.1086416 -0.0540888 0.1207706 0.1373326 0.0001599 -0.0562694 -0.0007756 0.1070608 463.5785139|-19.2299393|424.4409574|7.7099559|-20.4394572|438.5319748 -0.000001618 -0.000001211 -0.000000364 -0.000001406 -0.000001621 -0.000000996 0.000002103 0.000001260 -0.000006787 -0.000006328 -0.000005206 -0.000000054 0.000002473 0.000004272 0.000001732 -0.000000407 0.000001470 0.000004580 0.000006697 -0.000006062 -0.000003753 -0.000001431 0.000003367 -0.000001777 -0.000016584 0.000000914 0.000005318 -0.000001994 -0.000001919 0.000000092 -0.000003864 0.000000097 -0.000000245 -0.000000973 -0.000004777 0.000000061 0.000008864 0.000006766 0.000002535 -0.000002232 0.000000279 -0.000000929 -0.000006400 -0.000002242 0.000011972 0.000006121 0.000003653 0.000000454 -0.000000429 0.000004641 -0.000008728 0.000002773 0.000003966 0.000000338 -0.000000532 0.000001112 0.000001137 -0.000001386 -0.000005176 -0.000000444 0.000000526 0.000003920 0.000000621 0.000000308 0.000003060 0.000001701 0.000002381 -0.000003846 0.000001192 0.000000203 0.000000892 -0.000001604 0.000002370 0.000000329 0.000000700 0.000001600 -0.000001387 0.000001246 0.000002485 -0.000000510 0.000000109 0.000001073 -0.000002386 -0.000000495 0.000000579 -0.000000679 -0.000000624 0.000001879 0.000001149 -0.000001178 0.000000405 0.000000599 -0.000000801 -0.000000351 0.000000994 -0.000000602 -0.000000053 0.000000061 -0.000000839 -0.000002323 -0.000001885 -0.000001283 -0.000001759 -0.000001898 -0.000000769 -0.000001845 -0.000002322 -0.000000821 -0.000002540 -0.000000838 -0.000001527 -0.000001391 0.000003677 0.000000570 -0.000001218 -0.000001081 -0.000000648 0.000000217 0.000002378 0.000000943 0.000001350 0.000002728 0.000001745 0.000003261 0.000001601 0.000001257 0.000001935 -0.000001745 0.000000904 0.000002289 -0.000000540 -0.000000354 0.000001511 -0.000001498 -0.000001209 0.000002003 -0.000002254 -0.000000409 0.000001658 -0.000002102 -0.000001968 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:-1.0579,-.4847,2.3513;-3.2715,1.6964,3.1878;2.0668,1.1012,-.7609;2.6129,3.2774,-.9755;1.4337,-3.7864,-1.5619;4.0245,1.2084,-3.5498;-.7404,2.1503,-1.5874;-.6567,1.5933,-.1841;.3272,2.6876,-.6234;-.349,1.2324,-2.7293;-1.8384,3.1273,-1.9611;-1.6477,1.9091,.856;1.7669,2.4198,-.7996;-1.9322,1.1647,1.9243;3.4218,.6834,-1.0477;3.4674,-.8092,-.7924;3.7514,.9964,-2.4487;2.4668,-1.6034,-1.3519;4.4567,-1.3712,.0105;2.4302,-2.9604,-1.06;4.4326,-2.7472,.2531;3.4184,-3.546,-.2683;.1978,-3.1983,-1.8581;-.5189,-2.5293,-.8675;-.3018,-3.3314,-3.1472;-1.7537,-1.9704,-1.1842;-1.5476,-2.7779,-3.4505;-2.2718,-2.0932,-2.4752;-.217,.6065,-.1259;.1445,3.6915,-.2614;-1.2359,.7038,-3.0888;.3878,.488,-2.435;.0597,1.8161,-3.5595;-1.5416,3.6891,-2.8512;-2.0563,3.846,-1.17;-2.7576,2.5819,-2.1961;-2.2012,2.836,.7508;4.1239,1.218,-.4054;1.7099,-1.1604,-1.9832;5.2273,-.7464,.446;5.1977,-3.1969,.8749;3.3753,-4.6082,-.0599;-.0979,-2.4371,.1257;.2827,-3.8522,-3.896;-2.3104,-1.4369,-.4224;-1.9434,-2.8747,-4.455;-3.2319,-1.6536,-2.7187; Gaussian 16 21-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=Water) 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:-1.0579,-.4847,2.3513;-3.2715,1.6964,3.1878;2.0668,1.1012,-.7609;2.6129,3.2774,-.9755;1.4337,-3.7864,-1.5619;4.0245,1.2084,-3.5498;-.7404,2.1503,-1.5874;-.6567,1.5933,-.184;.3272,2.6876,-.6234;-.349,1.2324,-2.7293;-1.8384,3.1273,-1.9611;-1.6477,1.9091,.856;1.7669,2.4198,-.7996;-1.9322,1.1647,1.9243;3.4218,.6834,-1.0477;3.4674,-.8092,-.7924;3.7514,.9964,-2.4487;2.4668,-1.6034,-1.3519;4.4567,-1.3712,.0105;2.4302,-2.9604,-1.06;4.4326,-2.7472,.2531;3.4184,-3.546,-.2683;.1978,-3.1983,-1.8581;-.5189,-2.5293,-.8675;-.3018,-3.3314,-3.1472;-1.7537,-1.9704,-1.1842;-1.5476,-2.7779,-3.4505;-2.2718,-2.0932,-2.4752;-.217,.6065,-.1259;.1445,3.6915,-.2614;-1.2359,.7038,-3.0888;.3878,.488,-2.435;.0597,1.8161,-3.5595;-1.5416,3.6891,-2.8512;-2.0563,3.846,-1.17;-2.7576,2.5819,-2.1961;-2.2012,2.836,.7508;4.1239,1.218,-.4054;1.7099,-1.1604,-1.9832;5.2273,-.7464,.446;5.1977,-3.1969,.8749;3.3753,-4.6082,-.0599;-.0979,-2.4371,.1257;.2827,-3.8522,-3.896;-2.3104,-1.4369,-.4224;-1.9434,-2.8747,-4.455;-3.2319,-1.6536,-2.7187; oldchk=/home/valentin/Almacen/Insecticides/G3/Deltamethrin-trans/gaussian/water #P B3LYP 6-311+G(d,p) EmpiricalDispersion=gd3 scrf=(smd,Solvent=Water) 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=1,74=-5,116=-2,124=31/1,2,3 4/5=1/1 5/5=2,38=6,53=1/2 6/7=2,8=2,9=2,10=2,28=1/1 99/5=1,6=200,9=1/99 Wavefunction Deltamethrin-trans CONF41 water 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 3688.4211267568 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 -0.0620417751 PCM SMD-Coulomb. Total charges None On-the-fly selection Water 78.355300 1.777849 0.000000 3.218215 0.000000 4.686563 6.666617 0.000000 6.220538 7.379628 2.253961 0.000000 5.693995 8.646315 4.993062 7.185534 0.000000 7.969900 9.943079 3.409104 3.591697 5.967631 0.000000 4.749366 5.423547 3.108676 3.590201 6.322293 5.238553 0.000000 3.302532 4.268185 2.827035 3.762019 5.933725 5.778379 1.512124 0.000000 4.563996 5.334640 2.358317 2.386691 6.634558 4.941824 1.535502 1.535735 0.000000 5.409473 6.615772 3.118895 4.003867 5.452376 4.449848 1.516505 2.589041 2.647598 0.000000 5.679024 5.532841 4.560213 4.561567 7.659258 6.370179 1.516469 2.628155 2.583120 2.529653 0.000000 2.883365 2.849404 4.130963 4.835279 6.912297 7.216397 2.617549 1.470948 2.587495 3.872867 3.075097 0.000000 5.132549 6.465922 1.352842 1.217440 6.261709 3.758689 2.641949 2.633581 1.474954 3.100135 3.853270 3.829064 0.000000 1.915011 1.916503 4.817244 5.790498 6.927882 8.090062 3.837074 2.501112 3.730203 4.915935 4.353853 1.332711 4.762122 0.000000 5.743217 7.985334 1.446647 2.718162 4.918924 2.626633 4.445953 4.267023 3.711202 4.165015 5.871592 5.552160 2.411469 6.142402 0.000000 5.519604 8.217834 2.369032 4.179009 3.686718 3.461847 5.205402 4.811468 4.702858 4.741755 6.709162 6.022562 3.649407 6.358636 1.514963 0.000000 6.954303 9.032260 2.386980 2.944457 5.388247 1.154089 4.716983 4.991626 4.232878 4.116761 6.002029 6.395727 2.946879 7.173182 1.472867 2.466587 0.000000 5.233372 8.026550 2.797113 4.897457 2.424279 3.894018 4.942846 4.619401 4.849839 4.226972 6.425323 5.843114 4.120779 6.143839 2.496728 1.394590 3.100287 0.000000 6.056002 8.901106 3.524086 5.097163 4.176583 4.417766 6.477906 5.913734 5.824748 6.113814 7.984386 6.981331 4.718315 7.135178 2.532223 1.392491 3.485713 2.422657 0.000000 5.471095 8.499373 4.088779 6.241086 1.388219 5.110775 6.037396 5.570694 6.042613 5.299954 7.489492 6.634240 5.427207 6.704720 3.776334 2.403161 4.396604 1.388562 2.788924 0.000000 6.298157 9.365421 4.629830 6.412208 3.656241 5.502315 7.357501 6.703134 6.867259 6.898924 8.873397 7.682148 5.908618 7.655498 3.805633 2.404266 4.666678 2.783654 1.397401 2.404092 0.000000 6.022536 9.175079 4.864740 6.907078 2.381238 5.808606 7.175177 6.559407 6.966991 6.563690 8.662071 7.529148 6.212913 7.458361 4.300598 2.786944 5.049541 2.419375 2.425975 1.395086 1.392370 0.000000 5.163257 7.839353 4.814840 6.967585 1.400325 6.076611 5.437036 5.147082 6.015429 4.548509 6.646044 6.071106 5.928417 6.154615 5.110617 4.187367 5.529248 2.819342 4.996774 2.382669 4.753389 3.608403 0.000000 3.851131 6.471373 4.458386 6.598305 2.423813 6.465882 4.739808 4.181138 5.290676 4.200603 5.910468 4.893270 5.451878 4.841177 5.087472 4.342213 5.758985 3.163291 5.183417 2.986637 5.081414 4.110340 1.393753 0.000000 6.237684 8.615730 5.563487 7.542464 2.394140 6.284041 5.716199 5.758423 6.556982 4.583134 6.744115 6.730580 6.547337 6.970899 5.864399 5.110127 5.970432 3.724846 6.037864 3.457957 5.858166 4.708884 1.388908 2.426454 0.000000 3.897555 5.904555 4.920305 6.830089 3.687737 7.006287 4.262551 3.860536 5.132388 3.823344 5.157222 4.384547 5.640591 4.418531 5.817738 5.362965 6.380164 4.239729 6.352490 4.301183 6.398401 5.483754 2.402104 1.391884 2.795311 0.000000 6.257725 8.188912 5.945161 7.752590 3.670443 6.851955 5.330092 5.529100 6.432662 4.247226 6.097035 6.365850 6.710417 6.676838 6.515254 6.007654 6.582439 4.679704 7.071668 4.644438 7.034311 5.947930 2.399815 2.791448 1.396649 2.414668 0.000000 5.230305 6.887006 5.653904 7.413098 4.175112 7.190238 4.597958 4.631301 5.748111 3.849867 5.263655 5.244567 6.283862 5.484998 6.493403 6.117147 6.769482 4.894561 7.209187 4.986358 7.267833 6.273727 2.775087 2.418224 2.421946 1.396545 1.394402 0.000000 2.834410 4.636647 2.421515 3.983019 4.907523 5.484147 2.189340 1.081928 2.207897 2.680794 3.514408 2.169801 2.770942 2.730680 3.754521 4.002919 4.614761 3.686379 5.076709 4.539049 5.745419 5.520818 4.201062 3.236338 4.964104 3.181407 4.927187 4.126722 0.000000 5.070699 5.248481 3.264112 2.602770 7.698843 5.659819 2.217360 2.247291 1.082723 3.518744 2.671923 2.763648 2.130512 3.933735 4.517456 5.619607 5.005800 5.883712 6.655779 7.078868 7.753013 7.943536 7.072649 6.285364 7.605856 6.042509 7.408580 6.648558 3.109127 0.000000 5.571183 6.672676 4.060115 5.089497 5.442416 5.304625 2.142921 3.092602 3.529444 1.093270 2.740053 4.145333 4.147541 5.082101 5.085278 5.448276 5.036738 4.695754 6.805596 5.566207 7.430339 6.904952 4.335531 3.987630 4.142377 3.323681 3.514283 3.045174 3.134673 4.338917 0.000000 5.093566 6.816643 2.448996 3.855143 4.486322 3.871363 2.180448 2.716494 2.850210 1.087834 3.485089 4.122336 2.882433 4.984311 3.341817 3.723600 3.401868 3.141603 5.098326 4.237215 5.835551 5.491152 3.736091 3.519019 3.946032 3.492021 3.929799 3.706502 2.389933 3.878930 1.763601 0.000000 6.440476 7.525804 3.517317 3.915524 6.104641 4.011093 2.154340 3.457824 3.074381 1.094135 2.806565 4.735072 3.300933 5.870571 4.346877 5.114843 3.941393 4.728723 6.498984 5.889146 7.381214 7.131977 5.297066 5.144369 5.176712 4.823722 4.868322 4.679221 3.650958 3.794979 1.771306 1.770854 0.000000 6.687301 6.590429 4.907837 