Gaussian 16 GINC-BELVIS18 VALENTIN Optimization Permethrin-cis/ CONF22 gas EM64L-G16RevC.01 12-May-2023 Gaussian 16 3-Jul-2019 EM64L-G16RevC.01 46 46 102 102 708 (5D, 7F) 6-311+G(d,p) 132 132 C1[X(C21H20Cl2O3)] C1[X(C21H20Cl2O3)] RB3LYP 6-311+G(d,p) FOpt #P B3LYP 6-311+G(d,p) EmpiricalDispersion=gd3 opt freq 371.1288999999997 0 1 AuxInfo=1/0/N:6;7;8;9;10;11;12;13;14;15;16;17;18;19;20;21;22;23;24;25;26;1;2;3;4;5;27;28;29;30;31;32;33;34;35;36;37;38;39;40;41;42;43;44;45;46/rA:46nCl0Cl0O0O0O0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:-3.8597,-.994,-1.0259;-1.8353,-1.2068,-3.0746;1.1381,2.4663,1.3088;.5089,2.7038,-.8195;2.5846,-2.3369,.3177;-2.401,2.693,.2387;-2.0565,1.2339,.1732;-1.12,2.2109,.876;-3.4909,3.087,1.2082;-2.4054,3.5236,-1.0208;-1.6692,.57,-1.082;.2263,2.4939,.3302;-2.3671,-.4035,-1.6512;2.502,2.5464,.9076;2.9579,1.3096,.182;2.5233,.0586,.6063;3.8362,1.4112,-.8858;2.961,-1.0827,-.0509;4.2873,.2621,-1.5195;3.8508,-.9859,-1.1145;1.4259,-2.5011,1.0284;.1959,-2.2577,.4322;1.5042,-2.9544,2.3352;-.9637,-2.4739,1.1592;.3359,-3.174,3.0513;-.8984,-2.9306,2.4688;-2.603,.597,.8605;-1.1358,2.1351,1.9568;-3.4973,2.459,2.1;-3.3641,4.1215,1.5315;-4.4713,3.0025,.737;-2.2402,4.5755,-.7832;-1.654,3.2277,-1.7452;-3.3829,3.4412,-1.4986;-.7581,.8726,-1.5817;2.6767,3.4344,.2961;3.0527,2.6681,1.8414;1.8423,-.025,1.4441;4.157,2.3849,-1.2335;4.9701,.3407,-2.3551;4.185,-1.8845,-1.616;.1462,-1.9162,-.594;2.4727,-3.1398,2.7807;-1.9241,-2.2956,.694;.3947,-3.5325,4.0704;-1.8074,-3.1034,3.0291; g16 /usr/local/gaussian/gaussian16/g16/l1.exe "/temporal/valentin/opt-b3lyp-pople.com-5084667/Gau-18198.inp" -scrdir="/temporal/valentin/opt-b3lyp-pople.com-5084667/" chk=/home/valentin/Almacen/Insecticides/G3/Permethrin-cis/gaussian/gas/CONF22/o #P B3LYP 6-311+G(d,p) EmpiricalDispersion=gd3 opt freq 1/18=20,19=15,26=3,38=1/1,3 2/9=110,12=2,17=6,18=5,40=1/2 3/5=4,6=6,7=111,11=2,25=1,30=1,71=1,74=-5,124=31/1,2,3 4//1 5/5=2,38=5/2 6/7=2,8=2,9=2,10=2,28=1/1 7//1,2,3,16 1/18=20,19=15,26=3/3(2) 2/9=110/2 99//99 2/9=110/2 3/5=4,6=6,7=111,11=2,25=1,30=1,71=1,74=-5,124=31/1,2,3 4/5=5,16=3,69=1/1 5/5=2,38=5/2 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 Permethrin-cis/ CONF22 gas 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 35 35 16 16 16 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 1 34.9688527 34.9688527 15.9949146 15.9949146 15.9949146 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 3 3 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 (Enter /usr/local/gaussian/gaussian16/g16/l101.exe) Berny optimization. R1 R2 R3 R4 R5 R6 R7 R8 R9 R10 R11 R12 R13 R14 R15 R16 R17 R18 R19 R20 R21 R22 R23 R24 R25 R26 R27 R28 R29 R30 R31 R32 R33 R34 R35 R36 R37 R38 R39 R40 R41 R42 R43 R44 R45 R46 R47 R48 1 2 3 3 4 5 5 6 6 6 6 7 7 7 8 8 9 9 9 10 10 10 11 11 14 14 14 15 15 16 16 17 17 18 19 19 20 21 21 22 22 23 23 24 24 25 25 26 13 13 12 14 12 18 21 7 8 9 10 8 11 27 12 28 29 30 31 32 33 34 13 35 15 36 37 16 17 18 38 19 39 20 20 40 41 22 23 24 42 25 43 26 44 26 45 46 1.7226 1.7187 1.3378 1.424 1.2024 1.3603 1.3692 1.5006 1.5098 1.511 1.5087 1.5249 1.4718 1.0847 1.48 1.0836 1.0908 1.0912 1.091 1.091 1.0848 1.0911 1.3262 1.0822 1.5047 1.0923 1.0908 1.3907 1.3863 1.3878 1.0828 1.3876 1.0825 1.3901 1.3828 1.0819 1.0819 1.3884 1.3853 1.3856 1.0827 1.3878 1.0821 1.3884 1.0818 1.3863 1.082 1.0817 estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|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 12 18 7 7 8 8 9 6 6 8 8 11 6 6 7 7 12 6 6 6 29 29 30 6 6 6 32 32 33 7 7 13 3 3 4 1 1 2 3 3 3 15 15 36 14 14 16 15 15 18 15 15 19 5 5 16 17 17 20 18 18 19 5 5 22 21 21 24 21 21 25 22 22 26 23 23 26 24 24 25 3 5 6 6 6 6 6 7 7 7 7 7 8 8 8 8 8 9 9 9 9 9 9 10 10 10 10 10 10 11 11 11 12 12 12 13 13 13 14 14 14 14 14 14 15 15 15 16 16 16 17 17 17 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 14 21 9 10 9 10 10 11 27 11 27 27 12 28 12 28 28 29 30 31 30 31 31 32 33 34 33 34 34 13 35 35 4 8 8 2 11 11 15 36 37 36 37 37 16 17 17 18 38 38 19 39 39 16 20 20 20 40 40 19 41 41 22 23 23 24 42 42 25 43 43 26 44 44 26 45 45 25 46 46 116.463 119.0382 116.5603 119.9696 115.113 122.0497 112.9542 122.4248 115.3127 121.3613 113.1745 114.0851 123.7146 115.5307 120.7433 113.9512 113.2309 112.2526 110.7036 110.5415 107.7106 107.6557 107.8031 110.3983 113.9124 109.0625 107.6683 107.6844 107.9079 123.9629 119.2885 116.7457 122.877 110.2623 126.8523 114.1114 123.4916 122.3885 112.3208 110.8927 104.4016 110.4749 110.5806 107.9308 119.8414 120.2091 119.9287 119.783 120.1321 120.0844 119.8035 120.0744 120.1156 122.858 116.6566 120.4631 120.7332 119.8512 119.3999 119.2713 119.6396 121.0876 120.3868 118.7545 120.8264 119.2603 120.1927 120.5415 119.4039 119.6726 120.9217 120.4491 119.4434 120.1031 120.3247 119.5189 120.1557 119.7334 120.1025 120.1621 estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2 D1 D2 D3 D4 D5 D6 D7 D8 D9 D10 D11 D12 D13 D14 D15 D16 D17 D18 D19 D20 D21 D22 D23 D24 D25 D26 D27 D28 D29 D30 D31 D32 D33 D34 D35 D36 D37 D38 D39 D40 D41 D42 D43 D44 D45 D46 D47 D48 D49 D50 D51 D52 D53 D54 D55 D56 D57 D58 D59 D60 D61 D62 D63 D64 D65 D66 D67 D68 D69 D70 D71 D72 D73 D74 D75 D76 D77 D78 D79 D80 D81 D82 D83 D84 D85 D86 D87 D88 D89 D90 D91 D92 D93 D94 D95 D96 D97 D98 D99 D100 D101 D102 D103 D104 D105 D106 D107 D108 D109 14 14 12 12 12 21 21 18 18 9 9 10 10 9 9 10 10 7 7 7 8 8 8 10 10 10 7 7 7 8 8 8 9 9 9 11 11 27 27 6 6 8 8 27 27 6 6 7 7 28 28 7 7 35 35 3 3 36 36 37 37 14 14 17 17 14 14 16 16 15 15 38 38 15 15 39 39 5 5 16 16 17 17 40 40 5 5 23 23 5 5 22 22 21 21 42 42 21 21 43 43 22 22 44 44 23 23 45 45 3 3 3 3 3 5 5 5 5 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 7 7 7 7 7 7 7 7 7 7 8 8 8 8 8 8 11 11 11 11 14 14 14 14 14 14 15 15 15 15 15 15 15 15 16 16 16 16 17 17 17 17 18 18 18 18 19 19 19 19 21 21 21 21 21 21 21 21 22 22 22 22 23 23 23 23 24 24 24 24 25 25 25 25 12 12 14 14 14 18 18 21 21 7 7 7 7 8 8 8 8 9 9 9 9 9 9 9 9 9 10 10 10 10 10 10 10 10 10 8 8 8 8 11 11 11 11 11 11 12 12 12 12 12 12 13 13 13 13 15 15 15 15 15 15 16 16 16 16 17 17 17 17 18 18 18 18 19 19 19 19 20 20 20 20 20 20 20 20 22 22 22 22 23 23 23 23 24 24 24 24 25 25 25 25 26 26 26 26 26 26 26 26 4 8 15 36 37 16 20 22 23 11 27 11 27 12 28 12 28 29 30 31 29 30 31 29 30 31 32 33 34 32 33 34 32 33 34 12 28 12 28 13 35 13 35 13 35 3 4 3 4 3 4 1 2 1 2 16 17 16 17 16 17 18 38 18 38 19 39 19 39 5 20 5 20 20 40 20 40 19 41 19 41 18 41 18 41 24 42 24 42 25 43 25 43 26 44 26 44 26 45 26 45 25 46 25 46 24 46 24 46 -7.0261 171.9843 -68.8685 55.2881 171.2802 22.7178 -158.9951 68.3406 -113.7084 144.5278 -2.115 2.1955 -144.4473 -143.7383 3.8502 -0.4544 147.1342 33.2758 153.6749 -86.9409 -35.2044 85.1946 -155.4211 178.1835 -61.4174 57.9668 -155.3714 -34.0997 86.5035 -82.9519 38.3198 158.923 61.0409 -177.6874 -57.0842 -1.5815 -141.6115 139.7491 -0.2808 -116.4719 64.1741 171.5499 -7.804 30.54 -148.814 154.0063 -27.0323 -134.5281 44.4333 5.7643 -175.2744 2.1362 -176.7422 -178.4948 2.6269 -38.8548 142.8068 -163.2429 18.4187 77.3353 -101.0031 -179.0018 1.2634 -0.6587 179.6064 177.7723 -3.1565 -0.5646 178.5066 179.4552 1.2312 -0.8099 -179.0338 1.2392 179.7906 -177.8316 0.7199 -178.8986 1.5349 -0.5679 179.8656 -0.6715 178.8885 -179.2295 0.3305 177.8747 -1.2775 -0.0334 -179.1856 -177.5728 1.9387 0.3689 179.8804 -0.0917 -179.3313 179.0574 -0.1822 -0.5828 179.7149 179.912 0.2097 -0.1213 -179.6143 179.1133 -0.3797 0.4613 179.9541 -179.8383 -0.3456 estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|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 734 A 708 A 1130 734 2677.7309650953 46 1.00e+00 60 F IExCor= 402 DFT=T Ex+Corr=B3LYP ExCW=0 ScaHFX= 0.200000 