4.576877 8.148439 6.133736 2.146421 3.505591 3.075512 2.733614 1.093676 4.113800 4.094700 5.415739 6.076298 7.040116 5.952193 6.806271 8.353110 7.949790 9.314157 9.144344 7.172740 6.606756 7.135292 5.903696 6.494665 5.840366 4.322548 3.090368 3.010262 3.760612 2.563913 0.000000 5.670222 5.008849 4.970085 4.707782 8.401643 7.042498 2.186646 2.829490 2.705963 3.489650 1.090805 2.832592 4.097408 4.096273 6.326678 7.233651 6.594379 7.084361 8.428063 8.152854 9.359628 9.242730 7.428174 6.565067 7.648787 5.824325 7.023934 6.084821 3.868877 2.386078 3.772042 4.341657 3.782557 1.765239 0.000000 5.742064 5.480400 5.246608 5.551223 7.650117 7.050946 2.150803 3.072381 3.464203 2.811953 1.094362 3.316595 4.737914 4.434740 6.565633 7.226395 6.704119 6.747147 8.517126 7.676029 9.278867 8.911265 6.500771 5.735987 6.473304 4.770268 5.636056 4.708622 3.826567 3.660139 2.576777 3.786130 3.222208 1.770233 1.772713 0.000000 3.859477 2.895394 4.848765 5.133272 7.900454 7.739731 2.841000 2.191772 2.881541 4.256006 2.751514 1.084694 4.280514 2.059741 6.283796 6.913914 7.003922 6.776430 7.910477 7.637266 8.684896 8.564385 6.998231 5.851136 7.539247 5.200624 7.042339 5.891547 3.110721 2.694194 4.496754 4.729205 4.973011 3.760013 2.175046 3.009736 0.000000 6.111317 8.235953 2.090859 2.617122 5.798132 3.146016 5.091897 4.800353 4.076986 5.040551 6.450883 5.948125 2.674882 6.488886 1.091508 2.165675 2.088808 3.406114 2.643377 4.555880 4.031276 4.817852 6.085081 5.984189 6.913826 6.731828 7.576654 7.493555 4.392652 4.687677 6.016001 4.314012 5.179163 6.647252 6.759177 7.240279 6.630313 0.000000 5.186971 7.727548 2.595414 4.639545 2.673866 3.663751 4.137806 4.052239 4.309069 3.243597 5.565513 5.362545 3.771239 5.825744 2.684253 2.151800 3.006032 1.080615 3.400562 2.147343 3.864233 3.398646 2.540709 2.843598 3.180402 3.645630 3.921815 4.119019 3.206930 5.381109 3.657233 2.160919 3.750694 5.902805 6.317467 5.831717 6.224396 3.738129 0.000000 6.572816 9.258204 3.854801 5.004729 5.259722 4.608140 6.938258 6.363396 6.078420 6.715155 8.409740 7.381496 4.852941 7.556202 2.745154 2.152886 3.687165 3.403977 1.083488 3.872174 2.161373 3.408782 6.051176 6.158123 7.082660 7.272523 8.075247 8.159942 5.639001 6.784596 7.508086 5.765900 7.022481 8.738640 8.760956 9.045315 8.252855 2.408614 4.294743 0.000000 6.976209 10.050875 5.563438 7.212590 4.522551 6.353057 8.361574 7.638116 7.784163 7.960770 9.876422 8.539976 6.791255 8.423756 4.680499 3.387455 5.542696 3.867242 2.151633 3.385120 1.083598 2.143537 5.698099 6.013382 6.814658 7.352917 8.023988 8.260458 6.692239 8.618320 8.503966 6.904324 8.437610 10.330455 10.315300 10.301077 9.547487 4.720491 4.947812 2.487843 0.000000 6.516874 9.719795 5.899180 7.975093 2.588651 6.814245 8.059083 7.398004 7.926935 7.423437 9.520170 8.279159 7.247512 8.089027 5.383190 3.870052 6.103997 3.394613 3.413557 2.146756 2.163194 1.083309 3.913756 4.487576 4.968099 5.876034 6.251497 6.636895 6.332558 8.908600 7.658607 6.366936 8.031940 10.040487 10.109827 9.688805 9.336506 5.884193 4.284818 4.312647 2.487350 0.000000 3.112349 6.044329 4.241614 6.420032 2.648417 6.617642 4.938751 4.080718 5.196548 4.656008 6.192382 4.671694 5.284234 4.424088 4.847935 4.025486 5.764846 3.075096 4.679064 2.840986 4.542967 3.708041 2.145268 1.082591 3.398959 2.162156 3.873847 3.407138 3.056239 6.145593 4.636029 3.917826 5.629850 6.962461 6.707597 6.136347 5.711423 5.609367 3.057026 5.596351 5.402064 4.100145 0.000000 7.222627 9.674740 6.127670 8.049331 2.603359 6.303298 6.512075 6.656978 7.313118 5.254846 7.546958 7.713736 7.150499 7.996969 6.207944 5.388431 6.134806 4.037412 6.232044 3.667439 5.971514 4.804889 2.141979 3.400722 1.083321 3.878412 2.168593 3.411493 5.860336 8.374851 4.869839 4.580800 5.682740 7.828851 8.495035 7.316531 8.514465 7.255799 3.597468 7.276600 6.881067 4.985141 4.280371 0.000000 3.188886 4.875982 5.071157 6.838899 4.564709 7.543869 4.085386 3.460378 4.899936 4.036586 4.839658 3.642741 5.625087 3.524007 6.143690 5.823619 6.839079 4.869696 6.781243 5.020084 6.902338 6.106685 3.384514 2.144999 3.879221 1.083933 3.398434 2.155518 2.940364 5.688038 3.584258 3.877693 5.103090 5.724188 5.341660 4.415550 4.432471 6.960541 4.321530 7.618972 7.820005 6.520390 2.489151 4.962265 0.000000 7.267802 9.003947 6.747935 8.409213 4.539326 7.287422 5.909374 6.313426 7.125694 4.731574 6.500314 7.153925 7.426957 7.550598 7.283785 6.852519 7.172206 5.540319 7.947366 5.537227 7.926901 6.835730 3.381286 3.875377 2.147965 3.398774 1.083935 2.153587 5.817153 8.066005 3.895196 4.563149 5.178613 6.768772 7.481420 5.961555 7.731705 8.364230 4.732286 8.942464 8.916626 7.114035 4.957740 2.494643 4.296903 0.000000 5.638911 6.790535 6.284719 7.843202 5.258737 7.844569 4.685858 4.857865 5.991979 4.079230 5.037150 5.289728 6.727853 5.584753 7.247396 7.021704 7.474085 5.860558 8.163442 6.043025 8.292930 7.335662 3.858698 3.399159 3.403577 2.154123 2.153186 1.083641 4.573830 6.783003 3.111008 4.215352 4.856018 5.605276 5.833228 4.293942 5.766904 8.228291 5.020500 9.077260 9.292667 7.710592 4.304170 4.309552 2.483742 2.483128 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:2.0415,-1.2548,-1.4112;5.0015,-.2515,-.6442;-1.3102,1.8892,-.4919;-.9456,4.1126,-.4296;-3.2685,-2.6679,.0819;-4.2309,3.1901,.691;.7095,1.9088,1.8712;1.195,1.2041,.6245;.6781,2.6468,.525;-.5765,1.4099,2.5013;1.7012,2.4402,2.8879;2.6189,.9431,.3634;-.5785,2.9809,-.1713;3.1129,-.0176,-.417;-2.6266,2.0727,-1.0631;-3.124,.6903,-1.4327;-3.5115,2.7126,-.0748;-3.023,-.3222,-.4789;-3.6321,.4246,-2.7017;-3.3854,-1.6186,-.8195;-4.0384,-.8762,-3.0109;-3.9084,-1.9043,-2.0809;-2.291,-2.5555,1.0783;-.9516,-2.3823,.734;-2.6896,-2.6559,2.405;.0021,-2.2927,1.7439;-1.7226,-2.5776,3.4097;-.3798,-2.3906,3.0836;.5063,.4643,.2386;1.4174,3.4312,.4228;-.3409,.6497,3.2509;-1.254,.9654,1.7755;-1.0953,2.2329,3.002;1.2222,3.2104,3.4991;2.5868,2.8815,2.4287;2.0222,1.6321,3.5523;3.3406,1.5927,.847;-2.5692,2.7215,-1.939;-2.6384,-.1043,.5071;-3.702,1.2155,-3.4389;-4.4369,-1.0955,-3.9944;-4.1924,-2.9213,-2.3229;-.675,-2.3006,-.3095;-3.7393,-2.7843,2.6397;1.0439,-2.1445,1.484;-2.0257,-2.652,4.4477;.3652,-2.3168,3.867; 0.1642523 0.0884370 0.0801056 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= 1.15D-06 NBF= 782 NBsUse= 780 1.00D-06 EigRej= 7.88D-07 NBFU= 780 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= 798 798 798 798 798 MxSgAt= 47 MxSgA2= 47. 1 Closed 1 1 1 -6278.80280422164 -6278.80280422169 -0.000000000055 -6278.80280422 2 6.267796168975e+03 -2.231158292294e+04 6.076610278161e+03 Using DIIS extrapolation, IDIIS= 1040. NGot= 2831155200 LenX= 2829808344 LenY= 2829144934 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. PT1544.200S 2023-05-21T05:59:51.000 -482.84826 -482.84580 -62.50101 -62.49850 -56.32148 -56.31903 -56.31744 -56.31731 -56.31490 -56.31482 -19.19318 -19.17331 -19.13365 -14.33609 -10.32673 -10.29205 -10.27793 -10.24954 -10.24214 -10.23592 -10.21022 -10.20708 -10.20488 -10.20149 -10.20116 -10.18651 -10.18534 -10.18410 -10.18403 -10.18209 -10.18154 -10.18141 -10.18035 -10.17670 -10.16070 -10.15788 -8.71069 -8.70811 -6.54242 -6.53999 -6.52901 -6.52871 -6.52627 -6.52614 -2.65328 -2.65081 -2.64946 -2.64926 -2.64687 -2.64679 -2.63860 -2.63860 -2.63589 -2.63589 -1.13439 -1.08743 -1.04549 -0.93552 -0.90146 -0.88129 -0.86647 -0.86350 -0.81735 -0.79015 -0.77121 -0.76540 -0.75838 -0.75368 -0.73983 -0.72712 -0.69362 -0.67300 -0.64697 -0.62698 -0.62151 -0.61452 -0.59511 -0.57955 -0.55986 -0.55186 -0.54601 -0.52016 -0.50792 -0.50388 -0.49549 -0.48479 -0.48176 -0.47923 -0.47483 -0.46005 -0.45464 -0.44881 -0.44296 -0.43322 -0.43116 -0.42327 -0.41956 -0.41490 -0.40751 -0.40254 -0.39803 -0.39337 -0.38612 -0.38293 -0.38215 -0.37767 -0.37475 -0.37204 -0.36727 -0.36441 -0.35804 -0.35047 -0.34608 -0.33867 -0.33671 -0.33100 -0.32131 -0.30843 -0.30799 -0.29607 -0.28785 -0.27294 -0.26587 -0.26343 -0.24560 -0.23798 -0.05250 -0.04539 -0.03771 -0.02700 -0.02170 -0.01478 -0.01308 -0.00742 -0.00061 0.00120 0.00625 0.01253 0.01526 0.01936 0.02551 0.02972 0.03324 0.03348 0.03599 0.04218 0.04462 0.05054 0.05112 0.05287 0.05480 0.05823 0.06285 0.06712 0.06949 0.07225 0.07538 0.07742 0.08160 0.08495 0.08775 0.09008 0.09195 0.09444 0.09795 0.09977 0.10140 0.10528 0.10737 0.10920 0.11122 0.11383 0.11713 0.11984 0.12215 0.12440 0.13045 0.13103 0.13313 0.13665 0.13932 0.14091 0.14352 0.14581 0.14929 0.15230 0.15547 0.15822 0.16093 0.16202 0.16423 0.16635 0.16848 0.16990 0.17734 0.17833 0.17979 0.18150 0.18405 0.18640 0.18741 0.18870 0.19381 0.19825 0.19905 0.20307 0.20395 0.20489 0.20884 0.21116 0.21322 0.21462 0.21562 0.22141 0.22199 0.22311 0.22480 0.22658 0.22761 0.23193 0.23267 0.23455 0.23552 0.23823 0.24245 0.24374 0.24402 0.24807 0.24871 0.25178 0.25247 0.25689 0.25950 0.26233 0.26460 0.26703 0.26838 0.26947 0.27071 0.27210 0.27440 0.28000 0.28214 0.28446 0.28766 0.29252 0.29499 0.29551 0.30035 0.30311 0.30619 0.30948 0.31187 0.31457 0.31809 0.32070 0.32485 0.32662 0.33016 0.33449 0.33806 0.33930 0.34085 0.34384 0.34694 0.34909 0.35588 0.35745 0.35876 0.36429 0.36626 0.36955 0.37428 0.37716 0.38353 0.38709 0.38979 0.39488 0.40026 0.40604 0.40687 0.41653 0.41837 0.42504 0.43286 0.43413 0.43666 0.44404 0.45118 0.45503 0.46004 0.46380 0.46951 0.47593 0.48722 0.49349 0.49845 0.50141 0.50713 0.51873 0.52638 0.53397 0.53639 0.54022 0.54308 0.55363 0.55775 0.56191 0.56823 0.56910 0.57156 0.57447 0.57780 0.58129 0.58894 0.59338 0.59638 0.60143 0.60733 0.61673 0.62059 0.62259 0.62675 0.63175 0.63337 0.63562 0.63865 0.64524 0.64932 0.65247 0.65619 0.66168 0.66331 0.66911 0.67060 0.67526 0.67752 0.67951 0.68164 0.68623 0.68997 0.69394 0.69730 0.70149 0.70361 0.70589 0.70883 0.71180 0.71345 0.71502 0.71946 0.73155 0.73389 0.73615 0.74362 0.74497 0.74767 0.75199 0.75352 0.75650 0.76352 0.76799 0.76939 0.77779 0.78289 0.78337 0.78721 0.78947 0.79502 0.79873 0.80727 0.81273 0.82006 0.82685 0.82895 0.83051 0.83710 0.84117 0.84397 0.85118 0.85566 0.86115 0.86435 0.87233 0.87589 0.88040 0.89092 0.89836 0.90865 0.91091 0.91592 0.92261 0.92766 0.93224 0.93574 0.93845 0.94839 0.95361 0.95479 0.96229 0.96934 0.97345 0.98391 0.98683 1.00086 1.00251 1.00454 1.01225 1.01538 1.03092 1.03996 1.04392 1.05769 1.05994 1.06525 1.06930 1.07490 1.07930 1.08191 1.09072 1.10325 1.10914 1.12167 1.12926 1.14199 1.14488 1.15052 1.15979 1.16773 1.17107 1.17771 1.18758 1.19454 1.20141 1.20616 1.21906 1.22394 1.25046 1.26182 1.28785 1.29303 1.30734 1.31780 1.32677 1.32901 1.33346 1.35384 1.37181 1.38248 1.39698 1.39736 1.40179 1.41902 1.42367 1.43598 1.44851 1.45543 1.47392 1.47486 1.48356 1.49318 1.50956 1.51649 1.52314 1.53032 1.53365 1.53592 1.54612 1.55060 1.55372 1.55881 1.56515 1.56660 1.57196 1.57684 1.58769 1.59089 1.60443 1.61065 1.61735 1.62091 1.62440 1.62754 1.63714 1.64492 1.65073 1.66350 1.66375 1.67820 1.68357 1.68519 1.68861 1.69452 1.69864 1.70933 1.71911 1.72812 1.73292 1.73855 1.74862 1.75588 1.75718 1.76731 1.77390 1.78160 1.78822 1.79715 1.79859 1.81115 1.81928 1.82346 1.83796 1.84042 1.84438 1.85355 1.86083 1.87537 1.88249 1.89010 1.90189 1.91068 1.91321 1.92534 1.92916 1.93127 1.93873 1.94355 1.95759 1.96168 1.96963 1.97839 1.98443 1.99476 1.99900 2.00323 2.00769 2.01496 2.02141 2.02476 2.02739 2.03575 2.04358 2.04703 2.05305 2.05525 2.06241 2.07604 2.08311 2.09051 2.09115 2.09745 2.10266 2.10436 2.11305 2.12812 2.13326 2.14804 2.15893 2.17950 2.18566 2.19468 2.21207 2.21771 2.23217 2.23672 2.25189 2.25523 2.26524 2.27269 2.28571 2.31997 2.33654 2.33961 2.34831 2.35870 2.39145 2.40382 2.41019 2.42191 2.42609 2.43587 2.46615 2.47251 2.48329 2.48935 2.49080 2.50718 2.51572 2.53305 2.54433 2.55302 2.57870 2.58190 2.58476 2.60744 2.62422 2.64019 2.65147 2.65737 2.66331 2.67283 2.68721 2.69379 2.69857 2.71452 2.71998 2.72740 2.73279 2.74237 2.75037 2.75370 2.75887 2.76896 2.77180 2.77436 2.78258 2.78549 2.78808 2.80013 2.80512 2.80781 2.81446 2.82170 2.83345 2.83352 2.83890 2.84958 2.86106 2.86481 2.87541 2.88726 2.89522 2.89717 2.90336 2.90719 2.92882 2.93720 2.94092 2.95085 2.96298 2.96935 2.97358 2.98664 2.99511 3.00901 3.01742 3.02706 3.04908 3.05524 3.07139 3.08267 3.09718 3.10671 3.10931 3.12059 3.14285 3.15255 3.16155 3.17072 3.17278 3.18711 3.20159 3.22299 3.24215 3.25112 3.25941 3.27256 3.29042 3.33117 3.34361 3.36099 3.38003 3.38173 3.39811 3.41733 3.43549 3.45061 3.52580 3.54764 3.55544 3.58079 3.59243 3.62906 3.65419 3.66345 3.67584 3.70762 3.71574 3.73244 3.76629 3.81355 3.83743 3.85664 3.86606 3.89602 3.94982 3.99586 4.00753 4.01777 4.02330 4.03715 4.09095 4.12496 4.13918 4.14398 4.15252 4.15727 4.17007 4.17223 4.18130 4.18263 4.19432 4.20967 4.22155 4.23958 4.24892 4.26283 4.31844 4.36214 4.39956 4.52970 4.54254 4.56440 4.58063 4.65455 4.84066 4.85175 5.09846 5.13231 5.15562 5.23501 5.42990 5.44241 5.64970 5.86298 5.87646 6.71506 6.78486 7.56339 7.58848 7.60587 7.65645 7.71586 7.75907 23.54279 23.59862 23.63023 23.78087 23.80809 23.86096 23.88819 23.94499 23.95533 23.96779 23.98112 23.99323 24.01446 24.02651 24.07068 24.07864 24.09328 24.09961 24.18065 24.19216 24.19583 24.34414 35.86906 47.97390 48.03619 49.93495 49.98373 50.00977 289.76003 289.78435 289.80005 289.86149 289.93307 289.972431020 .776811020 .85492 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 -0.062855 -0.012933 0.140587 -0.327786 -0.023760 -0.349100 0.008995 0.880604 -0.488621 -0.519499 -0.414945 -0.712943 -0.058430 -0.053101 0.329174 0.701716 -0.416353 0.947225 -0.481395 -0.833816 -0.218025 -0.615415 -0.615186 0.122455 -0.230029 0.376898 -0.053621 -0.440895 0.190936 0.209022 0.177580 0.140757 0.172598 0.174830 0.158571 0.171386 0.190897 0.254695 0.227125 0.163147 0.175433 0.171327 0.163367 0.169590 0.174262 0.170394 0.165135 -0.00000 3.1095 -2.4793 0.3643 3.9936 -206.8010 -220.4568 -166.7587 23.7531 22.1845 -2.7847 -8.7955 -22.4513 31.2468 23.7531 22.1845 -2.7847 315.8950 -140.7083 -55.2219 169.2462 -71.0832 -71.4478 17.0418 -23.0560 -39.3677 37.5545 -9752.3448 -5637.8602 -3085.0779 331.8765 91.8735 224.2182 135.4114 -40.4268 -23.9125 -2600.3542 -1903.7962 -1276.3225 -92.2383 82.9665 40.1841 (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A) (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(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-CIBELES02 VALENTIN 2023-05-21T00:00:00.000 0 Wavefunction Deltamethrin-trans CONF41 water 0 1 Version=EM64L-G16RevC.01 State=1-A HF=-6278.8028042 RMSD=6.363e-09 Dipole=-1.346398,-0.3790266,0.7156957 Quadrupole=6.2772847,-0.8193245,-5.4579602,-17.9267803,25.4395787,3.9064459 PG=C01 [X(C22H19Br2N1O3)] 0 -1.0578678564 -0.4846574823 2.3512532354 0 -3.2714744268 1.6963949037 3.1878326305 0 2.066771978 1.1011829502 -0.760917721 0 2.6129172206 3.2774242181 -0.9754825942 0 1.4336597359 -3.7863857926 -1.5618604256 0 4.0244966378 1.2084437164 -3.5497880687 0 -0.7403993868 2.150297608 -1.5873632305 0 -0.6566728003 1.5933207479 -0.1840503892 0 0.3272190937 2.6875928722 -0.6233769858 0 -0.3489834211 1.2323530133 -2.7292734395 0 -1.8383717546 3.1272734481 -1.9610640141 0 -1.6477439859 1.9091089073 0.8560191932 0 1.7669194323 2.4198092664 -0.7995733614 0 -1.9321848069 1.1647395324 1.9242542561 0 3.4217535163 0.6833994225 -1.0477423944 0 3.4674102837 -0.8091925108 -0.7924014102 0 3.7514209133 0.9963634152 -2.448709858 0 2.4668296123 -1.6033612301 -1.3518788324 0 4.4566513884 -1.371191027 0.0104626621 0 2.4302004561 -2.9604135026 -1.0600351376 0 4.4326465772 -2.7471523362 0.2531244762 0 3.4184138328 -3.5459781624 -0.2683192158 0 0.1977963793 -3.198334459 -1.858080214 0 -0.5188747376 -2.5292826122 -0.8674741601 0 -0.3017602711 -3.3314435793 -3.1471844437 0 -1.7536523792 -1.9703963633 -1.1841958645 0 -1.5476328466 -2.7778835264 -3.450502147 0 -2.2718246348 -2.0932467033 -2.4752198211 0 -0.2170287352 0.6064560397 -0.1259103895 0 0.1445191398 3.6915169648 -0.2613738465 0 -1.235907911 0.7038067388 -3.0887777041 0 0.387771537 0.4880498721 -2.4350171682 0 0.0597177317 1.8161451101 -3.5595033145 0 -1.5415814933 3.6890734936 -2.851245184 0 -2.0563480191 3.8460399935 -1.1700412569 0 -2.7576032953 2.5819237692 -2.1960842987 0 -2.2011762809 2.8360449201 0.7508336099 0 4.123863548 1.2179761609 -0.4053562199 0 1.7098916206 -1.1604150036 -1.9832045465 0 5.2273136138 -0.7464468932 0.4460328618 0 5.1976873293 -3.1968586797 0.8749448536 0 3.3752698367 -4.6081701655 -0.059882803 0 -0.0979334279 -2.4370827312 0.1256574015 0 0.2826821904 -3.8522380202 -3.8960393534 0 -2.3104424979 -1.436934242 -0.4224120947 0 -1.9433535939 -2.8746850075 -4.4549668607 0 -3.2318896596 -1.6536230393 -2.718704176 Gaussian 16 21-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=Water) 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:-1.0579,-.4847,2.3513;-3.2715,1.6964,3.1878;2.0668,1.1012,-.7609;2.6129,3.2774,-.9755;1.4337,-3.7864,-1.5619;4.0245,1.2084,-3.5498;-.7404,2.1503,-1.5874;-.6567,1.5933,-.184;.3272,2.6876,-.6234;-.349,1.2324,-2.7293;-1.8384,3.1273,-1.9611;-1.6477,1.9091,.856;1.7669,2.4198,-.7996;-1.9322,1.1647,1.9243;3.4218,.6834,-1.0477;3.4674,-.8092,-.7924;3.7514,.9964,-2.4487;2.4668,-1.6034,-1.3519;4.4567,-1.3712,.0105;2.4302,-2.9604,-1.06;4.4326,-2.7472,.2531;3.4184,-3.546,-.2683;.1978,-3.1983,-1.8581;-.5189,-2.5293,-.8675;-.3018,-3.3314,-3.1472;-1.7537,-1.9704,-1.1842;-1.5476,-2.7779,-3.4505;-2.2718,-2.0932,-2.4752;-.217,.6065,-.1259;.1445,3.6915,-.2614;-1.2359,.7038,-3.0888;.3878,.488,-2.435;.0597,1.8161,-3.5595;-1.5416,3.6891,-2.8512;-2.0563,3.846,-1.17;-2.7576,2.5819,-2.1961;-2.2012,2.836,.7508;4.1239,1.218,-.4054;1.7099,-1.1604,-1.9832;5.2273,-.7464,.446;5.1977,-3.1969,.8749;3.3753,-4.6082,-.0599;-.0979,-2.4371,.1257;.2827,-3.8522,-3.896;-2.3104,-1.4369,-.4224;-1.9434,-2.8747,-4.455;-3.2319,-1.6536,-2.7187; oldchk=/home/valentin/Almacen/Insecticides/G3/Deltamethrin-trans/gaussian/water #P B3LYP 6-311+G(d,p) EmpiricalDispersion=gd3 scrf=(smd,Solvent=Water) 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=1,74=-5,116=-2,124=31/1,2,3,8 4/5=1/1 5/5=2,38=6,53=1/2 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 CONF41 water 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 3688.4211267568 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 -0.0620417751 PCM SMD-Coulomb. Total charges None On-the-fly selection Water 78.355300 1.777849 0.000000 3.218215 0.000000 4.686563 6.666617 0.000000 6.220538 7.379628 2.253961 0.000000 5.693995 8.646315 4.993062 7.185534 0.000000 7.969900 9.943079 3.409104 3.591697 5.967631 0.000000 4.749366 5.423547 3.108676 3.590201 6.322293 5.238553 0.000000 3.302532 4.268185 2.827035 3.762019 5.933725 5.778379 1.512124 0.000000 4.563996 5.334640 2.358317 2.386691 6.634558 4.941824 1.535502 1.535735 0.000000 5.409473 6.615772 3.118895 4.003867 5.452376 4.449848 1.516505 2.589041 2.647598 0.000000 5.679024 5.532841 4.560213 4.561567 7.659258 6.370179 1.516469 2.628155 2.583120 2.529653 0.000000 2.883365 2.849404 4.130963 4.835279 6.912297 7.216397 2.617549 1.470948 2.587495 3.872867 3.075097 0.000000 5.132549 6.465922 1.352842 1.217440 6.261709 3.758689 2.641949 2.633581 1.474954 3.100135 3.853270 3.829064 0.000000 1.915011 1.916503 4.817244 5.790498 6.927882 8.090062 3.837074 2.501112 3.730203 4.915935 4.353853 1.332711 4.762122 0.000000 5.743217 7.985334 1.446647 2.718162 4.918924 2.626633 4.445953 4.267023 3.711202 4.165015 5.871592 5.552160 2.411469 6.142402 0.000000 5.519604 8.217834 2.369032 4.179009 3.686718 3.461847 5.205402 4.811468 4.702858 4.741755 6.709162 6.022562 3.649407 6.358636 1.514963 0.000000 6.954303 9.032260 2.386980 2.944457 5.388247 1.154089 4.716983 4.991626 4.232878 4.116761 6.002029 6.395727 2.946879 7.173182 1.472867 2.466587 0.000000 