ScaDFX= 0.800000 0.720000 1.000000 0.810000 ScalE2= 1.000000 1.000000 IRadAn= 5 IRanWt= -1 IRanGd= 0 ICorTp=0 IEmpDi=131 NPDir=0 NMtPBC= 1 NCelOv= 1 NCel= 1 NClECP= 1 NCelD= 1 NCelK= 1 NCelE2= 1 NClLst= 1 CellRange= 0.0. One-electron integrals computed using PRISM. One-electron integral symmetry used in STVInt NBasis= 708 RedAO= T EigKep= 1.35D-06 NBF= 708 NBsUse= 706 1.00D-06 EigRej= 9.27D-07 NBFU= 706 Berny optimization. local minimum Step number 23 out of a maximum of 247 All quantities printed in internal units (Hartrees-Bohrs-Radians) 0.00094 0.00139 0.00345 0.00614 0.00898 0.01103 0.01578 0.01877 0.01930 0.01946 0.02042 0.02110 0.02219 0.02241 0.02246 0.02251 0.02256 0.02258 0.02260 0.02262 0.02266 0.02269 0.02273 0.02279 0.02286 0.02294 0.02339 0.02495 0.02683 0.02956 0.03149 0.03346 0.03582 0.04135 0.04638 0.05572 0.05616 0.05660 0.05811 0.05978 0.06448 0.07034 0.09425 0.10092 0.11532 0.12134 0.12847 0.15623 0.15727 0.15908 0.15973 0.15984 0.15996 0.15998 0.16000 0.16001 0.16002 0.16003 0.16013 0.16017 0.16030 0.16067 0.16096 0.16728 0.18457 0.18561 0.19447 0.21855 0.21886 0.22008 0.22313 0.22739 0.23436 0.23675 0.23852 0.24034 0.24391 0.24436 0.24979 0.25146 0.26416 0.26714 0.27360 0.29178 0.30494 0.31271 0.31465 0.31949 0.32689 0.33293 0.33879 0.34562 0.34676 0.34688 0.34701 0.34717 0.34746 0.34828 0.35403 0.35470 0.35553 0.35568 0.35650 0.35695 0.35723 0.35737 0.35761 0.35761 0.35777 0.35807 0.35834 0.36102 0.37803 0.41601 0.43274 0.43426 0.43469 0.44264 0.47258 0.47529 0.47810 0.47860 0.47936 0.48068 0.48272 0.49529 0.51361 0.53450 0.58367 0.61779 1.00148 1.05650 -9.97500555e-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 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 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 3.31129 3.29848 2.56255 2.73473 2.28814 2.60517 2.61716 2.86076 2.88523 2.86978 2.86602 2.91134 2.78788 2.04859 2.80123 2.04575 2.06541 2.06811 2.06766 2.06760 2.05462 2.06746 2.51609 2.04676 2.85710 2.06219 2.06216 2.63566 2.63610 2.63260 2.04463 2.63502 2.04911 2.63414 2.62908 2.04852 2.04626 2.63646 2.63003 2.63077 2.04672 2.63428 2.04679 2.63667 2.04471 2.63438 2.04874 2.04801 2.02527 2.09226 2.03320 2.09399 2.01337 2.11159 1.98079 2.13901 2.00478 2.12045 1.97335 1.99365 2.14322 2.02562 2.11191 2.00409 1.97088 1.95469 1.92781 1.92294 1.88615 1.88480 1.88542 1.91981 1.97055 1.90716 1.88416 1.88389 1.89615 2.17228 2.06784 2.04306 2.14440 1.92340 2.21533 1.98785 2.15923 2.13610 1.95800 1.91354 1.80973 1.93019 1.94140 1.90715 2.09207 2.09879 2.09218 2.08981 2.09753 2.09557 2.09154 2.09550 2.09596 2.13753 2.03725 2.10740 2.10575 2.09170 2.08543 2.07914 2.07819 2.12580 2.12534 2.04583 2.11032 2.07910 2.09620 2.10788 2.08434 2.07542 2.12342 2.10452 2.08294 2.09562 2.09961 2.08587 2.09770 2.08845 2.09589 2.09883 -0.09370 3.03690 -1.27974 0.87198 2.90685 0.53821 -2.65107 0.87005 -2.33358 2.51388 -0.04054 0.01300 -2.54141 -2.50070 0.05083 -0.00408 2.54745 0.58355 2.68684 -1.51468 -0.61315 1.49013 -2.71138 3.12520 -1.05470 1.02697 -2.75419 -0.64836 1.46384 -1.49739 0.60845 2.72065 1.01024 3.11607 -1.05492 -0.00247 -2.46582 2.46928 0.00593 -2.09015 1.04745 2.93229 -0.21330 0.46763 -2.67795 2.54181 -0.61134 -2.50118 0.62885 -0.02613 3.10391 0.02857 -3.10884 -3.10908 0.03670 -0.55575 2.60426 -2.69808 0.46193 1.46248 -1.66069 3.13730 0.02087 -0.02264 -3.13907 3.11782 -0.04376 -0.00535 3.11625 3.12561 0.03358 -0.04111 -3.13315 0.02304 3.13781 -3.09855 0.01621 -3.11084 0.04205 -0.01606 3.13684 -0.01236 3.11761 -3.12722 0.00275 3.08402 -0.05750 0.00674 -3.13478 -3.08123 0.05623 -0.00111 3.13634 -0.00649 -3.13201 3.13503 0.00951 -0.00485 3.13903 3.14100 0.00170 0.00065 -3.13459 3.12605 -0.00918 0.00508 3.14030 -3.13881 -0.00359 -0.00001 -0.00002 -0.00000 0.00001 -0.00001 0.00000 -0.00000 -0.00001 -0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00001 -0.00000 0.00000 0.00000 0.00000 -0.00000 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 0.00001 -0.00000 0.00001 -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 -0.00001 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 -0.00001 0.00001 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 0.00001 -0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00001 0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00001 -0.00001 0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00004 -0.00002 0.00004 0.00005 -0.00002 0.00003 0.00003 -0.00004 0.00003 -0.00001 -0.00001 -0.00002 0.00002 0.00000 -0.00001 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00001 -0.00000 -0.00001 -0.00001 0.00000 0.00001 0.00000 -0.00001 0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00001 -0.00001 0.00000 0.00001 -0.00000 0.00001 -0.00000 -0.00001 -0.00000 0.00000 -0.00000 -0.00006 0.00003 0.00001 -0.00001 -0.00004 0.00001 0.00004 -0.00001 0.00003 -0.00003 -0.00003 -0.00003 -0.00001 0.00004 -0.00000 0.00001 0.00000 0.00001 0.00002 -0.00001 -0.00001 -0.00001 0.00002 0.00001 0.00001 -0.00001 -0.00001 -0.00002 -0.00002 0.00001 0.00001 0.00001 -0.00001 0.00001 0.00000 0.00000 -0.00001 -0.00001 -0.00001 -0.00001 0.00001 0.00002 -0.00000 0.00002 -0.00000 -0.00001 0.00000 -0.00000 0.00000 0.00001 -0.00000 -0.00001 -0.00003 0.00002 0.00001 -0.00001 -0.00000 0.00001 -0.00000 0.00000 0.00000 -0.00001 0.00000 0.00001 -0.00001 0.00001 0.00000 0.00000 0.00000 -0.00001 0.00001 0.00001 -0.00001 -0.00001 0.00000 0.00000 0.00000 -0.00001 0.00001 -0.00008 -0.00003 0.00004 0.00004 0.00003 0.00031 0.00031 -0.00007 -0.00006 -0.00001 -0.00000 -0.00008 -0.00008 0.00009 0.00004 0.00003 -0.00002 -0.00013 -0.00013 -0.00013 -0.00013 -0.00013 -0.00013 -0.00006 -0.00006 -0.00006 0.00031 0.00032 0.00031 0.00029 0.00030 0.00029 0.00023 0.00024 0.00023 0.00012 0.00003 0.00005 -0.00003 0.00010 0.00013 0.00004 0.00007 0.00011 0.00013 -0.00031 -0.00025 -0.00033 -0.00027 -0.00025 -0.00019 -0.00002 0.00000 -0.00004 -0.00002 0.00002 0.00000 0.00003 0.00001 0.00001 -0.00000 -0.00003 -0.00003 -0.00001 -0.00001 0.00002 0.00003 0.00000 0.00001 0.00001 0.00001 0.00001 0.00001 0.00001 0.00001 -0.00000 -0.00001 0.00000 0.00001 -0.00000 0.00001 -0.00001 -0.00002 -0.00001 -0.00002 -0.00000 -0.00001 -0.00001 -0.00002 0.00000 -0.00000 0.00001 0.00001 0.00001 0.00000 0.00001 0.00001 -0.00000 0.00000 -0.00000 0.00000 0.00000 0.00001 0.00000 0.00001 -0.00000 -0.00001 -0.00001 -0.00001 -0.00002 -0.00004 -0.00001 0.00001 -0.00000 -0.00001 -0.00002 -0.00002 -0.00000 0.00002 -0.00001 -0.00000 -0.00001 0.00001 0.00001 -0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 0.00002 0.00000 -0.00001 0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 0.00001 0.00001 -0.00000 -0.00001 0.00000 -0.00001 -0.00000 0.00000 0.00000 -0.00000 -0.00005 0.00003 -0.00001 0.00001 -0.00000 0.00003 -0.00002 0.00003 -0.00000 -0.00000 -0.00003 0.00000 0.00002 0.00001 -0.00008 0.00003 0.00002 0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00001 0.00000 -0.00001 0.00001 -0.00000 -0.00001 0.00001 -0.00001 -0.00000 -0.00002 0.00004 -0.00002 0.00002 -0.00001 -0.00001 -0.00001 -0.00003 0.00000 0.00003 -0.00000 0.00000 -0.00000 0.00001 -0.00001 0.00001 -0.00001 -0.00001 -0.00000 0.00000 -0.00000 -0.00001 0.00002 -0.00001 0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 0.00004 -0.00002 -0.00002 0.00001 0.00001 -0.00001 0.00001 0.00000 -0.00001 0.00001 -0.00000 -0.00000 0.00000 -0.00001 0.00001 -0.00001 0.00000 0.00001 -0.00015 -0.00009 -0.00007 -0.00006 -0.00007 0.00010 0.00011 -0.00006 -0.00003 0.00001 -0.00004 0.00005 0.00001 -0.00013 -0.00003 -0.00011 -0.00002 0.00010 0.00010 0.00010 0.00010 0.00009 0.00010 0.00006 0.00006 0.00006 0.00003 0.00004 0.00002 0.00005 