5.233372 8.026550 2.797113 4.897457 2.424279 3.894018 4.942846 4.619401 4.849839 4.226972 6.425323 5.843114 4.120779 6.143839 2.496728 1.394590 3.100287 0.000000 6.056002 8.901106 3.524086 5.097163 4.176583 4.417766 6.477906 5.913734 5.824748 6.113814 7.984386 6.981331 4.718315 7.135178 2.532223 1.392491 3.485713 2.422657 0.000000 5.471095 8.499373 4.088779 6.241086 1.388219 5.110775 6.037396 5.570694 6.042613 5.299954 7.489492 6.634240 5.427207 6.704720 3.776334 2.403161 4.396604 1.388562 2.788924 0.000000 6.298157 9.365421 4.629830 6.412208 3.656241 5.502315 7.357501 6.703134 6.867259 6.898924 8.873397 7.682148 5.908618 7.655498 3.805633 2.404266 4.666678 2.783654 1.397401 2.404092 0.000000 6.022536 9.175079 4.864740 6.907078 2.381238 5.808606 7.175177 6.559407 6.966991 6.563690 8.662071 7.529148 6.212913 7.458361 4.300598 2.786944 5.049541 2.419375 2.425975 1.395086 1.392370 0.000000 5.163257 7.839353 4.814840 6.967585 1.400325 6.076611 5.437036 5.147082 6.015429 4.548509 6.646044 6.071106 5.928417 6.154615 5.110617 4.187367 5.529248 2.819342 4.996774 2.382669 4.753389 3.608403 0.000000 3.851131 6.471373 4.458386 6.598305 2.423813 6.465882 4.739808 4.181138 5.290676 4.200603 5.910468 4.893270 5.451878 4.841177 5.087472 4.342213 5.758985 3.163291 5.183417 2.986637 5.081414 4.110340 1.393753 0.000000 6.237684 8.615730 5.563487 7.542464 2.394140 6.284041 5.716199 5.758423 6.556982 4.583134 6.744115 6.730580 6.547337 6.970899 5.864399 5.110127 5.970432 3.724846 6.037864 3.457957 5.858166 4.708884 1.388908 2.426454 0.000000 3.897555 5.904555 4.920305 6.830089 3.687737 7.006287 4.262551 3.860536 5.132388 3.823344 5.157222 4.384547 5.640591 4.418531 5.817738 5.362965 6.380164 4.239729 6.352490 4.301183 6.398401 5.483754 2.402104 1.391884 2.795311 0.000000 6.257725 8.188912 5.945161 7.752590 3.670443 6.851955 5.330092 5.529100 6.432662 4.247226 6.097035 6.365850 6.710417 6.676838 6.515254 6.007654 6.582439 4.679704 7.071668 4.644438 7.034311 5.947930 2.399815 2.791448 1.396649 2.414668 0.000000 5.230305 6.887006 5.653904 7.413098 4.175112 7.190238 4.597958 4.631301 5.748111 3.849867 5.263655 5.244567 6.283862 5.484998 6.493403 6.117147 6.769482 4.894561 7.209187 4.986358 7.267833 6.273727 2.775087 2.418224 2.421946 1.396545 1.394402 0.000000 2.834410 4.636647 2.421515 3.983019 4.907523 5.484147 2.189340 1.081928 2.207897 2.680794 3.514408 2.169801 2.770942 2.730680 3.754521 4.002919 4.614761 3.686379 5.076709 4.539049 5.745419 5.520818 4.201062 3.236338 4.964104 3.181407 4.927187 4.126722 0.000000 5.070699 5.248481 3.264112 2.602770 7.698843 5.659819 2.217360 2.247291 1.082723 3.518744 2.671923 2.763648 2.130512 3.933735 4.517456 5.619607 5.005800 5.883712 6.655779 7.078868 7.753013 7.943536 7.072649 6.285364 7.605856 6.042509 7.408580 6.648558 3.109127 0.000000 5.571183 6.672676 4.060115 5.089497 5.442416 5.304625 2.142921 3.092602 3.529444 1.093270 2.740053 4.145333 4.147541 5.082101 5.085278 5.448276 5.036738 4.695754 6.805596 5.566207 7.430339 6.904952 4.335531 3.987630 4.142377 3.323681 3.514283 3.045174 3.134673 4.338917 0.000000 5.093566 6.816643 2.448996 3.855143 4.486322 3.871363 2.180448 2.716494 2.850210 1.087834 3.485089 4.122336 2.882433 4.984311 3.341817 3.723600 3.401868 3.141603 5.098326 4.237215 5.835551 5.491152 3.736091 3.519019 3.946032 3.492021 3.929799 3.706502 2.389933 3.878930 1.763601 0.000000 6.440476 7.525804 3.517317 3.915524 6.104641 4.011093 2.154340 3.457824 3.074381 1.094135 2.806565 4.735072 3.300933 5.870571 4.346877 5.114843 3.941393 4.728723 6.498984 5.889146 7.381214 7.131977 5.297066 5.144369 5.176712 4.823722 4.868322 4.679221 3.650958 3.794979 1.771306 1.770854 0.000000 6.687301 6.590429 4.907837 4.576877 8.148439 6.133736 2.146421 3.505591 3.075512 2.733614 1.093676 4.113800 4.094700 5.415739 6.076298 7.040116 5.952193 6.806271 8.353110 7.949790 9.314157 9.144344 7.172740 6.606756 7.135292 5.903696 6.494665 5.840366 4.322548 3.090368 3.010262 3.760612 2.563913 0.000000 5.670222 5.008849 4.970085 4.707782 8.401643 7.042498 2.186646 2.829490 2.705963 3.489650 1.090805 2.832592 4.097408 4.096273 6.326678 7.233651 6.594379 7.084361 8.428063 8.152854 9.359628 9.242730 7.428174 6.565067 7.648787 5.824325 7.023934 6.084821 3.868877 2.386078 3.772042 4.341657 3.782557 1.765239 0.000000 5.742064 5.480400 5.246608 5.551223 7.650117 7.050946 2.150803 3.072381 3.464203 2.811953 1.094362 3.316595 4.737914 4.434740 6.565633 7.226395 6.704119 6.747147 8.517126 7.676029 9.278867 8.911265 6.500771 5.735987 6.473304 4.770268 5.636056 4.708622 3.826567 3.660139 2.576777 3.786130 3.222208 1.770233 1.772713 0.000000 3.859477 2.895394 4.848765 5.133272 7.900454 7.739731 2.841000 2.191772 2.881541 4.256006 2.751514 1.084694 4.280514 2.059741 6.283796 6.913914 7.003922 6.776430 7.910477 7.637266 8.684896 8.564385 6.998231 5.851136 7.539247 5.200624 7.042339 5.891547 3.110721 2.694194 4.496754 4.729205 4.973011 3.760013 2.175046 3.009736 0.000000 6.111317 8.235953 2.090859 2.617122 5.798132 3.146016 5.091897 4.800353 4.076986 5.040551 6.450883 5.948125 2.674882 6.488886 1.091508 2.165675 2.088808 3.406114 2.643377 4.555880 4.031276 4.817852 6.085081 5.984189 6.913826 6.731828 7.576654 7.493555 4.392652 4.687677 6.016001 4.314012 5.179163 6.647252 6.759177 7.240279 6.630313 0.000000 5.186971 7.727548 2.595414 4.639545 2.673866 3.663751 4.137806 4.052239 4.309069 3.243597 5.565513 5.362545 3.771239 5.825744 2.684253 2.151800 3.006032 1.080615 3.400562 2.147343 3.864233 3.398646 2.540709 2.843598 3.180402 3.645630 3.921815 4.119019 3.206930 5.381109 3.657233 2.160919 3.750694 5.902805 6.317467 5.831717 6.224396 3.738129 0.000000 6.572816 9.258204 3.854801 5.004729 5.259722 4.608140 6.938258 6.363396 6.078420 6.715155 8.409740 7.381496 4.852941 7.556202 2.745154 2.152886 3.687165 3.403977 1.083488 3.872174 2.161373 3.408782 6.051176 6.158123 7.082660 7.272523 8.075247 8.159942 5.639001 6.784596 7.508086 5.765900 7.022481 8.738640 8.760956 9.045315 8.252855 2.408614 4.294743 0.000000 6.976209 10.050875 5.563438 7.212590 4.522551 6.353057 8.361574 7.638116 7.784163 7.960770 9.876422 8.539976 6.791255 8.423756 4.680499 3.387455 5.542696 3.867242 2.151633 3.385120 1.083598 2.143537 5.698099 6.013382 6.814658 7.352917 8.023988 8.260458 6.692239 8.618320 8.503966 6.904324 8.437610 10.330455 10.315300 10.301077 9.547487 4.720491 4.947812 2.487843 0.000000 6.516874 9.719795 5.899180 7.975093 2.588651 6.814245 8.059083 7.398004 7.926935 7.423437 9.520170 8.279159 7.247512 8.089027 5.383190 3.870052 6.103997 3.394613 3.413557 2.146756 2.163194 1.083309 3.913756 4.487576 4.968099 5.876034 6.251497 6.636895 6.332558 8.908600 7.658607 6.366936 8.031940 10.040487 10.109827 9.688805 9.336506 5.884193 4.284818 4.312647 2.487350 0.000000 3.112349 6.044329 4.241614 6.420032 2.648417 6.617642 4.938751 4.080718 5.196548 4.656008 6.192382 4.671694 5.284234 4.424088 4.847935 4.025486 5.764846 3.075096 4.679064 2.840986 4.542967 3.708041 2.145268 1.082591 3.398959 2.162156 3.873847 3.407138 3.056239 6.145593 4.636029 3.917826 5.629850 6.962461 6.707597 6.136347 5.711423 5.609367 3.057026 5.596351 5.402064 4.100145 0.000000 7.222627 9.674740 6.127670 8.049331 2.603359 6.303298 6.512075 6.656978 7.313118 5.254846 7.546958 7.713736 7.150499 7.996969 6.207944 5.388431 6.134806 4.037412 6.232044 3.667439 5.971514 4.804889 2.141979 3.400722 1.083321 3.878412 2.168593 3.411493 5.860336 8.374851 4.869839 4.580800 5.682740 7.828851 8.495035 7.316531 8.514465 7.255799 3.597468 7.276600 6.881067 4.985141 4.280371 0.000000 3.188886 4.875982 5.071157 6.838899 4.564709 7.543869 4.085386 3.460378 4.899936 4.036586 4.839658 3.642741 5.625087 3.524007 6.143690 5.823619 6.839079 4.869696 6.781243 5.020084 6.902338 6.106685 3.384514 2.144999 3.879221 1.083933 3.398434 2.155518 2.940364 5.688038 3.584258 3.877693 5.103090 5.724188 5.341660 4.415550 4.432471 6.960541 4.321530 7.618972 7.820005 6.520390 2.489151 4.962265 0.000000 7.267802 9.003947 6.747935 8.409213 4.539326 7.287422 5.909374 6.313426 7.125694 4.731574 6.500314 7.153925 7.426957 7.550598 7.283785 6.852519 7.172206 5.540319 7.947366 5.537227 7.926901 6.835730 3.381286 3.875377 2.147965 3.398774 1.083935 2.153587 5.817153 8.066005 3.895196 4.563149 5.178613 6.768772 7.481420 5.961555 7.731705 8.364230 4.732286 8.942464 8.916626 7.114035 4.957740 2.494643 4.296903 0.000000 5.638911 6.790535 6.284719 7.843202 5.258737 7.844569 4.685858 4.857865 5.991979 4.079230 5.037150 5.289728 6.727853 5.584753 7.247396 7.021704 7.474085 5.860558 8.163442 6.043025 8.292930 7.335662 3.858698 3.399159 3.403577 2.154123 2.153186 1.083641 4.573830 6.783003 3.111008 4.215352 4.856018 5.605276 5.833228 4.293942 5.766904 8.228291 5.020500 9.077260 9.292667 7.710592 4.304170 4.309552 2.483742 2.483128 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:2.0415,-1.2548,-1.4112;5.0015,-.2515,-.6442;-1.3102,1.8892,-.4919;-.9456,4.1126,-.4296;-3.2685,-2.6679,.0819;-4.2309,3.1901,.691;.7095,1.9088,1.8712;1.195,1.2041,.6245;.6781,2.6468,.525;-.5765,1.4099,2.5013;1.7012,2.4402,2.8879;2.6189,.9431,.3634;-.5785,2.9809,-.1713;3.1129,-.0176,-.417;-2.6266,2.0727,-1.0631;-3.124,.6903,-1.4327;-3.5115,2.7126,-.0748;-3.023,-.3222,-.4789;-3.6321,.4246,-2.7017;-3.3854,-1.6186,-.8195;-4.0384,-.8762,-3.0109;-3.9084,-1.9043,-2.0809;-2.291,-2.5555,1.0783;-.9516,-2.3823,.734;-2.6896,-2.6559,2.405;.0021,-2.2927,1.7439;-1.7226,-2.5776,3.4097;-.3798,-2.3906,3.0836;.5063,.4643,.2386;1.4174,3.4312,.4228;-.3409,.6497,3.2509;-1.254,.9654,1.7755;-1.0953,2.2329,3.002;1.2222,3.2104,3.4991;2.5868,2.8815,2.4287;2.0222,1.6321,3.5523;3.3406,1.5927,.847;-2.5692,2.7215,-1.939;-2.6384,-.1043,.5071;-3.702,1.2155,-3.4389;-4.4369,-1.0955,-3.9944;-4.1924,-2.9213,-2.3229;-.675,-2.3006,-.3095;-3.7393,-2.7843,2.6397;1.0439,-2.1445,1.484;-2.0257,-2.652,4.4477;.3652,-2.3168,3.867; 0.1642523 0.0884370 0.0801056 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= 1.15D-06 NBF= 782 NBsUse= 780 1.00D-06 EigRej= 7.88D-07 NBFU= 780 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= 798 798 798 798 798 MxSgAt= 47 MxSgA2= 47. 1 Closed 1 1 1 -6278.80280422165 -6278.80280422186 -0.000000000211 -6278.80280422 2 6.267796168975e+03 -2.231158292294e+04 6.076610278162e+03 Using DIIS extrapolation, IDIIS= 1040. NGot= 2831155200 LenX= 2829808344 LenY= 2829144934 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 4.2389 292.49 0.0004 0.000 125 127 0.69894 -6278.64702678 2 Singlet-A 4.5456 272.76 0.0555 0.000 123 130 -0.10889 126 127 0.25432 126 128 0.63153 3 Singlet-A 4.5980 269.65 0.0079 0.000 126 127 0.65745 126 128 -0.24756 4 Singlet-A 4.9572 250.11 0.0028 0.000 126 129 0.69990 5 Singlet-A 4.9708 249.43 0.0170 0.000 125 128 0.67379 125 129 0.18471 6 Singlet-A 5.0193 247.02 0.1709 0.000 125 128 -0.20002 125 129 0.62340 125 132 0.15392 7 Singlet-A 5.0741 244.35 0.0929 0.000 123 128 0.11734 126 130 0.60105 126 131 -0.27032 8 Singlet-A 5.0897 243.60 0.0741 0.000 122 130 0.12541 124 128 0.20335 124 130 -0.16275 126 130 0.29996 126 131 0.50364 126 132 -0.12263 9 Singlet-A 5.2494 236.19 0.0053 0.000 123 127 0.12113 124 127 0.66139 124 128 0.13236 126 131 -0.12398 10 Singlet-A 5.2805 234.79 0.0139 0.000 122 128 0.11219 123 127 -0.16501 123 128 -0.23405 123 130 0.10298 124 127 -0.16374 124 128 0.52856 126 131 -0.23700 PT51868.800S 2023-05-21T06:54:02.000 -482.84826 -482.84580 -62.50101 -62.49850 -56.32148 -56.31903 -56.31744 -56.31731 -56.31490 -56.31482 -19.19318 -19.17331 -19.13365 -14.33609 -10.32673 -10.29205 -10.27793 -10.24954 -10.24214 -10.23592 -10.21022 -10.20708 -10.20488 -10.20149 -10.20116 -10.18651 -10.18534 -10.18410 -10.18403 -10.18209 -10.18154 -10.18141 -10.18035 -10.17670 -10.16070 -10.15788 -8.71069 -8.70811 -6.54242 -6.53999 -6.52901 -6.52871 -6.52627 -6.52614 -2.65328 -2.65081 -2.64946 -2.64926 -2.64687 -2.64679 -2.63860 -2.63860 -2.63589 -2.63589 -1.13439 -1.08743 -1.04549 -0.93552 -0.90146 -0.88129 -0.86647 -0.86350 -0.81735 -0.79015 -0.77121 -0.76540 -0.75838 -0.75368 -0.73983 -0.72712 -0.69362 -0.67300 -0.64697 -0.62698 -0.62151 -0.61452 -0.59511 -0.57955 -0.55986 -0.55186 -0.54601 -0.52016 -0.50792 -0.50388 -0.49549 -0.48479 -0.48176 -0.47923 -0.47483 -0.46005 -0.45464 -0.44881 -0.44296 -0.43322 -0.43116 -0.42327 -0.41956 -0.41490 -0.40751 -0.40254 -0.39803 -0.39337 -0.38612 -0.38293 -0.38215 -0.37767 -0.37475 -0.37204 -0.36727 -0.36441 -0.35804 -0.35047 -0.34608 -0.33867 -0.33671 -0.33100 -0.32131 -0.30843 -0.30799 -0.29607 -0.28785 -0.27294 -0.26587 -0.26343 -0.24560 -0.23798 -0.05250 -0.04539 -0.03771 -0.02700 -0.02170 -0.01478 -0.01308 -0.00742 -0.00061 0.00120 0.00625 0.01253 0.01526 0.01936 0.02551 0.02972 0.03324 0.03348 0.03599 0.04218 0.04462 0.05054 0.05112 0.05287 0.05480 0.05823 0.06285 0.06712 0.06949 0.07225 0.07538 0.07742 0.08160 0.08495 0.08775 0.09008 0.09195 0.09444 0.09795 0.09977 0.10140 0.10528 0.10737 0.10920 0.11122 0.11383 0.11713 0.11984 0.12215 0.12440 0.13045 0.13103 0.13313 0.13665 0.13932 0.14091 0.14352 0.14581 0.14929 0.15230 0.15547 0.15822 0.16093 0.16202 0.16423 0.16635 0.16848 0.16990 0.17734 0.17833 0.17979 0.18150 0.18405 0.18640 0.18741 0.18870 0.19381 0.19825 0.19905 0.20307 0.20395 0.20489 0.20884 0.21116 0.21322 0.21462 0.21562 0.22141 0.22199 0.22311 0.22480 0.22658 0.22761 0.23193 0.23267 0.23455 0.23552 0.23823 0.24245 0.24374 0.24402 0.24807 0.24871 0.25178 0.25247 0.25689 0.25950 0.26233 0.26460 0.26703 0.26838 0.26947 0.27071 0.27210 0.27440 0.28000 0.28214 0.28446 0.28766 0.29252 0.29499 0.29551 0.30035 0.30311 0.30619 0.30948 0.31187 0.31457 0.31809 0.32070 0.32485 0.32662 0.33016 0.33449 0.33806 0.33930 0.34085 0.34384 0.34694 0.34909 0.35588 0.35745 0.35876 0.36429 0.36626 0.36955 0.37428 0.37716 0.38353 0.38709 0.38979 0.39488 0.40026 0.40604 0.40687 0.41653 0.41837 0.42504 0.43286 0.43413 0.43666 0.44404 0.45118 0.45503 0.46004 0.46380 0.46951 0.47593 0.48722 0.49349 0.49845 0.50141 0.50713 0.51873 0.52638 0.53397 0.53639 0.54022 0.54308 0.55363 0.55775 0.56191 0.56823 0.56910 0.57156 0.57447 0.57780 0.58129 0.58894 0.59338 0.59638 0.60143 0.60733 0.61673 0.62059 0.62259 0.62675 0.63175 0.63337 0.63562 0.63865 0.64524 0.64932 0.65247 0.65619 0.66168 0.66331 0.66911 0.67060 0.67526 0.67752 0.67951 0.68164 0.68623 0.68997 0.69394 0.69730 0.70149 0.70361 0.70589 0.70883 0.71180 0.71345 0.71502 0.71946 0.73155 0.73389 0.73615 0.74362 0.74497 0.74767 0.75199 0.75352 0.75650 0.76352 0.76799 0.76939 0.77779 0.78289 0.78337 0.78721 0.78947 0.79502 0.79873 0.80727 0.81273 0.82006 0.82685 0.82895 0.83051 0.83710 0.84117 0.84397 0.85118 0.85566 0.86115 0.86435 0.87233 0.87589 0.88040 0.89092 0.89836 0.90865 0.91091 0.91592 0.92261 0.92766 0.93224 0.93574 0.93845 0.94839 0.95361 0.95479 0.96229 0.96934 0.97345 0.98391 0.98683 1.00086 1.00251 1.00454 1.01225 1.01538 1.03092 1.03996 1.04392 1.05769 1.05994 1.06525 1.06930 1.07490 1.07930 1.08191 1.09072 1.10325 1.10914 1.12167 1.12926 1.14199 1.14488 1.15052 1.15979 1.16773 1.17107 1.17771 1.18758 1.19454 1.20141 1.20616 1.21906 1.22394 1.25046 1.26182 1.28785 1.29303 1.30734 1.31780 1.32677 1.32901 1.33346 1.35384 1.37181 1.38248 1.39698 1.39736 1.40179 1.41902 1.42367 1.43598 1.44851 1.45543 1.47392 1.47486 1.48356 1.49318 1.50956 1.51649 1.52314 1.53032 1.53365 1.53592 1.54612 1.55060 1.55372 1.55881 1.56515 1.56660 1.57196 1.57684 1.58769 1.59089 1.60443 1.61065 1.61735 1.62091 1.62440 1.62754 1.63714 1.64492 1.65073 1.66350 1.66375 1.67820 1.68357 1.68519 1.68861 1.69452 1.69864 1.70933 1.71911 1.72812 1.73292 1.73855 1.74862 1.75588 1.75718 1.76731 1.77390 1.78160 1.78822 1.79715 1.79859 1.81115 1.81928 1.82346 1.83796 1.84042 1.84438 1.85355 1.86083 1.87537 1.88249 1.89010 1.90189 1.91068 1.91321 1.92534 1.92916 1.93127 1.93873 1.94355 1.95759 1.96168 1.96963 1.97839 1.98443 1.99476 1.99900 2.00323 2.00769 2.01496 2.02141 2.02476 2.02739 2.03575 2.04358 2.04703 2.05305 2.05525 2.06241 2.07604 2.08311 2.09051 2.09115 2.09745 2.10266 2.10436 2.11305 2.12812 2.13326 2.14804 2.15893 2.17950 2.18566 2.19468 2.21207 2.21771 2.23217 2.23672 2.25189 2.25523 2.26524 2.27269 2.28571 2.31997 2.33654 2.33961 2.34831 2.35870 2.39145 2.40382 2.41019 2.42191 2.42609 2.43587 2.46615 2.47251 2.48329 2.48935 2.49080 2.50718 2.51572 2.53305 2.54433 2.55302 2.57870 2.58190 2.58476 2.60744 2.62422 2.64019 2.65147 2.65737 2.66331 2.67283 2.68721 2.69379 2.69857 2.71452 2.71998 2.72740 2.73279 2.74237 2.75037 2.75370 2.75887 2.76896 2.77180 2.77436 2.78258 2.78549 2.78808 2.80013 2.80512 2.80781 2.81446 2.82170 2.83345 2.83352 2.83890 2.84958 2.86106 2.86481 2.87541 2.88726 2.89522 2.89717 2.90336 2.90719 2.92882 2.93720 2.94092 2.95085 2.96298 2.96935 2.97358 2.98664 2.99511 3.00901 3.01742 3.02706 3.04908 3.05524 3.07139 3.08267 3.09718 3.10671 3.10931 3.12059 3.14285 3.15255 3.16155 3.17072 3.17278 3.18711 3.20159 3.22299 3.24215 3.25112 3.25941 3.27256 3.29042 3.33117 3.34361 3.36099 3.38003 3.38173 3.39811 3.41733 3.43549 3.45061 3.52580 3.54764 3.55544 3.58079 3.59243 3.62906 3.65419 3.66345 3.67584 3.70762 3.71574 3.73244 3.76629 3.81355 3.83743 3.85664 3.86606 3.89602 3.94982 3.99586 4.00753 4.01777 4.02330 4.03715 4.09095 4.12496 4.13918 4.14398 4.15252 4.15727 4.17007 4.17223 4.18130 4.18263 4.19432 4.20967 4.22155 4.23958 4.24892 4.26283 4.31844 4.36214 4.39956 4.52970 4.54254 4.56440 4.58063 4.65455 4.84066 4.85175 5.09846 5.13231 5.15562 5.23501 5.42990 5.44241 5.64970 5.86298 5.87646 6.71506 6.78486 7.56339 7.58848 7.60587 7.65645 7.71586 7.75907 23.54279 23.59862 23.63023 23.78087 23.80809 23.86096 23.88819 23.94499 23.95533 23.96779 23.98112 23.99323 24.01446 24.02651 24.07068 24.07864 24.09328 24.09961 24.18065 24.19216 24.19583 24.34414 35.86906 47.97390 48.03619 49.93495 49.98373 50.00977 289.76003 289.78435 289.80005 289.86149 289.93307 289.972431020 .776811020 .85492 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 -0.062855 -0.012933 0.140587 -0.327786 -0.023760 -0.349100 0.008995 0.880604 -0.488621 -0.519499 -0.414945 -0.712943 -0.058430 -0.053101 0.329174 0.701716 -0.416353 0.947225 -0.481395 -0.833816 -0.218025 -0.615415 -0.615186 0.122455 -0.230029 0.376898 -0.053621 -0.440895 0.190936 0.209022 0.177580 0.140757 0.172598 0.174830 0.158571 0.171386 0.190897 0.254695 0.227125 0.163147 0.175433 0.171327 0.163367 0.169590 0.174262 0.170394 0.165135 -0.00000 3.1095 -2.4793 0.3643 3.9936 -206.8010 -220.4568 -166.7587 23.7531 22.1845 -2.7847 -8.7955 -22.4513 31.2468 23.7531 22.1845 -2.7847 315.8950 -140.7083 -55.2219 169.2462 -71.0832 -71.4478 17.0418 -23.0560 -39.3677 37.5545 -9752.3448 -5637.8602 -3085.0779 331.8765 91.8735 224.2182 135.4114 -40.4268 -23.9125 -2600.3542 -1903.7962 -1276.3225 -92.2383 82.9665 40.1841 (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A) (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(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-CIBELES02 VALENTIN 2023-05-21T00:00:00.000 0 Electronic spectrum Deltamethrin-trans CONF41 water 0 1 Version=EM64L-G16RevC.01 State=1-A HF=-6278.8028042 RMSD=6.367e-09 PG=C01 [X(C22H19Br2N1O3)] 0 -1.0578678564 -0.4846574823 2.3512532354 0 -3.2714744268 1.6963949037 3.1878326305 0 2.066771978 1.1011829502 -0.760917721 0 2.6129172206 3.2774242181 -0.9754825942 0 1.4336597359 -3.7863857926 -1.5618604256 0 4.0244966378 1.2084437164 -3.5497880687 0 -0.7403993868 2.150297608 -1.5873632305 0 -0.6566728003 1.5933207479 -0.1840503892 0 0.3272190937 2.6875928722 -0.6233769858 0 -0.3489834211 1.2323530133 -2.7292734395 0 -1.8383717546 3.1272734481 -1.9610640141 0 -1.6477439859 1.9091089073 0.8560191932 0 1.7669194323 2.4198092664 -0.7995733614 