0.00007 0.00005 0.00007 0.00009 0.00007 -0.00001 0.00004 -0.00006 -0.00002 -0.00003 -0.00004 -0.00005 -0.00005 0.00002 0.00001 0.00006 0.00012 0.00001 0.00008 -0.00003 0.00003 -0.00000 -0.00003 0.00000 -0.00003 0.00005 0.00001 0.00007 0.00003 0.00005 0.00001 -0.00005 -0.00002 -0.00001 0.00003 0.00004 0.00003 -0.00000 -0.00001 0.00002 0.00001 -0.00001 -0.00003 0.00001 -0.00000 0.00002 0.00001 -0.00001 -0.00002 0.00000 -0.00000 -0.00001 -0.00001 0.00000 0.00000 0.00004 0.00006 0.00002 0.00003 -0.00005 -0.00004 -0.00002 -0.00001 -0.00000 -0.00003 -0.00002 -0.00004 0.00001 0.00001 -0.00000 -0.00000 -0.00001 -0.00001 0.00002 0.00002 0.00000 0.00001 0.00001 0.00001 -0.00006 -0.00006 0.00003 0.00006 -0.00002 0.00003 0.00002 -0.00007 0.00003 0.00000 -0.00002 -0.00002 0.00001 0.00001 -0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 0.00003 -0.00000 -0.00003 -0.00000 0.00000 0.00001 0.00001 -0.00001 0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00001 0.00000 0.00000 -0.00000 -0.00001 -0.00000 0.00000 -0.00005 -0.00003 0.00002 0.00001 -0.00001 -0.00000 -0.00001 0.00007 -0.00001 0.00002 -0.00006 -0.00003 -0.00002 0.00000 -0.00004 0.00002 0.00003 0.00001 0.00001 0.00002 -0.00001 -0.00001 -0.00001 0.00003 0.00001 -0.00000 0.00000 -0.00001 -0.00003 -0.00001 0.00000 0.00000 -0.00002 0.00003 -0.00001 0.00003 -0.00001 -0.00002 -0.00002 -0.00004 -0.00001 0.00004 0.00001 -0.00000 0.00001 0.00001 -0.00002 0.00001 -0.00001 -0.00000 0.00001 -0.00000 -0.00001 -0.00004 0.00004 0.00000 -0.00000 -0.00001 0.00001 -0.00000 0.00001 -0.00000 0.00003 -0.00002 -0.00001 -0.00001 0.00002 -0.00001 0.00001 0.00000 -0.00002 0.00001 0.00000 -0.00001 -0.00001 -0.00001 0.00001 -0.00001 -0.00001 0.00002 -0.00023 -0.00012 -0.00003 -0.00002 -0.00004 0.00041 0.00042 -0.00013 -0.00009 0.00000 -0.00004 -0.00002 -0.00007 -0.00003 0.00000 -0.00008 -0.00004 -0.00003 -0.00003 -0.00003 -0.00003 -0.00004 -0.00003 0.00001 0.00000 0.00000 0.00033 0.00036 0.00033 0.00034 0.00037 0.00034 0.00030 0.00033 0.00030 0.00011 0.00007 -0.00001 -0.00005 0.00007 0.00009 -0.00001 0.00001 0.00012 0.00014 -0.00025 -0.00013 -0.00031 -0.00019 -0.00028 -0.00016 -0.00002 -0.00003 -0.00004 -0.00005 0.00007 0.00001 0.00010 0.00004 0.00006 0.00000 -0.00008 -0.00004 -0.00002 0.00002 0.00006 0.00006 -0.00000 0.00000 0.00003 0.00002 -0.00000 -0.00002 0.00002 0.00000 0.00002 0.00000 -0.00001 -0.00000 -0.00000 0.00001 -0.00001 -0.00003 -0.00000 -0.00001 0.00004 0.00005 0.00000 0.00001 -0.00005 -0.00004 -0.00001 0.00000 0.00001 -0.00002 -0.00000 -0.00003 0.00001 0.00001 -0.00000 -0.00000 -0.00001 -0.00000 0.00002 0.00003 -0.00000 -0.00000 -0.00000 -0.00001 3.31123 3.29842 2.56258 2.73479 2.28812 2.60520 2.61718 2.86069 2.88525 2.86978 2.86601 2.91133 2.78790 2.04860 2.80123 2.04574 2.06541 2.06812 2.06766 2.06759 2.05463 2.06746 2.51612 2.04676 2.85707 2.06219 2.06217 2.63567 2.63611 2.63259 2.04464 2.63502 2.04911 2.63414 2.62908 2.04852 2.04626 2.63646 2.63003 2.63077 2.04672 2.63429 2.04679 2.63667 2.04470 2.63437 2.04874 2.04801 2.02522 2.09223 2.03322 2.09401 2.01336 2.11158 1.98078 2.13908 2.00477 2.12047 1.97329 1.99362 2.14320 2.02562 2.11187 2.00411 1.97091 1.95470 1.92782 1.92295 1.88614 1.88478 1.88541 1.91984 1.97057 1.90716 1.88416 1.88388 1.89612 2.17227 2.06784 2.04306 2.14438 1.92343 2.21531 1.98787 2.15922 2.13608 1.95799 1.91350 1.80973 1.93023 1.94141 1.90715 2.09208 2.09880 2.09216 2.08982 2.09752 2.09557 2.09155 2.09550 2.09595 2.13749 2.03729 2.10741 2.10575 2.09169 2.08544 2.07913 2.07820 2.12580 2.12537 2.04581 2.11032 2.07910 2.09622 2.10787 2.08435 2.07543 2.12340 2.10453 2.08294 2.09560 2.09961 2.08587 2.09771 2.08844 2.09588 2.09885 -0.09393 3.03678 -1.27977 0.87196 2.90682 0.53862 -2.65065 0.86992 -2.33367 2.51388 -0.04058 0.01298 -2.54148 -2.50073 0.05084 -0.00416 2.54741 0.58353 2.68681 -1.51470 -0.61318 1.49010 -2.71141 3.12521 -1.05470 1.02698 -2.75386 -0.64799 1.46417 -1.49705 0.60882 2.72098 1.01054 3.11640 -1.05462 -0.00236 -2.46575 2.46927 0.00588 -2.09008 1.04754 2.93228 -0.21328 0.46775 -2.67781 2.54156 -0.61147 -2.50150 0.62866 -0.02641 3.10375 0.02855 -3.10886 -3.10912 0.03665 -0.55568 2.60427 -2.69798 0.46197 1.46255 -1.66069 3.13723 0.02083 -0.02266 -3.13905 3.11788 -0.04370 -0.00535 3.11625 3.12565 0.03360 -0.04111 -3.13316 0.02306 3.13781 -3.09854 0.01622 -3.11085 0.04205 -0.01606 3.13684 -0.01237 3.11759 -3.12722 0.00274 3.08406 -0.05744 0.00674 -3.13477 -3.08128 0.05619 -0.00112 3.13635 -0.00648 -3.13203 3.13503 0.00947 -0.00484 3.13904 3.14100 0.00170 0.00064 -3.13459 3.12608 -0.00915 0.00508 3.14030 -3.13882 -0.00360 |Maximum Force|RMS Force|Maximum Displacement|RMS Displacement| 0.000021 0.000003 0.001328 0.000389 0.000450 0.000300 0.001800 0.001200 YES YES YES YES -9.852735e-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 1 2 3 3 4 5 5 6 6 6 6 7 7 7 8 8 9 9 9 10 10 10 11 11 14 14 14 15 15 16 16 17 17 18 19 19 20 21 21 22 22 23 23 24 24 25 25 26 13 13 12 14 12 18 21 7 8 9 10 8 11 27 12 28 29 30 31 32 33 34 13 35 15 36 37 16 17 18 38 19 39 20 20 40 41 22 23 24 42 25 43 26 44 26 45 46 1.7523 1.7455 1.356 1.4472 1.2108 1.3786 1.3849 1.5138 1.5268 1.5186 1.5166 1.5406 1.4753 1.0841 1.4823 1.0826 1.093 1.0944 1.0942 1.0941 1.0873 1.0941 1.3315 1.0831 1.5119 1.0913 1.0913 1.3947 1.395 1.3931 1.082 1.3944 1.0843 1.3939 1.3912 1.084 1.0828 1.3952 1.3918 1.3921 1.0831 1.394 1.0831 1.3953 1.082 1.3941 1.0841 1.0838 -DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-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 12 18 7 7 8 8 9 6 6 8 8 11 6 6 7 7 12 6 6 6 29 29 30 6 6 6 32 32 33 7 7 13 3 3 4 1 1 2 3 3 3 15 15 36 14 14 16 15 15 18 15 15 19 5 5 16 17 17 20 18 18 19 5 5 22 21 21 24 21 21 25 22 22 26 23 23 26 24 24 25 3 5 6 6 6 6 6 7 7 7 7 7 8 8 8 8 8 9 9 9 9 9 9 10 10 10 10 10 10 11 11 11 12 12 12 13 13 13 14 14 14 14 14 14 15 15 15 16 16 16 17 17 17 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 14 21 9 10 9 10 10 11 27 11 27 27 12 28 12 28 28 29 30 31 30 31 31 32 33 34 33 34 34 13 35 35 4 8 8 2 11 11 15 36 37 36 37 37 16 17 17 18 38 38 19 39 39 16 20 20 20 40 40 19 41 41 22 23 23 24 42 42 25 43 43 26 44 44 26 45 45 25 46 46 116.0395 119.8779 116.4939 119.9768 115.3574 120.985 113.4909 122.5563 114.8655 121.4928 113.0646 114.2276 122.7974 116.0594 121.0033 114.8257 112.9228 111.9956 110.4553 110.1762 108.0685 107.9908 108.0268 109.9971 112.9044 109.2722 107.9545 107.939 108.6415 124.4625 118.4784 117.0586 122.8651 110.2026 126.9288 113.8952 123.7149 122.3895 112.1852 109.6376 103.69 110.5918 111.2339 109.2719 119.8669 120.2519 119.8728 119.7371 120.1797 120.0675 119.8366 120.0635 120.0899 122.4716 116.7259 120.7454 120.6508 119.8454 119.4861 119.1257 119.0717 121.7994 121.773 117.2172 120.9126 119.1239 120.1035 120.7726 119.4238 118.9128 121.663 120.5799 119.3436 120.0701 120.2989 119.5117 120.1893 119.6592 120.0857 120.2541 -DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0 D1 D2 D3 D4 D5 D6 D7 D8 D9 D10 D11 D12 D13 D14 D15 D16 D17 D18 D19 D20 D21 D22 D23 D24 D25 D26 D27 D28 D29 D30 D31 D32 D33 D34 D35 D36 D37 D38 D39 D40 D41 D42 D43 D44 D45 D46 D47 D48 D49 D50 D51 D52 D53 D54 D55 D56 D57 D58 D59 D60 D61 D62 D63 D64 D65 D66 D67 D68 D69 D70 D71 D72 D73 D74 D75 D76 D77 D78 D79 D80 D81 D82 D83 D84 D85 D86 D87 D88 D89 D90 D91 D92 D93 D94 D95 D96 D97 D98 D99 D100 D101 D102 D103 D104 D105 D106 D107 D108 14 14 12 12 12 21 21 18 18 9 9 10 10 9 9 10 10 7 7 7 8 8 8 10 10 10 7 7 7 8 8 8 9 9 9 11 11 27 27 6 6 8 8 27 27 6 6 7 7 28 28 7 7 35 35 3 3 36 36 37 37 14 14 17 17 14 14 16 16 15 15 38 38 15 15 39 39 5 5 16 16 17 17 40 40 5 5 23 23 5 5 22 22 21 21 42 42 21 21 43 43 22 22 44 44 23 23 45 3 3 3 