0 -1.9321848069 1.1647395324 1.9242542561 0 3.4217535163 0.6833994225 -1.0477423944 0 3.4674102837 -0.8091925108 -0.7924014102 0 3.7514209133 0.9963634152 -2.448709858 0 2.4668296123 -1.6033612301 -1.3518788324 0 4.4566513884 -1.371191027 0.0104626621 0 2.4302004561 -2.9604135026 -1.0600351376 0 4.4326465772 -2.7471523362 0.2531244762 0 3.4184138328 -3.5459781624 -0.2683192158 0 0.1977963793 -3.198334459 -1.858080214 0 -0.5188747376 -2.5292826122 -0.8674741601 0 -0.3017602711 -3.3314435793 -3.1471844437 0 -1.7536523792 -1.9703963633 -1.1841958645 0 -1.5476328466 -2.7778835264 -3.450502147 0 -2.2718246348 -2.0932467033 -2.4752198211 0 -0.2170287352 0.6064560397 -0.1259103895 0 0.1445191398 3.6915169648 -0.2613738465 0 -1.235907911 0.7038067388 -3.0887777041 0 0.387771537 0.4880498721 -2.4350171682 0 0.0597177317 1.8161451101 -3.5595033145 0 -1.5415814933 3.6890734936 -2.851245184 0 -2.0563480191 3.8460399935 -1.1700412569 0 -2.7576032953 2.5819237692 -2.1960842987 0 -2.2011762809 2.8360449201 0.7508336099 0 4.123863548 1.2179761609 -0.4053562199 0 1.7098916206 -1.1604150036 -1.9832045465 0 5.2273136138 -0.7464468932 0.4460328618 0 5.1976873293 -3.1968586797 0.8749448536 0 3.3752698367 -4.6081701655 -0.059882803 0 -0.0979334279 -2.4370827312 0.1256574015 0 0.2826821904 -3.8522380202 -3.8960393534 0 -2.3104424979 -1.436934242 -0.4224120947 0 -1.9433535939 -2.8746850075 -4.4549668607 0 -3.2318896596 -1.6536230393 -2.718704176 Gaussian 16 21-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=Water) 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:-1.0579,-.4847,2.3513;-3.2715,1.6964,3.1878;2.0668,1.1012,-.7609;2.6129,3.2774,-.9755;1.4337,-3.7864,-1.5619;4.0245,1.2084,-3.5498;-.7404,2.1503,-1.5874;-.6567,1.5933,-.184;.3272,2.6876,-.6234;-.349,1.2324,-2.7293;-1.8384,3.1273,-1.9611;-1.6477,1.9091,.856;1.7669,2.4198,-.7996;-1.9322,1.1647,1.9243;3.4218,.6834,-1.0477;3.4674,-.8092,-.7924;3.7514,.9964,-2.4487;2.4668,-1.6034,-1.3519;4.4567,-1.3712,.0105;2.4302,-2.9604,-1.06;4.4326,-2.7472,.2531;3.4184,-3.546,-.2683;.1978,-3.1983,-1.8581;-.5189,-2.5293,-.8675;-.3018,-3.3314,-3.1472;-1.7537,-1.9704,-1.1842;-1.5476,-2.7779,-3.4505;-2.2718,-2.0932,-2.4752;-.217,.6065,-.1259;.1445,3.6915,-.2614;-1.2359,.7038,-3.0888;.3878,.488,-2.435;.0597,1.8161,-3.5595;-1.5416,3.6891,-2.8512;-2.0563,3.846,-1.17;-2.7576,2.5819,-2.1961;-2.2012,2.836,.7508;4.1239,1.218,-.4054;1.7099,-1.1604,-1.9832;5.2273,-.7464,.446;5.1977,-3.1969,.8749;3.3753,-4.6082,-.0599;-.0979,-2.4371,.1257;.2827,-3.8522,-3.896;-2.3104,-1.4369,-.4224;-1.9434,-2.8747,-4.455;-3.2319,-1.6536,-2.7187; oldchk=/home/valentin/Almacen/Insecticides/G3/Deltamethrin-trans/gaussian/water #P B3LYP 6-311+G(3df,2p) EmpiricalDispersion=gd3 scrf=(smd,Solvent=Wat 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=1,74=-5,116=-2,124=31/1,2,3 4/5=1/1 5/5=2,38=6,53=1/2 6/7=2,8=2,9=2,10=2,28=1/1 99/5=1,9=1/99 Single Point Deltamethrin-trans CONF41 water 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 3688.4211267568 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 -0.0620417751 PCM SMD-Coulomb. Total charges None On-the-fly selection Water 78.355300 1.777849 0.000000 3.218215 0.000000 4.686563 6.666617 0.000000 6.220538 7.379628 2.253961 0.000000 5.693995 8.646315 4.993062 7.185534 0.000000 7.969900 9.943079 3.409104 3.591697 5.967631 0.000000 4.749366 5.423547 3.108676 3.590201 6.322293 5.238553 0.000000 3.302532 4.268185 2.827035 3.762019 5.933725 5.778379 1.512124 0.000000 4.563996 5.334640 2.358317 2.386691 6.634558 4.941824 1.535502 1.535735 0.000000 5.409473 6.615772 3.118895 4.003867 5.452376 4.449848 1.516505 2.589041 2.647598 0.000000 5.679024 5.532841 4.560213 4.561567 7.659258 6.370179 1.516469 2.628155 2.583120 2.529653 0.000000 2.883365 2.849404 4.130963 4.835279 6.912297 7.216397 2.617549 1.470948 2.587495 3.872867 3.075097 0.000000 5.132549 6.465922 1.352842 1.217440 6.261709 3.758689 2.641949 2.633581 1.474954 3.100135 3.853270 3.829064 0.000000 1.915011 1.916503 4.817244 5.790498 6.927882 8.090062 3.837074 2.501112 3.730203 4.915935 4.353853 1.332711 4.762122 0.000000 5.743217 7.985334 1.446647 2.718162 4.918924 2.626633 4.445953 4.267023 3.711202 4.165015 5.871592 5.552160 2.411469 6.142402 0.000000 5.519604 8.217834 2.369032 4.179009 3.686718 3.461847 5.205402 4.811468 4.702858 4.741755 6.709162 6.022562 3.649407 6.358636 1.514963 0.000000 6.954303 9.032260 2.386980 2.944457 5.388247 1.154089 4.716983 4.991626 4.232878 4.116761 6.002029 6.395727 2.946879 7.173182 1.472867 2.466587 0.000000 5.233372 8.026550 2.797113 4.897457 2.424279 3.894018 4.942846 4.619401 4.849839 4.226972 6.425323 5.843114 4.120779 6.143839 2.496728 1.394590 3.100287 0.000000 6.056002 8.901106 3.524086 5.097163 4.176583 4.417766 6.477906 5.913734 5.824748 6.113814 7.984386 6.981331 4.718315 7.135178 2.532223 1.392491 3.485713 2.422657 0.000000 5.471095 8.499373 4.088779 6.241086 1.388219 5.110775 6.037396 5.570694 6.042613 5.299954 7.489492 6.634240 5.427207 6.704720 3.776334 2.403161 4.396604 1.388562 2.788924 0.000000 6.298157 9.365421 4.629830 6.412208 3.656241 5.502315 7.357501 6.703134 6.867259 6.898924 8.873397 7.682148 5.908618 7.655498 3.805633 2.404266 4.666678 2.783654 1.397401 2.404092 0.000000 6.022536 9.175079 4.864740 6.907078 2.381238 5.808606 7.175177 6.559407 6.966991 6.563690 8.662071 7.529148 6.212913 7.458361 4.300598 2.786944 5.049541 2.419375 2.425975 1.395086 1.392370 0.000000 5.163257 7.839353 4.814840 6.967585 1.400325 6.076611 5.437036 5.147082 6.015429 4.548509 6.646044 6.071106 5.928417 6.154615 5.110617 4.187367 5.529248 2.819342 4.996774 2.382669 4.753389 3.608403 0.000000 3.851131 6.471373 4.458386 6.598305 2.423813 6.465882 4.739808 4.181138 5.290676 4.200603 5.910468 4.893270 5.451878 4.841177 5.087472 4.342213 5.758985 3.163291 5.183417 2.986637 5.081414 4.110340 1.393753 0.000000 6.237684 8.615730 5.563487 7.542464 2.394140 6.284041 5.716199 5.758423 6.556982 4.583134 6.744115 6.730580 6.547337 6.970899 5.864399 5.110127 5.970432 3.724846 6.037864 3.457957 5.858166 4.708884 1.388908 2.426454 0.000000 3.897555 5.904555 4.920305 6.830089 3.687737 7.006287 4.262551 3.860536 5.132388 3.823344 5.157222 4.384547 5.640591 4.418531 5.817738 5.362965 6.380164 4.239729 6.352490 4.301183 6.398401 5.483754 2.402104 1.391884 2.795311 0.000000 6.257725 8.188912 5.945161 7.752590 3.670443 6.851955 5.330092 5.529100 6.432662 4.247226 6.097035 6.365850 6.710417 6.676838 6.515254 6.007654 6.582439 4.679704 7.071668 4.644438 7.034311 5.947930 2.399815 2.791448 1.396649 2.414668 0.000000 5.230305 6.887006 5.653904 7.413098 4.175112 7.190238 4.597958 4.631301 5.748111 3.849867 5.263655 5.244567 6.283862 5.484998 6.493403 6.117147 6.769482 4.894561 7.209187 4.986358 7.267833 6.273727 2.775087 2.418224 2.421946 1.396545 1.394402 0.000000 2.834410 4.636647 2.421515 3.983019 4.907523 5.484147 2.189340 1.081928 2.207897 2.680794 3.514408 2.169801 2.770942 2.730680 3.754521 4.002919 4.614761 3.686379 5.076709 4.539049 5.745419 5.520818 4.201062 3.236338 4.964104 3.181407 4.927187 4.126722 0.000000 5.070699 5.248481 3.264112 2.602770 7.698843 5.659819 2.217360 2.247291 1.082723 3.518744 2.671923 2.763648 2.130512 3.933735 4.517456 5.619607 5.005800 5.883712 6.655779 7.078868 7.753013 7.943536 7.072649 6.285364 7.605856 6.042509 7.408580 6.648558 3.109127 0.000000 5.571183 6.672676 4.060115 5.089497 5.442416 5.304625 2.142921 3.092602 3.529444 1.093270 2.740053 4.145333 4.147541 5.082101 5.085278 5.448276 5.036738 4.695754 6.805596 5.566207 7.430339 6.904952 4.335531 3.987630 4.142377 3.323681 3.514283 3.045174 3.134673 4.338917 0.000000 5.093566 6.816643 2.448996 3.855143 4.486322 3.871363 2.180448 2.716494 2.850210 1.087834 3.485089 4.122336 2.882433 4.984311 3.341817 3.723600 3.401868 3.141603 5.098326 4.237215 5.835551 5.491152 3.736091 3.519019 3.946032 3.492021 3.929799 3.706502 2.389933 3.878930 1.763601 0.000000 6.440476 7.525804 3.517317 3.915524 6.104641 4.011093 2.154340 3.457824 3.074381 1.094135 2.806565 4.735072 3.300933 5.870571 4.346877 5.114843 3.941393 4.728723 6.498984 5.889146 7.381214 7.131977 5.297066 5.144369 5.176712 4.823722 4.868322 4.679221 3.650958 3.794979 1.771306 1.770854 0.000000 6.687301 6.590429 4.907837 4.576877 8.148439 6.133736 2.146421 3.505591 3.075512 2.733614 1.093676 4.113800 4.094700 5.415739 6.076298 7.040116 5.952193 6.806271 8.353110 7.949790 9.314157 9.144344 7.172740 6.606756 7.135292 5.903696 6.494665 5.840366 4.322548 3.090368 3.010262 3.760612 2.563913 0.000000 5.670222 5.008849 4.970085 4.707782 8.401643 7.042498 2.186646 2.829490 2.705963 3.489650 1.090805 2.832592 4.097408 4.096273 6.326678 7.233651 6.594379 7.084361 8.428063 8.152854 9.359628 9.242730 7.428174 6.565067 7.648787 5.824325 7.023934 6.084821 3.868877 2.386078 3.772042 4.341657 3.782557 1.765239 0.000000 5.742064 5.480400 5.246608 5.551223 7.650117 7.050946 2.150803 3.072381 3.464203 2.811953 1.094362 3.316595 4.737914 4.434740 6.565633 7.226395 6.704119 6.747147 8.517126 7.676029 9.278867 8.911265 6.500771 5.735987 6.473304 4.770268 5.636056 4.708622 3.826567 3.660139 2.576777 3.786130 3.222208 1.770233 1.772713 0.000000 3.859477 2.895394 4.848765 5.133272 7.900454 7.739731 2.841000 2.191772 2.881541 4.256006 2.751514 1.084694 4.280514 2.059741 6.283796 6.913914 7.003922 6.776430 7.910477 7.637266 8.684896 8.564385 6.998231 5.851136 7.539247 5.200624 7.042339 5.891547 3.110721 2.694194 4.496754 4.729205 4.973011 3.760013 2.175046 3.009736 0.000000 6.111317 8.235953 2.090859 2.617122 5.798132 3.146016 5.091897 4.800353 4.076986 5.040551 6.450883 5.948125 2.674882 6.488886 1.091508 2.165675 2.088808 3.406114 2.643377 4.555880 4.031276 4.817852 6.085081 5.984189 6.913826 6.731828 7.576654 7.493555 4.392652 4.687677 6.016001 4.314012 5.179163 6.647252 6.759177 7.240279 6.630313 0.000000 5.186971 7.727548 2.595414 4.639545 2.673866 3.663751 4.137806 4.052239 4.309069 3.243597 5.565513 5.362545 3.771239 5.825744 2.684253 2.151800 3.006032 1.080615 3.400562 2.147343 3.864233 3.398646 2.540709 2.843598 3.180402 3.645630 3.921815 4.119019 3.206930 5.381109 3.657233 2.160919 3.750694 5.902805 6.317467 5.831717 6.224396 3.738129 0.000000 6.572816 9.258204 3.854801 5.004729 5.259722 4.608140 6.938258 6.363396 6.078420 6.715155 8.409740 7.381496 4.852941 7.556202 2.745154 2.152886 3.687165 3.403977 1.083488 3.872174 2.161373 3.408782 6.051176 6.158123 7.082660 7.272523 8.075247 8.159942 5.639001 6.784596 7.508086 5.765900 7.022481 8.738640 8.760956 9.045315 8.252855 2.408614 4.294743 0.000000 6.976209 10.050875 5.563438 7.212590 4.522551 6.353057 8.361574 7.638116 7.784163 7.960770 9.876422 8.539976 6.791255 8.423756 4.680499 3.387455 5.542696 3.867242 2.151633 3.385120 1.083598 2.143537 5.698099 6.013382 6.814658 7.352917 8.023988 8.260458 6.692239 8.618320 8.503966 6.904324 8.437610 10.330455 10.315300 10.301077 9.547487 4.720491 4.947812 2.487843 0.000000 6.516874 9.719795 5.899180 7.975093 2.588651 6.814245 8.059083 7.398004 7.926935 7.423437 9.520170 8.279159 7.247512 8.089027 5.383190 3.870052 6.103997 3.394613 3.413557 2.146756 2.163194 1.083309 3.913756 4.487576 4.968099 5.876034 6.251497 6.636895 6.332558 8.908600 7.658607 6.366936 8.031940 10.040487 10.109827 9.688805 9.336506 5.884193 4.284818 4.312647 2.487350 0.000000 3.112349 6.044329 4.241614 6.420032 2.648417 6.617642 4.938751 4.080718 5.196548 4.656008 6.192382 4.671694 5.284234 4.424088 4.847935 4.025486 5.764846 3.075096 4.679064 2.840986 4.542967 3.708041 2.145268 1.082591 3.398959 2.162156 3.873847 3.407138 3.056239 6.145593 4.636029 3.917826 5.629850 6.962461 6.707597 6.136347 5.711423 5.609367 3.057026 5.596351 5.402064 4.100145 0.000000 7.222627 9.674740 6.127670 8.049331 2.603359 6.303298 6.512075 6.656978 7.313118 5.254846 7.546958 7.713736 7.150499 7.996969 6.207944 5.388431 6.134806 4.037412 6.232044 3.667439 5.971514 4.804889 2.141979 3.400722 1.083321 3.878412 2.168593 3.411493 5.860336 8.374851 4.869839 4.580800 5.682740 7.828851 8.495035 7.316531 8.514465 7.255799 3.597468 7.276600 6.881067 4.985141 4.280371 0.000000 3.188886 4.875982 5.071157 6.838899 4.564709 7.543869 4.085386 3.460378 4.899936 4.036586 4.839658 3.642741 5.625087 3.524007 6.143690 5.823619 6.839079 4.869696 6.781243 5.020084 6.902338 6.106685 3.384514 2.144999 3.879221 1.083933 3.398434 2.155518 2.940364 5.688038 3.584258 3.877693 5.103090 5.724188 5.341660 4.415550 4.432471 6.960541 4.321530 7.618972 7.820005 6.520390 2.489151 4.962265 0.000000 7.267802 9.003947 6.747935 8.409213 4.539326 7.287422 5.909374 6.313426 7.125694 4.731574 6.500314 7.153925 7.426957 7.550598 7.283785 6.852519 7.172206 5.540319 7.947366 5.537227 7.926901 6.835730 3.381286 3.875377 2.147965 3.398774 1.083935 2.153587 5.817153 8.066005 3.895196 4.563149 5.178613 6.768772 7.481420 5.961555 7.731705 8.364230 4.732286 8.942464 8.916626 7.114035 4.957740 2.494643 4.296903 0.000000 5.638911 6.790535 6.284719 7.843202 5.258737 7.844569 4.685858 4.857865 5.991979 4.079230 5.037150 5.289728 6.727853 5.584753 7.247396 7.021704 7.474085 5.860558 8.163442 6.043025 8.292930 7.335662 3.858698 3.399159 3.403577 2.154123 2.153186 1.083641 4.573830 6.783003 3.111008 4.215352 4.856018 5.605276 5.833228 4.293942 5.766904 8.228291 5.020500 9.077260 9.292667 7.710592 4.304170 4.309552 2.483742 2.483128 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:2.0415,-1.2548,-1.4112;5.0015,-.2515,-.6442;-1.3102,1.8892,-.4919;-.9456,4.1126,-.4296;-3.2685,-2.6679,.0819;-4.2309,3.1901,.691;.7095,1.9088,1.8712;1.195,1.2041,.6245;.6781,2.6468,.525;-.5765,1.4099,2.5013;1.7012,2.4402,2.8879;2.6189,.9431,.3634;-.5785,2.9809,-.1713;3.1129,-.0176,-.417;-2.6266,2.0727,-1.0631;-3.124,.6903,-1.4327;-3.5115,2.7126,-.0748;-3.023,-.3222,-.4789;-3.6321,.4246,-2.7017;-3.3854,-1.6186,-.8195;-4.0384,-.8762,-3.0109;-3.9084,-1.9043,-2.0809;-2.291,-2.5555,1.0783;-.9516,-2.3823,.734;-2.6896,-2.6559,2.405;.0021,-2.2927,1.7439;-1.7226,-2.5776,3.4097;-.3798,-2.3906,3.0836;.5063,.4643,.2386;1.4174,3.4312,.4228;-.3409,.6497,3.2509;-1.254,.9654,1.7755;-1.0953,2.2329,3.002;1.2222,3.2104,3.4991;2.5868,2.8815,2.4287;2.0222,1.6321,3.5523;3.3406,1.5927,.847;-2.5692,2.7215,-1.939;-2.6384,-.1043,.5071;-3.702,1.2155,-3.4389;-4.4369,-1.0955,-3.9944;-4.1924,-2.9213,-2.3229;-.675,-2.3006,-.3095;-3.7393,-2.7843,2.6397;1.0439,-2.1445,1.484;-2.0257,-2.652,4.4477;.3652,-2.3168,3.867; 0.1642523 0.0884370 0.0801056 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= 1.07D-06 NBF= 1315 NBsUse= 1310 1.00D-06 EigRej= 9.71D-07 NBFU= 1310 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= 1460 1460 1460 1460 1460 MxSgAt= 47 MxSgA2= 47. 1 Closed 1 1 1 -6278.80808936044 -6278.88742221322 -0.079332852782 -6278.88731517183 0.000107041387 -6278.88775285781 -0.000437685974 -6278.88785242435 -0.000099566547 -6278.88785857509 -0.000006150733 -6278.88785935579 -0.000000780701 -6278.88785940363 -0.000000047838 -6278.88785941893 -0.000000015305 -6278.88785941924 -0.000000000311 -6278.88785941981 -0.000000000569 -6278.88785941953 0.000000000276 -6278.88785942 12 6.267496836325e+03 -2.231178773466e+04 6.077029367333e+03 Using DIIS extrapolation, IDIIS= 1040. NGot= 2831155200 LenX= 2826695756 LenY= 2824483100 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. PT43983.800S 2023-05-21T07:39:57.000 -482.84576 -482.84326 -62.49865 -62.49616 -56.31892 -56.31647 -56.31507 -56.31493 -56.31252 -56.31244 -19.19201 -19.17248 -19.13176 -14.33374 -10.32305 -10.28965 -10.27616 -10.24737 -10.23999 -10.23414 -10.20894 -10.20522 -10.20287 -10.19980 -10.19938 -10.18493 -10.18340 -10.18230 -10.18222 -10.18033 -10.18000 -10.17949 -10.17853 -10.17503 -10.15943 -10.15658 -8.70966 -8.70723 -6.54025 -6.53796 -6.52854 -6.52818 -6.52596 -6.52577 -2.65134 -2.64900 -2.64799 -2.64773 -2.64555 -2.64541 -2.63833 -2.63833 -2.63579 -2.63578 -1.13022 -1.08399 -1.04148 -0.93152 -0.89932 -0.87889 -0.86369 -0.86124 -0.81480 -0.78823 -0.76898 -0.76359 -0.75658 -0.75170 -0.73817 -0.72529 -0.69289 -0.67106 -0.64481 -0.62510 -0.61961 -0.61245 -0.59339 -0.57777 -0.55804 -0.55010 -0.54419 -0.51861 -0.50642 -0.50224 -0.49400 -0.48311 -0.48041 -0.47758 -0.47294 -0.45846 -0.45283 -0.44741 -0.44144 -0.43186 -0.43022 -0.42209 -0.41840 -0.41361 -0.40659 -0.40143 -0.39679 -0.39248 -0.38529 -0.38245 -0.38121 -0.37639 -0.37329 -0.37100 -0.36628 -0.36325 -0.35677 -0.34912 -0.34519 -0.33778 -0.33576 -0.33031 -0.32079 -0.30831 -0.30749 -0.29561 -0.28738 -0.27242 -0.26530 -0.26285 -0.24503 -0.23728 -0.05089 -0.04499 -0.03717 -0.02677 -0.02158 -0.01434 -0.01261 -0.00687 -0.00035 0.00126 0.00564 0.01202 0.01468 0.01907 0.02437 0.02907 0.03214 0.03222 0.03483 0.04105 0.04333 0.04921 0.04990 0.05186 0.05378 0.05662 0.06180 0.06555 0.06818 0.07126 0.07389 0.07650 0.08041 0.08346 0.08551 0.08835 0.09031 0.09293 0.09656 0.09747 0.09942 0.10243 0.10598 0.10791 0.10868 0.11169 0.11548 0.11727 0.12032 0.12178 0.12673 0.12882 0.13128 0.13401 0.13644 0.13819 0.14084 0.14377 0.14667 0.14902 0.15228 0.15495 0.15832 0.15869 0.16146 0.16241 0.16545 0.16692 0.17292 0.17475 0.17584 0.17778 0.18071 0.18181 0.18342 0.18406 0.18836 0.19260 0.19337 0.19714 0.20006 0.20036 0.20209 0.20524 0.20674 0.20908 0.20985 0.21404 0.21465 0.21627 0.21795 0.21995 0.22211 0.22374 0.22493 0.22749 0.22849 0.23227 0.23441 0.23638 0.23925 0.24117 0.24150 0.24293 0.24498 0.24864 0.25023 0.25070 0.25390 0.25664 0.25913 0.26275 0.26316 0.26429 0.26593 0.26772 0.27172 0.27614 0.27772 0.27927 0.28407 0.28548 0.28691 0.29213 0.29468 0.29809 0.30128 0.30229 0.30338 0.30447 0.30681 0.31016 0.31300 0.31538 0.31654 0.31906 0.32071 0.32580 0.32907 0.33143 0.33544 0.33616 0.33759 0.34091 0.34372 0.34577 0.34809 0.35172 0.35457 0.35639 0.35861 0.35961 0.36231 0.36663 0.36890 0.36999 0.37597 0.37716 0.38076 0.38337 0.38841 0.39485 0.39862 0.40158 0.40402 0.40742 0.41148 0.41462 0.42029 0.42186 0.42461 0.42921 0.43246 0.43588 0.43674 0.43945 0.44369 0.44567 0.44923 0.45354 0.45501 0.45959 0.46323 0.46587 0.46867 0.47328 0.47560 0.47920 0.47983 0.48615 0.48918 0.49290 0.49642 0.49816 0.50280 0.50557 0.50853 0.51012 0.51390 0.51698 0.51905 0.52382 0.52683 0.52964 0.53437 0.53617 0.54146 0.54359 0.54814 0.54917 0.55175 0.55753 0.56043 0.56138 0.56357 0.56410 0.56744 0.56972 0.57264 0.57693 0.57919 0.58015 0.58325 0.58825 0.58931 0.59209 0.59362 0.59744 0.60079 0.60279 0.60550 0.60768 0.61092 0.61318 0.61569 0.61717 0.62184 0.62367 0.62951 0.63160 0.63311 0.63764 0.64025 0.64553 0.64881 0.65052 0.65272 0.65684 0.66002 0.66085 0.66448 0.66600 0.67211 0.67323 0.67982 0.68249 0.68308 0.68521 0.69233 0.69242 0.69479 0.70093 0.70871 0.71194 0.71447 0.71696 0.72139 0.72209 0.72848 0.72987 0.73408 0.74190 0.74331 0.74653 0.74733 0.75344 0.75656 0.75976 0.76128 0.76500 0.76971 0.77259 0.77616 0.78093 0.78660 0.79055 0.79713 0.79817 0.80217 0.80487 0.80892 0.81494 0.81982 0.82062 0.82451 0.82819 0.83342 0.83637 0.84266 0.84839 0.85197 0.85677 0.86185 0.86329 0.86712 0.86980 0.87472 0.88322 0.88691 0.89055 0.89992 0.90526 0.90915 0.91254 0.91447 0.91830 0.92101 0.92572 0.92839 0.93527 0.94002 0.94520 0.94885 0.95366 0.96444 0.96535 0.97416 0.97862 0.98126 0.98323 0.99014 0.99150 0.99587 0.99869 1.00002 1.00483 1.00939 1.01212 1.01846 1.01998 1.02450 1.02781 1.03226 1.03527 1.03863 1.04464 1.05058 1.05268 1.06084 1.06262 1.06582 1.06957 1.07219 1.08158 1.08523 1.09127 1.09307 1.09661 1.10016 1.10589 1.11035 1.11574 1.12089 1.12175 1.12562 1.12900 1.13257 1.14099 1.14596 1.14863 1.15101 1.15752 1.16256 1.16752 1.16902 1.17340 1.17684 1.18065 1.18227 1.18543 1.18688 1.19441 1.19937 1.20479 1.20826 1.21194 1.21508 