3 3 5 5 5 5 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 7 7 7 7 7 7 7 7 7 7 8 8 8 8 8 8 11 11 11 11 14 14 14 14 14 14 15 15 15 15 15 15 15 15 16 16 16 16 17 17 17 17 18 18 18 18 19 19 19 19 21 21 21 21 21 21 21 21 22 22 22 22 23 23 23 23 24 24 24 24 25 25 25 12 12 14 14 14 18 18 21 21 7 7 7 7 8 8 8 8 9 9 9 9 9 9 9 9 9 10 10 10 10 10 10 10 10 10 8 8 8 8 11 11 11 11 11 11 12 12 12 12 12 12 13 13 13 13 15 15 15 15 15 15 16 16 16 16 17 17 17 17 18 18 18 18 19 19 19 19 20 20 20 20 20 20 20 20 22 22 22 22 23 23 23 23 24 24 24 24 25 25 25 25 26 26 26 26 26 26 26 4 8 15 36 37 16 20 22 23 11 27 11 27 12 28 12 28 29 30 31 29 30 31 29 30 31 32 33 34 32 33 34 32 33 34 12 28 12 28 13 35 13 35 13 35 3 4 3 4 3 4 1 2 1 2 16 17 16 17 16 17 18 38 18 38 19 39 19 39 5 20 5 20 20 40 20 40 19 41 19 41 18 41 18 41 24 42 24 42 25 43 25 43 26 44 26 44 26 45 26 45 25 46 25 46 24 46 24 -5.3685 174.0013 -73.3235 49.9607 166.5505 30.8371 -151.895 49.8504 -133.7043 144.0345 -2.3225 0.745 -145.612 -143.2794 2.9126 -0.2338 145.9583 33.4352 153.9445 -86.7845 -35.131 85.3783 -155.3507 179.0608 -60.4299 58.8411 -157.8035 -37.1481 83.8719 -85.7938 34.8616 155.8815 57.8823 178.5377 -60.4424 -0.1413 -141.281 141.4795 0.3398 -119.757 60.0143 168.0077 -12.221 26.7932 -153.4355 145.6351 -35.027 -143.3073 36.0305 -1.497 177.8408 1.6372 -178.1232 -178.1371 2.1025 -31.8423 149.2131 -154.5887 26.4667 83.794 -95.1506 179.7542 1.1959 -1.2972 -179.8555 178.638 -2.5075 -0.3066 178.548 179.0844 1.9238 -2.3556 -179.5162 1.3203 179.7833 -177.534 0.929 -178.2381 2.4094 -0.9199 179.7275 -0.7081 178.6261 -179.1766 0.1577 176.7014 -3.2942 0.3861 -179.6096 -176.5414 3.2216 -0.0636 179.6993 -0.3716 -179.4509 179.624 0.5447 -0.2777 179.8534 179.9661 0.0973 0.037 -179.5986 179.1096 -0.5259 0.2913 179.9262 -179.8408 -DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-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 -0.0560336705 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 371.1288999999997 AuxInfo=1/0/N:6;7;8;9;10;11;12;13;14;15;16;17;18;19;20;21;22;23;24;25;26;1;2;3;4;5;27;28;29;30;31;32;33;34;35;36;37;38;39;40;41;42;43;44;45;46/rA:46nCl0Cl0O0O0O0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:-3.8597,-.994,-1.0259;-1.8353,-1.2068,-3.0746;1.1381,2.4663,1.3088;.5089,2.7038,-.8195;2.5846,-2.3368,.3177;-2.401,2.693,.2387;-2.0565,1.2339,.1732;-1.12,2.2109,.876;-3.4909,3.087,1.2082;-2.4054,3.5236,-1.0208;-1.6692,.57,-1.082;.2263,2.4939,.3302;-2.3671,-.4035,-1.6512;2.502,2.5464,.9076;2.9579,1.3096,.182;2.5233,.0586,.6063;3.8362,1.4112,-.8858;2.961,-1.0827,-.0509;4.2873,.2622,-1.5195;3.8508,-.9859,-1.1145;1.4259,-2.501,1.0284;.1959,-2.2577,.4322;1.5042,-2.9544,2.3352;-.9637,-2.4739,1.1592;.3359,-3.174,3.0512;-.8984,-2.9306,2.4688;-2.603,.5971,.8605;-1.1358,2.1351,1.9568;-3.4972,2.459,2.1;-3.3641,4.1215,1.5315;-4.4713,3.0025,.737;-2.2402,4.5755,-.7832;-1.654,3.2277,-1.7452;-3.3829,3.4412,-1.4986;-.7582,.8725,-1.5817;2.6767,3.4344,.2961;3.0527,2.668,1.8414;1.8423,-.025,1.4441;4.1571,2.3849,-1.2335;4.9701,.3407,-2.3551;4.185,-1.8845,-1.616;.1462,-1.9162,-.594;2.4727,-3.1398,2.7807;-1.9241,-2.2956,.694;.3947,-3.5325,4.0704;-1.8074,-3.1034,3.0291; 0.000000 2.887979 0.000000 6.511682 6.445612 0.000000 5.727198 5.086563 2.232022 0.000000 6.718425 5.685098 5.113177 5.568708 0.000000 4.161850 5.148367 3.704290 3.096307 7.082515 0.000000 3.106938 4.068644 3.607429 3.118826 5.857561 1.500634 0.000000 4.625384 5.272447 2.313363 2.402278 5.892179 1.509812 1.524891 0.000000 4.667114 6.286439 4.671494 4.500685 8.192850 1.510966 2.561760 2.549298 0.000000 4.745920 5.188362 4.370473 3.034025 7.812575 1.508680 2.605746 2.640667 2.517375 0.000000 2.692134 2.674848 4.146382 3.060388 5.338908 2.605150 1.471845 2.612994 3.859892 3.044548 0.000000 5.540726 5.434845 1.337806 1.202409 5.375681 2.636410 2.612126 1.480034 3.865213 3.132280 3.047707 0.000000 1.722623 1.718726 5.411448 4.314921 5.668728 3.627817 2.471060 3.844079 4.650002 3.977530 1.326213 4.364260 0.000000 7.532896 6.982591 1.423973 2.642068 4.919447 4.950644 4.800223 3.637715 6.024759 5.362510 5.026323 2.348454 6.241672 0.000000 7.296901 6.317576 2.432931 2.990728 3.668047 5.534854 5.014944 4.233586 6.767477 5.925609 4.853292 2.980957 5.886526 1.504653 0.000000 6.671933 5.843594 2.865195 3.617801 2.413517 5.596823 4.748017 4.240180 6.760499 6.240673 4.548540 3.359084 5.406167 2.506106 1.390714 0.000000 8.064163 6.618897 3.634428 3.570179 4.130751 6.466044 5.989684 5.320461 7.802483 6.590685 5.572703 3.960080 6.508451 2.506998 1.386337 2.404134 0.000000 6.890559 5.671163 4.215098 4.576195 1.360308 6.564363 5.531008 5.325559 7.784510 7.138383 5.023263 4.518408 5.604571 3.781526 2.403652 1.387827 2.771780 0.000000 8.258002 6.485505 4.772321 4.552853 3.609635 7.330325 6.637259 6.226974 8.713225 7.461743 5.980456 4.989405 6.688931 3.781022 2.399939 2.769908 1.387624 2.392599 0.000000 7.711019 6.018516 5.014906 4.987021 2.340863 7.379117 6.440692 6.236293 8.711190 7.712648 5.735221 5.228198 6.268213 4.287880 2.783520 2.411369 2.408113 1.390122 1.382847 0.000000 5.867598 5.398627 4.983541 5.598798 1.369165 6.499781 5.177687 5.357912 7.445375 7.427936 4.844067 5.184206 5.095831 5.162302 4.193403 2.816747 4.977914 2.352260 4.723854 3.573235 0.000000 4.491124 4.186588 4.896133 5.126554 2.392808 5.593799 4.163113 4.679384 6.539122 6.503911 3.710420 4.752785 3.787839 5.350135 4.518547 3.288240 5.333873 3.043026 5.186406 4.167573 1.388430 0.000000 6.626477 6.593264 5.529078 6.554202 2.370375 7.179015 5.907103 5.974541 7.919516 8.277113 5.845370 5.944421 6.114335 5.769920 4.993105 3.620114 5.905206 3.364345 5.740243 4.613226 1.385338 2.412093 0.000000 3.918030 4.504453 5.370770 5.735200 3.649353 5.441478 3.989233 4.695899 6.108373 6.542184 3.845254 5.175141 3.762254 6.105589 5.536166 4.344955 6.505040 4.336291 6.498848 5.528486 2.393402 1.385628 2.775662 0.000000 6.243228 6.790406 5.957546 7.039987 3.637275 7.058522 5.782402 5.987334 7.565789 8.303823 5.926355 6.288154 6.090584 6.481538 5.933850 4.605648 6.984058 4.570366 6.950750 5.873353 2.394347 2.778233 1.387782 2.399789 0.000000 4.973142 5.880309 5.883740 6.673773 4.136506 6.233423 4.894244 5.387045 6.672422 7.490255 5.045413 5.938244 5.051510 6.633019 6.170840 4.910344 7.247095 4.965696 7.279500 6.259122 2.767930 2.407840 2.406365 1.388449 1.386322 0.000000 2.769353 4.396331 4.205994 4.116330 5.984430 2.195530 1.084692 2.191731 2.666288 3.484633 2.155441 3.447276 2.713923 5.464722 5.647221 5.160754 6.721224 5.883020 7.297416 6.932400 5.085116 4.020762 5.626349 3.493845 5.259007 4.235131 0.000000 5.109548 6.080483 2.387536 3.276633 6.043742 2.205435 2.200239 1.083595 2.648178 3.522179 3.459552 2.151707 4.580242 3.808417 4.537619 4.418741 5.772819 5.582960 6.708454 6.636350 5.377594 4.836810 5.745914 4.680665 5.616974 5.097005 2.391662 0.000000 4.671854 6.555639 4.702384 4.963101 7.947684 2.172826 2.699866 2.685326 1.090806 3.473475 4.127401 4.122863 4.852104 6.117254 6.831440 6.651343 7.986992 7.673271 8.861512 8.728994 7.070210 6.218349 7.373857 5.624672 6.879546 5.994769 2.408944 2.387814 0.000000 5.740596 7.207182 4.802002 4.747299 8.864016 2.153972 3.448618 3.019288 1.091223 2.791213 4.724004 4.121052 5.621312 6.105891 7.049500 7.212851 8.064308 8.342349 9.096562 9.227297 8.188743 7.387555 8.626337 7.028456 8.320076 7.529250 3.667585 3.015265 1.762054 0.000000 4.410723 6.260574 5.663913 5.226270 8.858382 2.151812 3.045862 3.446324 1.091046 2.762118 4.132533 4.742522 4.661775 6.990335 7.639821 7.590055 8.612777 8.517582 9.450650 9.412456 8.071661 7.038857 8.587498 6.517084 8.161767 7.139086 3.048323 3.655932 1.761295 1.763286 0.000000 