1.22217 1.22389 1.22792 1.23223 1.23713 1.24059 1.24352 1.24425 1.24706 1.25221 1.25351 1.25991 1.26261 1.26468 1.26885 1.27072 1.27496 1.28201 1.28502 1.29275 1.29498 1.29917 1.30374 1.30415 1.30714 1.31516 1.31820 1.32022 1.32497 1.33216 1.33278 1.33846 1.34014 1.34325 1.35148 1.35664 1.36004 1.36371 1.36699 1.36942 1.37335 1.37544 1.37993 1.38235 1.38847 1.39195 1.39616 1.39894 1.40414 1.40970 1.41155 1.41559 1.41662 1.42210 1.42849 1.42894 1.43314 1.43652 1.43902 1.44268 1.44612 1.44919 1.45545 1.45771 1.46022 1.46430 1.47048 1.47333 1.47516 1.48177 1.48668 1.48879 1.49262 1.50104 1.50527 1.50766 1.50965 1.51562 1.52012 1.52542 1.52749 1.52884 1.53850 1.54117 1.54487 1.55352 1.55645 1.56053 1.56372 1.56796 1.57123 1.57931 1.58538 1.58863 1.59321 1.59639 1.60053 1.60978 1.61281 1.61727 1.62229 1.62362 1.63108 1.63854 1.64233 1.64572 1.65109 1.65581 1.66335 1.66657 1.66937 1.67260 1.67569 1.68190 1.68811 1.69167 1.70093 1.70453 1.70986 1.71488 1.72486 1.72750 1.73030 1.73917 1.74128 1.74934 1.75562 1.75709 1.76563 1.77087 1.77910 1.78722 1.78947 1.79686 1.80008 1.80544 1.81269 1.82187 1.83204 1.83712 1.85216 1.85301 1.86336 1.86976 1.87280 1.87813 1.88658 1.89430 1.89805 1.90110 1.90776 1.91591 1.91837 1.92938 1.93439 1.94224 1.95058 1.95593 1.96343 1.96674 1.97281 1.97450 1.97726 1.98251 1.99578 2.00256 2.01387 2.02349 2.03114 2.03646 2.04214 2.04697 2.06000 2.06312 2.06948 2.07477 2.07719 2.08456 2.09054 2.09776 2.10711 2.10808 2.11629 2.12077 2.13087 2.14218 2.15063 2.15570 2.15966 2.16815 2.17848 2.18348 2.18751 2.19254 2.20039 2.20990 2.21641 2.22061 2.23470 2.24417 2.24843 2.26942 2.27776 2.28406 2.29603 2.31689 2.32379 2.33437 2.33703 2.34973 2.36198 2.36229 2.37251 2.37714 2.38957 2.39314 2.40528 2.41439 2.42111 2.42436 2.42775 2.43999 2.44390 2.45227 2.46542 2.47550 2.47986 2.48726 2.49139 2.50031 2.50874 2.52719 2.53819 2.54226 2.54814 2.55026 2.56566 2.60192 2.60834 2.62900 2.63158 2.64332 2.65185 2.67446 2.69703 2.70727 2.71220 2.71743 2.73419 2.74545 2.75015 2.76138 2.77994 2.78832 2.79207 2.79771 2.80698 2.81100 2.81354 2.82164 2.83232 2.83664 2.84336 2.85025 2.85508 2.85746 2.86302 2.87227 2.87973 2.88465 2.88652 2.89505 2.89658 2.89917 2.91206 2.91430 2.92059 2.92479 2.92658 2.93514 2.94051 2.94251 2.94976 2.95151 2.95722 2.96565 2.96829 2.97378 2.97971 2.98328 2.98966 3.00250 3.00531 3.01146 3.01202 3.02709 3.03039 3.04144 3.04241 3.05011 3.05442 3.05815 3.06871 3.07351 3.08140 3.09281 3.09876 3.10208 3.10554 3.11075 3.11634 3.12569 3.13136 3.13445 3.14196 3.15383 3.15889 3.16557 3.17026 3.17838 3.18681 3.18812 3.19538 3.20939 3.21359 3.21871 3.22344 3.23261 3.24604 3.24852 3.25182 3.25954 3.26425 3.26910 3.27674 3.27813 3.28362 3.28681 3.29047 3.29486 3.30018 3.30522 3.31675 3.31958 3.32503 3.32824 3.33155 3.33707 3.34195 3.35579 3.36060 3.37000 3.37425 3.37928 3.38215 3.39587 3.39850 3.40630 3.41417 3.41635 3.42110 3.42584 3.43077 3.43318 3.44013 3.44220 3.44716 3.45300 3.45593 3.46313 3.47020 3.48064 3.49190 3.49599 3.50050 3.50601 3.52001 3.52504 3.53211 3.53548 3.54566 3.55376 3.55616 3.56185 3.56811 3.58059 3.58762 3.59015 3.59080 3.60146 3.60476 3.60891 3.61519 3.62007 3.62779 3.63350 3.64335 3.64585 3.65379 3.66024 3.66334 3.67010 3.67718 3.68167 3.68520 3.69454 3.69827 3.70705 3.71379 3.71843 3.72252 3.73423 3.74175 3.75075 3.75456 3.76672 3.77607 3.78477 3.79444 3.80077 3.80672 3.80896 3.81527 3.82281 3.82804 3.83305 3.85377 3.86020 3.86414 3.87180 3.87805 3.89717 3.90569 3.91448 3.92651 3.93063 3.94729 3.95925 3.98178 3.99114 4.00012 4.00718 4.01450 4.02180 4.03095 4.04761 4.06315 4.07246 4.08583 4.11123 4.12320 4.13437 4.15761 4.16568 4.18375 4.19316 4.20065 4.20393 4.21369 4.22496 4.22595 4.23337 4.24280 4.25749 4.27140 4.27405 4.28037 4.28659 4.30513 4.30997 4.31910 4.32276 4.33708 4.34006 4.34559 4.35066 4.35641 4.36016 4.36461 4.37633 4.38171 4.38554 4.38913 4.39400 4.40030 4.40448 4.40959 4.42131 4.42914 4.44174 4.44269 4.44811 4.45598 4.46189 4.46461 4.47587 4.48647 4.49339 4.49932 4.50071 4.51010 4.51964 4.52340 4.52778 4.54154 4.54315 4.55719 4.55949 4.56360 4.57035 4.57753 4.58467 4.59456 4.60176 4.61280 4.62237 4.62621 4.63021 4.64238 4.64561 4.66149 4.66871 4.70397 4.71219 4.73065 4.74506 4.75654 4.76669 4.77168 4.77768 4.79135 4.81737 4.82426 4.84066 4.85050 4.85988 4.87069 4.89643 4.90893 4.93671 4.94915 4.95595 4.99226 5.00116 5.02018 5.04814 5.07846 5.09468 5.13632 5.17483 5.18536 5.19804 5.23012 5.25730 5.26122 5.32334 5.32825 5.35236 5.38125 5.41161 5.43572 5.45198 5.46691 5.48679 5.50558 5.52379 5.55056 5.57647 5.59584 5.60591 5.61239 5.62032 5.63150 5.64835 5.67504 5.69581 5.71933 5.74699 5.77179 5.77445 5.79530 5.81217 5.81920 5.82486 5.85626 5.86150 5.89138 5.90702 5.91849 5.92282 5.94487 5.94713 5.95852 5.98041 5.99635 5.99695 6.01202 6.01908 6.11209 6.14013 6.21306 6.23583 6.27095 6.33091 6.45937 6.49968 6.59612 6.65126 6.68064 6.75732 6.79871 6.85999 6.92110 6.96549 7.06846 7.08717 7.09749 7.10461 7.11007 7.11636 7.13517 7.14062 7.16260 7.17191 7.17994 7.20161 7.20235 7.20568 7.22386 7.22981 7.25759 7.26036 7.27174 7.28276 7.29198 7.30513 7.31436 7.31695 7.32582 7.32795 7.33627 7.34016 7.35525 7.36390 7.37474 7.38181 7.38847 7.41241 7.43457 7.44505 7.44894 7.45500 7.45919 7.46415 7.47254 7.47693 7.49911 7.51039 7.51436 7.53740 7.56292 7.56949 7.58117 7.59771 7.60994 7.62419 7.62620 7.63451 7.64365 7.64719 7.65520 7.67367 7.69341 7.70101 7.70605 7.71313 7.72241 7.73221 7.75520 7.78916 7.80884 7.82027 7.86486 7.87014 7.88211 7.88813 7.91768 7.93324 7.95171 7.95486 7.95571 7.96564 7.97180 7.97604 7.98099 8.02079 8.02302 8.03172 8.05228 8.07153 8.10482 8.10891 8.12412 8.13481 8.14469 8.16831 8.19095 8.22830 8.24214 8.26750 8.28664 8.29515 8.29991 8.31357 8.34578 8.38022 8.42398 8.46631 8.47356 8.50435 8.51633 8.56734 8.60078 8.61805 8.70126 8.71423 8.72000 8.74110 8.74806 8.76879 8.78520 8.78828 8.80125 8.87094 8.90014 8.91830 8.97108 9.04265 9.09400 9.38469 9.39649 10.20795 10.21173 10.88541 10.89328 11.19316 14.40215 14.44281 14.47136 14.48187 14.49743 14.50673 14.58844 14.62881 14.68022 14.80649 14.97738 15.03325 15.10871 15.11727 15.24176 23.97511 24.09703 24.11496 24.35155 24.47098 24.58293 24.60733 24.65735 24.76309 24.96491 24.97344 24.98194 24.99250 25.13200 25.24950 25.38775 25.39640 25.40465 25.41424 25.70811 25.80428 25.81099 37.00979 48.14887 48.23522 50.26556 50.29215 50.48539 289.79789 289.84575 289.91908 290.01454 290.23877 290.418881020 .992501021 .10314 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 -0.053646 -0.086538 -0.309199 -0.815476 -0.853538 -1.195459 -0.064774 0.662415 -0.575862 -0.622078 -0.454753 0.009226 0.782815 -0.378339 0.486506 0.951164 0.728132 -0.524861 -0.720098 0.354458 -0.074728 -0.319945 0.324827 -0.004184 -0.369838 0.257011 -0.091989 -0.478973 0.251180 0.156365 0.180022 0.282850 0.162412 0.155071 0.166792 0.161582 0.174574 0.186612 0.256738 0.164548 0.158996 0.162633 0.169078 0.163602 0.173686 0.157940 0.153043 -0.00000 3.0724 -2.6418 0.3205 4.0646 -206.7814 -219.7106 -166.9531 24.2265 21.8395 -2.8702 -8.9664 -21.8956 30.8619 24.2265 21.8395 -2.8702 310.2763 -142.6432 -56.1120 167.7246 -73.3377 -70.7609 18.8607 -22.4403 -39.1205 36.9903 -9764.3434 -5614.7665 -3093.3040 339.8397 90.8789 229.3835 132.4795 -45.1002 -22.1186 -2591.7310 -1906.3623 -1277.2063 -92.9932 80.7687 38.7486 (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A) (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(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-CIBELES02 VALENTIN 2023-05-21T00:00:00.000 0 Single Point Deltamethrin-trans CONF41 water 0 1 Version=EM64L-G16RevC.01 State=1-A HF=-6278.8878594 RMSD=5.198e-09 Dipole=-1.350335,-0.4446428,0.7322154 Quadrupole=5.796732,-0.2702532,-5.5264788,-17.8042265,25.3885745,4.1111994 PG=C01 [X(C22H19Br2N1O3)] 0 -1.0578678564 -0.4846574823 2.3512532354 0 -3.2714744268 1.6963949037 3.1878326305 0 2.066771978 1.1011829502 -0.760917721 0 2.6129172206 3.2774242181 -0.9754825942 0 1.4336597359 -3.7863857926 -1.5618604256 0 4.0244966378 1.2084437164 -3.5497880687 0 -0.7403993868 2.150297608 -1.5873632305 0 -0.6566728003 1.5933207479 -0.1840503892 0 0.3272190937 2.6875928722 -0.6233769858 0 -0.3489834211 1.2323530133 -2.7292734395 0 -1.8383717546 3.1272734481 -1.9610640141 0 -1.6477439859 1.9091089073 0.8560191932 0 1.7669194323 2.4198092664 -0.7995733614 0 -1.9321848069 1.1647395324 1.9242542561 0 3.4217535163 0.6833994225 -1.0477423944 0 3.4674102837 -0.8091925108 -0.7924014102 0 3.7514209133 0.9963634152 -2.448709858 0 2.4668296123 -1.6033612301 -1.3518788324 0 4.4566513884 -1.371191027 0.0104626621 0 2.4302004561 -2.9604135026 -1.0600351376 0 4.4326465772 -2.7471523362 0.2531244762 0 3.4184138328 -3.5459781624 -0.2683192158 0 0.1977963793 -3.198334459 -1.858080214 0 -0.5188747376 -2.5292826122 -0.8674741601 0 -0.3017602711 -3.3314435793 -3.1471844437 0 -1.7536523792 -1.9703963633 -1.1841958645 0 -1.5476328466 -2.7778835264 -3.450502147 0 -2.2718246348 -2.0932467033 -2.4752198211 0 -0.2170287352 0.6064560397 -0.1259103895 0 0.1445191398 3.6915169648 -0.2613738465 0 -1.235907911 0.7038067388 -3.0887777041 0 0.387771537 0.4880498721 -2.4350171682 0 0.0597177317 1.8161451101 -3.5595033145 0 -1.5415814933 3.6890734936 -2.851245184 0 -2.0563480191 3.8460399935 -1.1700412569 0 -2.7576032953 2.5819237692 -2.1960842987 0 -2.2011762809 2.8360449201 0.7508336099 0 4.123863548 1.2179761609 -0.4053562199 0 1.7098916206 -1.1604150036 -1.9832045465 0 5.2273136138 -0.7464468932 0.4460328618 0 5.1976873293 -3.1968586797 0.8749448536 0 3.3752698367 -4.6081701655 -0.059882803 0 -0.0979334279 -2.4370827312 0.1256574015 0 0.2826821904 -3.8522380202 -3.8960393534 0 -2.3104424979 -1.436934242 -0.4224120947 0 -1.9433535939 -2.8746850075 -4.4549668607 0 -3.2318896596 -1.6536230393 -2.718704176