5.805255 6.232867 4.498638 3.325896 8.501226 2.147956 3.480573 3.098209 2.783020 1.090978 4.056973 3.414102 5.055656 5.428134 6.214268 6.710005 6.851639 7.720326 7.858434 8.254682 8.173081 7.355522 8.968971 7.422628 9.021810 8.289507 4.319822 3.831767 3.791107 2.612856 3.124560 0.000000 4.817226 4.633005 4.207474 2.410303 7.292913 2.186283 2.796026 2.861827 3.480880 1.084847 2.739274 2.895114 3.701780 4.977436 5.353785 5.746637 5.846404 6.538277 6.644166 6.961071 7.070945 6.184937 8.052464 6.435898 8.243074 7.500235 3.822396 3.894563 4.332964 3.802667 3.761551 1.756574 0.000000 4.485805 5.146148 5.410274 4.018784 8.502733 2.131186 3.070261 3.503269 2.731954 1.091130 3.369613 4.155490 3.979581 6.420511 6.897348 7.124360 7.524037 7.925068 8.302941 8.489665 8.051159 7.000955 8.915409 6.921324 8.848247 7.906482 3.776604 4.323764 3.731999 3.105543 2.524838 1.761824 1.759378 0.000000 3.662301 2.777101 3.806681 2.353706 5.008233 3.053987 2.212704 2.821785 4.489453 3.171109 1.082235 2.693230 2.054729 4.430311 4.136507 4.027205 4.677848 4.471972 5.082622 4.991512 4.792110 3.842479 5.924984 4.330555 6.247885 5.557875 3.073048 3.775991 4.855391 5.199891 4.868348 4.067640 2.525115 3.673461 0.000000 8.005162 7.297921 2.080899 2.545131 5.772050 5.131848 5.221124 4.030925 6.244311 5.250660 5.384282 2.624922 6.630352 1.092284 2.146358 3.393553 2.614313 4.539356 3.994234 4.786249 6.109872 6.210742 6.808026 6.993265 7.532700 7.616723 6.020277 4.356772 6.505608 6.203991 7.174581 5.161617 4.792148 6.319741 4.678404 0.000000 8.331473 7.941869 1.997566 3.681405 5.252574 5.684427 5.562709 4.307324 6.587537 6.222142 5.936705 3.209790 7.141957 1.090826 2.146580 2.935120 3.103360 4.202058 4.313698 4.767161 5.479685 5.866049 5.852644 6.560258 6.555514 6.881081 6.102310 4.223929 6.558431 6.586709 7.612032 6.208186 5.943961 7.291802 5.428109 1.765398 0.000000 6.289076 5.944708 2.592412 3.787916 2.676633 5.181339 4.289594 3.754635 6.179259 6.058950 4.366441 3.193270 5.238670 2.708327 2.149087 1.082844 3.386244 2.145984 3.852707 3.391765 2.545002 2.952923 3.080522 3.735272 3.843001 4.123554 4.526377 3.714612 5.925483 6.656418 7.037601 6.541535 5.742511 6.926526 4.089455 3.739194 2.979159 0.000000 8.702180 7.224771 3.947691 3.685445 5.212853 6.728336 6.473927 5.685778 8.058906 6.663892 6.104241 4.231820 7.107351 2.711065 2.144277 3.386156 1.082529 3.854008 2.145870 3.386804 6.037214 6.326094 6.948459 7.453560 7.991381 8.216961 7.299252 6.185103 8.349042 8.199350 8.872044 6.776885 5.894136 7.618192 5.154383 2.373361 3.279438 4.281961 0.000000 9.028440 7.016067 5.711956 5.276845 4.472567 8.160513 7.520829 7.143324 9.582652 8.143012 6.764115 5.860975 7.408371 4.647792 3.380038 3.851815 2.142575 3.372215 1.081929 2.133484 5.664358 6.108527 6.698409 7.448675 7.940896 8.271023 8.231452 7.687324 9.799547 9.942791 10.285251 8.508366 7.251602 8.950934 5.804628 4.675440 5.167502 4.934626 2.469338 0.000000 8.115299 6.231445 6.063579 5.933054 2.550526 8.232175 7.202910 7.150195 9.571363 8.546035 6.370352 6.215259 6.717537 5.369702 3.865333 3.387525 3.393597 2.142533 2.151217 1.081884 3.871131 4.499756 4.893167 5.878688 6.185615 6.604576 7.639871 7.565281 9.575574 10.147301 10.215255 9.149193 7.761824 9.254750 5.660161 5.849935 5.827567 4.279004 4.286540 2.472656 0.000000 4.133291 3.253164 4.879536 4.639680 2.637019 5.331602 3.919622 4.560318 6.442666 6.023588 3.116884 4.506555 3.118168 5.264887 4.348923 3.315236 4.977179 2.985362 4.769702 3.854917 2.147515 1.082656 3.391395 2.148664 3.860790 3.391254 3.998720 4.956107 6.298767 7.300226 6.876532 6.918958 5.570101 6.478795 3.093627 5.985316 5.949242 3.256814 5.915629 5.609327 4.166214 0.000000 7.693720 7.521957 5.947764 7.139074 2.593006 8.014768 6.814832 6.720515 8.764145 9.091083 6.770420 6.541394 7.110097 5.986852 5.175569 3.867841 6.001243 3.533901 5.775687 4.659570 2.138768 3.387860 1.082104 3.857696 2.154126 3.391908 6.588910 6.443991 8.212785 9.399743 9.493382 9.717922 8.835148 9.793385 6.750449 7.031054 5.911864 3.447628 7.033774 6.687904 4.882533 4.277647 0.000000 2.898072 3.923756 5.694778 5.762338 4.524550 5.032021 3.570222 4.581282 5.629569 6.085676 3.381005 5.262688 3.045771 6.563643 6.090451 5.032819 7.029736 5.088223 7.072707 6.191589 3.372901 2.136374 3.857462 1.081844 3.381622 2.145912 2.975956 4.674135 5.201750 6.629823 5.878853 7.035203 6.044056 6.312481 4.071349 7.359267 7.122025 4.461405 7.912200 7.986043 6.544175 2.467609 4.939470 0.000000 7.107422 7.837876 6.645589 7.925612 4.506408 7.826518 6.626816 6.744213 8.191910 9.140474 6.901969 7.094648 7.082030 7.169133 6.718297 5.424591 7.800516 5.438056 7.797352 6.731501 3.373552 3.860178 2.139202 3.382452 1.081952 2.144645 6.028477 6.239482 7.411276 8.897053 8.803174 9.810106 9.149820 9.691032 7.258090 8.245625 7.104936 4.614706 8.792166 8.787648 7.029742 4.942716 2.476967 4.278590 0.000000 5.010421 6.391627 6.531159 7.341672 5.218112 6.460397 5.199059 5.774892 6.668633 7.789456 5.514899 6.538263 5.432150 7.415625 7.091425 5.884091 8.219363 6.025529 8.316360 7.325886 3.849641 3.387035 3.386746 2.145805 2.144521 1.081721 4.362236 5.389102 5.887157 7.540869 7.045029 8.584010 7.931005 8.112585 6.178085 8.385629 7.638107 5.030802 9.157814 9.315869 7.679283 4.284011 4.287399 2.473599 2.473359 0.000000 C21H20Cl2O3 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 0 371.1288999999997 AuxInfo=1/0/N:6;7;8;9;10;11;12;13;14;15;16;17;18;19;20;21;22;23;24;25;26;1;2;3;4;5;27;28;29;30;31;32;33;34;35;36;37;38;39;40;41;42;43;44;45;46/rA:46nCl0Cl0O0O0O0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:-3.4312,2.117,.6358;-1.814,1.4717,2.9399;.649,-2.4777,-1.5191;-.3754,-2.7233,.4487;3.2533,1.5,.3626;-2.9284,-1.6909,-.9667;-2.1864,-.4286,-.6384;-1.4733,-1.5724,-1.3515;-3.904,-1.6211,-2.1184;-3.3915,-2.603,.1422;-1.8408,-.0526,.742;-.3834,-2.3182,-.6833;-2.3079,1.0268,1.3549;1.8398,-3.0226,-.9598;2.5086,-2.073,-.0033;2.5402,-.7121,-.2881;3.1226,-2.5543,1.1426;3.1755,.1602,.5847;3.7769,-1.6765,1.9951;3.8026,-.3198,1.7287;2.333,2.0917,-.4606;1.003,2.1868,-.0735;2.7627,2.6294,-1.6629;.1,2.8296,-.905;1.8506,3.2771,-2.4843;.519,3.3748,-2.1112;-2.3958,.4147,-1.2877;-1.2816,-1.3848,-2.4014;-3.5732,-.9346,-2.8989;-4.034,-2.604,-2.5741;-4.8815,-1.2821,-1.772;-3.505,-3.6233,-.2271;-2.7214,-2.6341,.9947;-4.368,-2.2677,.4951;-1.1582,-.6755,1.3053;1.6386,-3.9785,-.471;2.481,-3.2143,-1.8211;2.0671,-.3333,-1.1854;3.0788,-3.6098,1.379;4.2535,-2.0508,2.8914;4.2957,.3719,2.3987;.681,1.7745,.8743;3.804,2.5463,-1.9451;-.9349,2.9149,-.6014;2.1851,3.7017,-3.4215;-.1895,3.8808,-2.7532; 0.1983164 0.1513652 0.1204355 -101.57461 -101.57049 -19.17833 -19.16706 -19.11835 -10.31135 -10.28689 -10.24275 -10.24070 -10.23978 -10.21155 -10.20850 -10.20320 -10.19950 -10.19158 -10.18400 -10.18246 -10.18104 -10.18066 -10.18055 -10.17933 -10.17660 -10.17552 -10.17468 -10.17357 -10.16525 -9.48988 -9.48566 -7.25448 -7.25046 -7.24468 -7.24417 -7.24026 -7.23995 -1.12929 -1.09803 -1.03787 -0.93541 -0.90644 -0.87765 -0.86490 -0.84900 -0.79820 -0.77915 -0.77128 -0.76248 -0.75348 -0.74091 -0.72281 -0.70560 -0.66238 -0.64755 -0.62613 -0.61791 -0.59862 -0.59157 -0.56777 -0.55904 -0.55374 -0.52849 -0.51842 -0.50886 -0.50044 -0.49313 -0.48770 -0.48445 -0.48063 -0.47601 -0.46733 -0.45520 -0.44722 -0.44575 -0.44085 -0.43809 -0.42792 -0.42094 -0.41741 -0.41456 -0.40620 -0.40446 -0.39377 -0.39036 -0.38198 -0.38052 -0.37249 -0.36672 -0.36372 -0.36199 -0.35046 -0.35003 -0.33934 -0.33305 -0.32736 -0.32284 -0.32013 -0.30455 -0.29143 -0.27048 -0.26170 -0.25670 -0.24985 -0.23299 -0.03238 -0.02908 -0.02036 -0.01570 -0.01315 -0.00946 -0.00580 -0.00067 0.00675 0.00741 0.01465 0.01996 0.02046 0.02472 0.02851 0.03250 0.03522 0.03963 0.04381 0.04439 0.04885 0.04996 0.05927 0.05947 0.06098 0.06451 0.06960 0.07363 0.07606 0.07723 0.08117 0.08890 0.09105 0.09235 0.09567 0.09865 0.10538 0.10748 0.10865 0.11274 0.11552 0.11751 0.12036 0.12197 0.12331 0.12501 0.12897 0.13122 0.13251 0.13632 0.13676 0.13885 0.14079 0.14407 0.14634 0.14876 0.15347 0.15801 0.15955 0.16023 0.16229 0.16812 0.16884 0.17111 0.17427 0.17719 0.17831 0.18221 0.18463 0.18620 0.18890 0.18970 0.19270 0.19831 0.19980 0.20069 0.20331 0.20684 0.20865 0.20998 0.21285 0.21387 0.21541 0.21938 0.22215 0.22227 0.22957 0.23072 0.23188 0.23510 0.23688 0.23847 0.24153 0.24387 0.24533 0.24745 0.24998 0.25163 0.25635 0.25678 0.25821 0.26111 0.26384 0.26651 0.27029 0.27106 0.27562 0.27674 0.27831 0.28027 0.28324 0.28502 0.28842 0.29114 0.29514 0.29714 0.30161 0.30529 0.30687 0.31247 0.31626 0.32070 0.32250 0.32535 0.33217 0.33403 0.34240 0.34274 0.34667 0.34892 0.35201 0.35676 0.35820 0.36575 0.36748 0.37091 0.37573 0.37887 0.38521 0.38542 0.38887 0.39450 0.39879 0.39943 0.40614 0.41880 0.42061 0.42272 0.43636 0.44530 0.44968 0.45288 0.46041 0.46157 0.46781 0.47840 0.48157 0.49437 0.50016 0.50098 0.50804 0.51005 0.51283 0.51859 0.53120 0.53561 0.54112 0.54493 0.55039 0.55355 0.55822 0.56058 0.56388 0.57052 0.57210 0.57654 0.57831 0.58099 0.58507 0.58883 0.59346 0.59614 0.60022 0.60547 0.61650 0.62102 0.62896 0.63146 0.63566 0.63794 0.64868 0.65075 0.65714 0.66142 0.66410 0.66780 0.67626 0.67857 0.68304 0.68788 0.69222 0.69481 0.69568 0.69703 0.70560 0.70694 0.71459 0.71869 0.72119 0.72298 0.72455 0.72805 0.73494 0.73807 0.74207 0.74726 0.75161 0.75608 0.75925 0.76626 0.77026 0.77715 0.78152 0.78413 0.78861 0.79320 0.79517 0.79982 0.80222 0.81621 0.81952 0.82421 0.83031 0.83821 0.84413 0.84569 0.84805 0.85428 0.86379 0.86730 0.86990 0.87982 0.88245 0.88562 0.89430 0.90433 0.91087 0.91757 0.92284 0.93312 0.93714 0.94840 0.95003 0.95526 0.95934 0.96233 0.96764 0.98118 0.98273 0.98557 0.99494 0.99843 1.00605 1.00802 1.01629 1.02964 1.03568 1.03643 1.04400 1.05026 1.05609 1.06665 1.07390 1.07499 1.08320 1.09143 1.09848 1.11194 1.11261 1.12671 1.13093 1.14407 1.14701 1.15762 1.16137 1.17424 1.18637 1.19467 1.20687 1.21994 1.22955 1.23193 1.26206 1.26753 1.28148 1.29397 1.30650 1.31153 1.32585 1.32712 1.33151 1.34938 1.35496 1.35901 1.37650 1.38831 1.39288 1.40535 1.41485 1.42796 1.43801 1.45234 1.46093 1.47094 1.47977 1.49057 1.49701 1.49934 1.51422 1.52032 1.52557 1.53057 1.53342 1.53405 1.54637 1.56039 1.56821 1.57713 1.57958 1.58751 1.59039 1.59591 1.60305 1.60727 1.61100 1.62001 1.62151 1.63808 1.64404 1.64891 1.65692 1.66388 1.67306 1.67372 1.67861 1.68913 1.69374 1.69695 1.70503 1.71186 1.71708 1.72740 1.73850 1.74177 1.74684 1.74916 1.75119 1.76099 1.76603 1.77188 1.78412 1.78977 1.79301 1.80990 1.81539 1.83498 1.84466 1.85065 1.86644 1.86961 1.88103 1.88506 1.89420 1.90984 1.91412 1.91996 1.92357 1.93067 1.93682 1.94062 1.95033 1.95704 1.96081 1.96193 1.96837 1.98369 1.99325 1.99462 2.00340 2.00898 2.01711 2.02270 2.02829 2.03102 2.04319 2.04724 2.05373 2.05891 2.08268 2.08791 2.09890 2.10810 2.12320 2.13095 2.14428 2.14860 2.16825 2.17968 2.19169 2.21135 2.22467 2.23201 2.24134 2.24779 2.27613 2.28347 2.29487 2.30343 2.32107 2.32820 2.33740 2.34615 2.35169 2.37090 2.37552 2.40307 2.41174 2.41591 2.42228 2.43380 2.43627 2.45483 2.48195 2.48671 2.49544 2.50601 2.50673 2.52014 2.52328 2.53032 2.53983 2.54111 2.55257 2.56795 2.58172 2.61613 2.63139 2.63192 2.64251 2.65002 2.65212 2.66326 2.67029 2.67439 2.68205 2.70617 2.71169 2.72129 2.72674 2.73562 2.75023 2.75426 2.75671 2.76019 2.76346 2.76731 2.76954 2.77971 2.79272 2.79744 2.80392 2.81536 2.82037 2.82366 2.83609 2.83848 2.84415 2.86288 2.86580 2.87000 2.87447 2.88704 2.89424 2.89765 2.91240 2.91786 2.92695 2.94456 2.95022 2.96481 2.97388 2.98008 2.99393 3.00370 3.00928 3.02947 3.04248 3.06211 3.09435 3.10359 3.11943 3.12741 3.14401 3.15247 3.16512 3.17623 3.18694 3.19238 3.20664 3.21838 3.22959 3.24410 3.28811 3.30693 3.34443 3.34742 3.36621 3.38946 3.39602 3.41143 3.41696 3.43180 3.46980 3.47421 3.53304 3.55895 3.56387 3.61026 3.62449 3.63537 3.63972 3.67645 3.69855 3.70833 3.73499 3.75322 3.79378 3.81549 3.83392 3.84753 3.85678 3.87151 3.99351 4.00796 4.01186 4.03982 4.04763 4.11157 4.13318 4.15262 4.15969 4.16416 4.18376 4.18960 4.27990 4.32286 4.35177 4.56701 4.58793 4.85461 4.86952 5.11053 5.15380 5.17684 5.31082 5.44088 5.47677 5.69141 5.92198 5.93699 9.79223 9.82841 23.54824 23.61890 23.63805 23.83063 23.86132 23.87956 23.90357 23.95707 23.96584 23.97226 23.98463 23.99726 24.00362 24.01847 24.09990 24.10425 24.11606 24.12515 24.21785 24.21891 24.22160 25.95136 25.96354 26.02144 26.15675 26.69205 26.71230 49.92986 50.00191 50.05356 215.78946 215.82899 1-A. -0.4630 -1.3418 -2.8595 3.1924 -163.4619 -166.1931 -161.9872 -1.8583 5.5756 -2.9643 0.4188 -2.3123 1.8935 -1.8583 5.5756 -2.9643 -36.1528 -35.6783 7.1630 3.2346 -25.4794 -9.1081 16.7898 10.7108 -24.4253 -9.7335 -6735.7793 -4606.1006 -2295.4086 12.9209 40.0371 -137.7970 8.7306 10.8036 -14.2953 -1831.5434 -1411.4858 -1095.8344 -41.8273 -2.8159 5.5254 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 371.1288999999997 AuxInfo=1/0/N:6;7;8;9;10;11;12;13;14;15;16;17;18;19;20;21;22;23;24;25;26;1;2;3;4;5;27;28;29;30;31;32;33;34;35;36;37;38;39;40;41;42;43;44;45;46/rA:46nCl0Cl0O0O0O0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:-4.0258,-1.0929,-.8749;-2.1754,-1.2104,-3.1458;1.1518,2.532,1.1499;.4113,2.5319,-.9805;2.762,-2.2701,.6227;-2.4417,2.6847,.2882;-2.1458,1.2045,.174;-1.124,2.1457,.84;-3.4659,3.0923,1.3327;-2.471,3.5499,-.9571;-1.8626,.5488,-1.1168;.186,2.423,.2042;-2.5878,-.4405,-1.6345;2.507,2.6691,.6612;3.0461,1.3721,.1018;2.6279,.1559,.6415;3.9768,1.3878,-.9372;3.1225,-1.0378,.1206;4.4897,.1874,-1.4273;4.0623,-1.0308,-.9089;1.5045,-2.4491,1.1747;.3459,-2.0491,.5083;1.4338,-3.1158,2.3943;-.8933,-2.318,1.0829;.1868,-3.3853,2.9562;-.9792,-2.9853,2.3052;-2.6726,.5782,.885;-1.0599,2.0579,1.9171;-3.4347,2.4434,2.2117;-3.287,4.1202,1.6631;-4.4746,3.0427,.9117;-2.303,4.5973,-.689;-1.7174,3.2659,-1.6875;-3.4571,3.4758,-1.4251;-1.0111,.8893,-1.6932;2.5472,3.458,-.0918;3.0688,2.9833,1.5424;1.9046,.1378,1.4459;4.2864,2.3303,-1.3749;5.2103,.1993,-2.2371;4.4318,-1.9745,-1.2904;.416,-1.5366,-.4433;2.3536,-3.4158,2.8812;-1.7944,-2.0173,.5648;.13,-3.9067,3.905;-1.9483,-3.1963,2.7421; 0.000000 2.931711 0.000000 6.636762 6.597636 0.000000 5.730413 5.038277 2.255439 0.000000 7.049962 6.300917 5.092188 5.581634 0.000000 4.258260 5.199578 3.698450 3.126027 7.193021 0.000000 3.148367 4.105328 3.686322 3.103821 6.029954 1.513847 0.000000 4.674323 5.315554 2.329067 2.412521 5.886181 1.526797 1.540617 0.000000 4.764751 6.343191 4.655137 4.549439 8.248980 1.518621 2.578584 2.573574 0.000000 4.896940 5.247740 4.312769 3.056832 7.984458 1.516635 2.624168 2.648677 2.538210 0.000000 2.726385 2.703578 4.261157 3.020200 5.688394 2.621424 1.475285 2.631463 3.878224 3.066376 0.000000 5.591565 5.477307 1.356042 1.210832 5.369867 2.642029 2.631251 1.482345 3.880488 3.110999 3.074857 0.000000 1.752259 1.745481 5.529363 4.272900 6.087921 3.672285 2.484410 3.867105 4.696449 4.049235 1.331459 4.390380 0.000000 7.693442 7.174138 1.447158 2.665683 4.945901 4.962679 4.902166 3.672886 6.025392 5.307969 5.172030 2.378250 6.395104 0.000000 7.552609 6.669367 2.456116 3.075560 3.690140 5.645661 5.195178 4.305056 6.846960 6.025173 5.124261 3.048776 6.167828 1.511910 0.000000 6.937643 6.267567 2.843137 3.631799 2.429711 5.676324 4.909901 4.251588 6.799656 6.330402 4.838453 3.360652 5.721939 2.516220 1.394731 0.000000 8.378466 7.034038 3.694041 3.744827 4.157977 6.661822 6.225344 5.454438 7.965640 6.800639 5.902033 4.091967 6.850056 2.521288 1.394963 2.414397 0.000000 7.217522 6.226350 4.205541 4.615851 1.378597 6.696672 5.725944 5.355863 7.869840 7.314094 5.375836 4.539507 6.003827 3.796335 2.411139 1.393112 2.780677 0.000000 8.628898 7.023554 4.825070 4.725475 3.636833 7.564626 6.901402 6.363146 8.907766 7.744604 6.370101 5.116795 7.108365 3.801594 2.413662 2.783404 1.394392 2.401339 0.000000 8.088373 6.629069 5.040174 5.101774 2.360508 7.585483 6.686556 6.328230 8.871221 7.979293 6.135310 5.309733 6.715596 4.309710 2.797860 2.422661 2.420307 1.393928 1.391248 0.000000 6.051774 5.808836 4.993569 5.536231 1.384942 6.535576 5.260669 5.304046 7.445571 7.505778 5.057184 5.139769 5.354764 5.240639 4.257783 2.886537 5.029289 2.391824 4.757412 3.590945 0.000000 4.683909 4.518025 4.695459 4.817269 2.428858 5.497993 4.111709 4.457227 6.453174 6.436694 3.777179 4.485279 3.973174 5.191825 4.377304 3.176059 5.204314 2.980397 5.091131 4.105686 1.395155 0.000000 6.677314 6.881092 5.790106 6.658163 2.370271 7.287023 6.033913 6.053231 7.979619 8.420853 6.051687 6.085368 6.289867 6.133565 5.291135 3.898995 6.152083 3.512784 5.903792 4.708192 1.391754 2.424556 0.000000 3.891770 4.555430 5.263904 5.429575 3.684455 5.296763 3.847376 4.476199 5.995961 6.409556 3.741141 4.941030 3.712224 6.050665 5.486152 4.325947 6.444451 4.323397 6.446293 5.493770 2.403145 1.392142 2.787796 0.000000 6.138230 6.895226 6.261583 7.110585 3.649733 7.132440 5.852126 6.065324 7.611622 8.394897 6.022117 6.427234 6.119248 6.877910 6.241417 4.884310 7.232175 4.708449 7.105915 5.958288 2.405500 2.793366 1.394001 2.411462 0.000000 4.793276 5.856112 6.026303 6.570279 4.163998 6.193259 4.843268 5.338089 6.638296 7.455010 4.998010 5.917933 4.958343 6.843161 6.328107 5.064227 7.361987 5.038787 7.342115 6.290194 2.781056 2.420988 2.418153 1.395266 1.394052 0.000000 2.778583 4.437724 4.302743 4.099671 6.141348 2.201610 1.084069 2.203933 2.674070 3.502164 2.159691 3.469708 2.718999 5.590205 5.826469 5.322933 6.941929 6.064609 7.536479 7.153021 5.166858 4.019436 5.725911 3.404799 5.308023 4.193227 0.000000 5.149685 6.128543 2.388420 3.283984 5.917236 2.226040 2.223946 1.082562 2.683339 3.532397 3.482287 2.149266 4.603366 3.830556 4.541445 4.341065 5.827839 5.504838 6.744022 6.615349 5.238334 4.563832 5.763129 4.457814 5.680012 5.058835 2.419899 0.000000 4.730934 6.605986 4.708599 4.998916 7.946120 2.178095 2.710766 2.703607 1.092968 3.492013 4.140089 4.140060 4.881382 6.144798 6.899309 6.667380 8.121567 7.712893 9.007136 8.832500 7.029038 6.113688 7.391912 5.513948 6.902408 5.958996 2.412488 2.423884 0.000000 5.844951 7.264772 4.742227 4.815463 8.860495 2.159992 3.467158 3.042174 1.094399 2.802964 4.744715 4.131708 5.671303 6.056401 7.078041 7.193492 8.184775 8.370575 9.246381 9.335980 8.145690 7.252021 8.670645 6.893205 8.370864 7.498448 3.678169 3.045905 1.770386 0.000000 4.527254 6.311738 5.654500 5.264266 8.982003 2.156293 3.057139 3.469280 1.094159 2.786380 4.142099 4.754559 4.709100 6.996024 7.746465 7.671526 8.808080 8.659794 9.694430 9.632533 8.122660 7.023226 8.662195 6.449115 8.199205 7.106075 3.053114 3.693331 1.769320 1.770882 0.000000 5.948204 6.307294 4.425262 3.423194 8.633401 2.152259 3.504429 3.120626 2.775766 1.094125 4.094858 3.423586 5.133718 5.355093 6.296110 6.768390 7.056802 7.864264 8.132266 8.499500 8.223269 7.254317 9.108391 7.276533 9.121868 8.259194 4.332169 3.845187 3.786039 2.593943 3.113650 0.000000 4.998835 4.730100 4.101422 2.360023 7.486537 2.183086 2.810409 2.827551 3.494193 1.087261 2.780216 2.812848 3.807637 4.870063 5.429470 5.829089 6.042639 6.724270 6.933445 7.243792 7.157757 6.109641 8.204699 6.287567 8.332336 7.454142 3.841109 3.858023 4.339291 3.797425 3.795756 1.764273 0.000000 4.636757 5.154074 5.363133 4.006591 8.711215 2.142998 3.071749 3.513255 2.784394 1.094051 3.347429 4.127412 4.017121 6.369717 7.003499 7.233290 7.736935 8.127329 8.600306 8.781647 8.153566 6.980359 9.053069 6.814016 8.918988 7.861389 3.787915 4.350523 3.780560 3.159323 2.585234 1.769587 1.771873 0.000000 3.699593 2.806138 3.931897 2.286750 5.438831 3.032491 2.207579 2.829863 4.476092 3.122819 1.083101 2.717661 2.063473 4.592135 4.462772 4.385368 5.069425 4.908231 5.551789 5.481004 5.069298 3.914345 6.223021 4.243444 6.428344 5.567814 3.082911 3.794992 4.851506 5.184911 4.839197 4.053002 2.479328 3.569982 0.000000 8.032914 7.309137 2.084846 2.491912 5.776388 5.062708 5.212835 4.008517 6.190362 5.093071 5.381455 2.594965 6.629251 1.091263 2.153435 3.383480 2.654031 4.537370 4.031569 4.807515 6.130579 5.960987 7.115797 6.824813 7.854377 7.726377 6.041023 4.359654 6.489888 6.128354 7.105276 5.017925 4.557389 6.150574 4.671628 0.000000 8.531778 8.189470 2.008132 3.691996 5.342101 5.659214 5.677050 4.332958 6.538943 6.103848 6.108702 3.227170 7.335718 1.091250 2.161432 3.000051 3.085189 4.265380 4.319200 4.807185 5.665055 5.814510 6.371673 6.634209 7.131862 7.252091 6.259438 4.247637 6.560080 6.457802 7.569900 6.036564 5.780914 7.185758 5.612411 1.779820 0.000000 6.486127 6.288695 2.527141 3.721442 2.685275 5.168833 4.377380 3.683920 6.130577 6.046693 4.574695 3.117272 5.477743 2.717771 2.152486 1.081974 3.396441 2.149840 3.865366 3.400946 2.631618 2.844489 3.421537 3.740410 4.200419 4.336864 4.632427 3.563271 5.866021 6.546708 7.029746 6.492243 5.720309 6.937772 4.349719 3.714971 3.075984 0.000000 9.003352 7.578059 4.030056 3.900347 5.241903 6.939591 6.711198 5.849124 8.246808 6.879227 6.407010 4.394888 7.416178 2.725213 2.153427 3.397738 1.084343 3.864622 2.153192 3.400698 6.089488 6.184902 7.211421 7.380801 8.260313 8.338191 7.523619 6.284402 8.514201 8.354033 9.082411 7.002130 6.084230 7.827882 5.499195 2.437759 3.227938 4.293873 0.000000 9.424977 7.573690 5.777992 5.481862 4.502234 8.432486 7.806186 7.306190 9.817820 8.477440 7.169525 6.012335 7.847484 4.669918 3.395543 3.867419 2.150334 3.383493 1.084028 2.143677 5.690965 6.021179 6.833878 7.390027 8.065644 8.311661 8.487120 7.747689 9.978167 10.138529 10.573369 8.842456 7.595949 9.301516 6.283125 4.723698 5.159608 4.949380 2.477563 0.000000 8.513506 6.905118 6.084538 6.047134 2.556399 8.452451 7.450838 7.237463 9.742998 8.847478 6.783451 6.292686 7.193486 5.392244 3.880414 3.394756 3.411255 2.140657 2.166977 1.082836 3.856254 4.464860 4.885427 5.840079 6.167910 6.574809 7.856233 7.530343 9.677989 10.268779 10.456746 9.429073 8.088944 9.589463 6.163467 5.873618 5.870431 4.282022 4.308080 2.495527 0.000000 4.484721 3.758361 4.430927 4.103814 2.679127 5.149864 3.802329 4.192591 6.296856 5.871246 3.161377 4.018806 3.412286 4.824939 3.959173 2.988967 4.634123 2.809294 4.531604 3.710499 2.152976 1.083078 3.403193 2.157312 3.876407 3.405791 3.971938 4.546463 6.141466 7.081590 6.835467 6.714065 5.400325 6.410102 3.079605 5.441613 5.604436 2.930631 5.549835 5.405185 4.127400 0.000000 7.758903 7.854948 6.310180 7.352609 2.565277 8.181384 6.994365 6.869591 8.866816 9.302198 7.034078 6.779145 7.325466 6.479106 5.579314 4.224773 6.347432 3.723864 6.009144 4.792960 2.137227 3.395525 1.083116 3.870627 2.168294 3.409503 6.723097 6.522563 8.263400 9.491695 9.602892 9.931842 9.060444 9.990172 7.126050 7.491686 6.576735 3.858761 7.407341 6.886729 4.878348 4.282289 0.000000 2.811804 3.816398 5.451455 5.286602 4.563762 4.754432 3.264363 4.225598 5.430624 5.811024 3.068762 4.875315 2.820118 6.361896 5.927316 4.928064 6.867125 5.033211 6.951224 6.119291 3.382485 2.141293 3.869752 1.082011 3.393405 2.151838 2.758668 4.356119 5.029992 6.411165 5.736458 6.751604 5.743800 6.074444 3.763047 7.018497 7.043609 4.370736 7.722718 7.863191 6.496825 2.476563 4.952523 0.000000 6.930737 7.892945 7.077477 8.087165 4.514395 7.946142 6.724845 6.899145 8.278452 9.273932 7.002860 7.332384 7.077273 7.708009 7.129741 5.778794 8.141015 5.613141 8.012642 6.848849 3.386512 3.877501 2.146521 3.396429 1.084147 2.153776 6.090086 6.398782 7.476505 9.007361 8.857516 9.967078 9.280890 9.786660 7.459448 8.720956 7.854331 5.055090 9.168057 8.966269 7.016450 4.960527 2.496698 4.293015 0.000000 4.671414 6.217868 6.705080 7.227486 5.247525 6.391463 5.099044 5.730084 6.620827 7.711536 5.378057 6.524744 5.211319 7.653902 7.265320 6.049063 8.346084 6.102816 8.383374 7.358358 3.864810 3.401337 3.400872 2.153450 2.154142 1.083760 4.268455 5.392278 5.856341 7.515765 6.975432 8.522798 7.837981 8.009899 6.102581 8.515808 8.049699 5.257433 9.293215 9.357736 7.645810 4.300105 4.309752 2.480715 2.485264 0.000000 C21H20Cl2O3 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 0 371.1288999999997 AuxInfo=1/0/N:6;7;8;9;10;11;12;13;14;15;16;17;18;19;20;21;22;23;24;25;26;1;2;3;4;5;27;28;29;30;31;32;33;34;35;36;37;38;39;40;41;42;43;44;45;46/rA:46nCl0Cl0O0O0O0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:-3.6705,1.9749,.533;-2.2455,1.305,3.0059;.8361,-2.4845,-1.4294;-.2306,-2.6081,.554;3.3614,1.6452,.1514;-2.7936,-1.869,-1.0759;-2.1998,-.5396,-.6614;-1.3161,-1.5978,-1.3489;-3.6939,-1.857,-2.2988;-3.2216,-2.87,-.0199;-1.9973,-.1665,.7515;-.2252,-2.2779,-.6109;-2.5607,.886,1.3411;2.026,-3.0202,-.8039;2.7387,-1.9904,.0431;2.697,-.6441,-.3189;3.456,-2.3842,1.1729;3.3504,.3031,.4664;4.1336,-1.4306,1.9317;4.0799,-.0831,1.5896;2.2852,2.2061,-.5159;.9722,2.0125,-.0857;2.5687,3.0378,-1.5952;-.0628,2.6583,-.7565;1.5243,3.6842,-2.2545;.2067,3.4948,-1.8402;-2.4482,.2927,-1.31;-1.0554,-1.3747,-2.3757;-3.3733,-1.1165,-3.0359;-3.6952,-2.8388,-2.7824;-4.7221,-1.6213,-2.0082;-3.2481,-3.8767,-.4476;-2.5564,-2.8885,.8399;-4.2305,-2.6232,.3238;-1.3511,-.7856,1.3616;1.7639,-3.8944,-.2056;2.6429,-3.3332,-1.6479;2.1403,-.3329,-1.1929;3.4711,-3.4268,1.4706;4.6881,-1.736,2.8117;4.5808,.6754,2.1781;.7671,1.3673,.7596;3.6001,3.1687,-1.8987;-1.0816,2.5178,-.4203;1.7437,4.3343,-3.0939;-.6045,3.9986,-2.3526; 0.1977765 0.1436713 0.1137186 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= 729 729 729 729 729 MxSgAt= 46 MxSgA2= 46. NPDir=0 NMtPBC= 1 NCelOv= 1 NCel= 1 NClECP= 1 NCelD= 1 NCelK= 1 NCelE2= 1 NClLst= 1 CellRange= 0.0. One-electron integrals computed using PRISM. One-electron integral symmetry used in STVInt NBasis= 708 RedAO= T EigKep= 1.05D-06 NBF= 708 NBsUse= 707 1.00D-06 EigRej= 9.02D-07 NBFU= 707 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= 727 727 727 727 727 MxSgAt= 46 MxSgA2= 46. 1 -1.82153860e-01 -5.27895186e-01 -1.12501636e+00 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 17 17 8 8 8 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 1 -0.012509591 -0.005039027 0.005459354 0.004772850 -0.006361444 -0.012048794 -0.001419488 -0.000653385 0.014718431 0.002154792 0.001996080 -0.014793165 0.007084542 -0.010261322 -0.002848252 -0.004485505 0.004854342 -0.001019893 -0.002207628 -0.008966537 -0.001229228 0.005451309 0.001843518 0.007004929 -0.002891205 0.000524706 0.002931841 0.000298511 0.002190169 -0.004034975 0.004109733 0.002638116 0.001108098 -0.010260621 -0.000346742 0.002638363 0.003463718 0.004211542 0.003020045 0.012115596 0.003590803 -0.001191132 0.000392184 0.001421465 0.000991243 -0.003083508 0.000032076 0.004937807 0.002151948 0.004830054 -0.001607805 0.001860916 0.005884509 -0.003249617 0.003292872 0.000333563 -0.004117015 0.002679220 -0.003843924 -0.002808887 -0.005845875 -0.000275395 0.004016886 -0.001155300 0.000950202 -0.005323540 0.004304214 -0.001987379 0.002772410 -0.005245647 0.001176057 -0.002687592 0.000347555 -0.001431346 0.005179136 -0.004708422 -0.000797505 0.002566115 -0.000268421 -0.000085997 -0.000477763 0.001510428 0.000348824 -0.000433857 0.000335608 -0.001195279 0.001261449 0.000522132 0.002250300 0.000354356 -0.001749234 -0.000276223 -0.001269516 0.000411303 0.001960943 0.000778368 0.002282450 -0.001045120 0.000304380 -0.002214088 -0.000166637 -0.000622285 0.000673279 0.001292171 0.000358165 -0.002133127 -0.000042745 -0.000802652 -0.000517347 -0.000196821 0.001376985 -0.000339087 0.000118772 -0.000584829 0.000161860 0.001118990 -0.000426694 0.001019867 0.000154280 -0.001250692 -0.000598746 -0.001425419 0.000449257 0.001120624 0.000808451 -0.000302144 0.001409759 0.000338713 -0.000790630 -0.001007008 0.000361383 -0.000619190 0.000075241 -0.000614423 0.001510175 -0.001362666 -0.000217360 0.000802356 0.014793165 0.003863800 (Enter /usr/local/gaussian/gaussian16/g16/l716.exe) Closed 1 1 1 -1958.68995568371 -1958.68997833278 -0.000022649067 -1958.68997818875 0.000000144028 -1958.68997857783 -0.000000389071 -1958.68997860342 -0.000000025596 -1958.68997860524 -0.000000001815 -1958.68997860604 -0.000000000802 -1958.68997860557 0.000000000464 -1958.68997860565 -0.000000000080 -1958.68997860548 0.000000000175 -1958.68997861 10 1.952106309608e+03 -9.896505584227e+03 3.339768270445e+03 Using DIIS extrapolation, IDIIS= 1040. NGot= 1887436800 LenX= 1886345404 LenY= 1885805914 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) PT259618.400S 2023-05-12T18:11:23.000 Mulliken charges: 1 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 Cl Cl O O O 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 H 0.153316 0.320217 0.064522 -0.167243 0.060836 0.404164 0.460818 -0.337125 -0.270459 -0.611837 -0.869890 -0.539758 -0.311768 -0.119860 0.719802 1.055065 -0.309048 -1.374049 -0.306336 -0.332642 -0.664335 0.603166 0.137842 -0.400235 -0.187970 -0.134246 0.154528 0.176513 0.132378 0.148891 0.148070 0.145982 0.173753 0.141828 0.188921 0.161491 0.180176 0.155509 0.109688 0.127205 0.127188 0.154055 0.127579 0.152934 0.128437 0.121927 -0.00000 -101.57513 -101.57038 -19.17949 -19.16805 -19.12293 -10.31623 -10.29171 -10.24510 -10.24423 -10.24221 -10.21770 -10.21288 -10.20824 -10.20330 -10.19669 -10.18536 -10.18445 -10.18267 -10.18133 -10.18070 -10.18031 -10.17942 -10.17906 -10.17902 -10.17876 -10.16963 -9.48968 -9.48481 -7.25442 -7.24979 -7.24447 -7.24402 -7.23939 -7.23915 -1.12094 -1.08783 -1.03513 -0.92650 -0.90166 -0.87510 -0.86138 -0.84450 -0.79620 -0.77961 -0.76952 -0.75899 -0.75300 -0.73974 -0.72119 -0.70712 -0.66327 -0.64552 -0.62503 -0.61489 -0.59842 -0.59001 -0.56664 -0.55669 -0.55313 -0.52734 -0.51779 -0.50593 -0.49953 -0.49332 -0.48438 -0.48232 -0.47676 -0.47479 -0.46494 -0.45472 -0.44774 -0.44646 -0.44128 -0.43662 -0.42821 -0.42040 -0.41345 -0.41224 -0.40609 -0.40575 -0.39701 -0.39243 -0.38359 -0.38074 -0.37263 -0.36529 -0.36477 -0.36182 -0.35087 -0.34909 -0.33833 -0.33441 -0.32996 -0.32363 -0.32092 -0.30594 -0.29361 -0.26907 -0.26192 -0.25806 -0.25202 -0.23070 -0.03432 -0.03199 -0.02382 -0.01987 -0.01640 -0.01198 -0.00662 -0.00357 0.00553 0.00735 0.01399 0.01838 0.01878 0.02407 0.02687 0.03108 0.03494 0.03821 0.04330 0.04421 0.04894 0.04939 0.05656 0.05736 0.06166 0.06328 0.06889 0.07243 0.07562 0.07754 0.08053 0.08600 0.08674 0.09185 0.09279 0.09798 0.10179 0.10596 0.10674 0.11186 0.11411 0.11458 0.11721 0.11886 0.12057 0.12066 0.12648 0.12892 0.13166 0.13274 0.13594 0.13690 0.14023 0.14197 0.14361 0.14527 0.15046 0.15188 0.15598 0.15843 0.16138 0.16441 0.16547 0.16963 0.17209 0.17438 0.17634 0.17922 0.18168 0.18490 0.18599 0.18862 0.19205 0.19650 0.19879 0.19934 0.20203 0.20302 0.20611 0.20800 0.21007 0.21150 0.21512 0.21751 0.22251 0.22487 0.22667 0.22985 0.23097 0.23258 0.23493 0.23591 0.23902 0.24133 0.24450 0.24718 0.24809 0.24866 0.25126 0.25329 0.25675 0.25823 0.26128 0.26382 0.26523 0.26836 0.26987 0.27355 0.27483 0.27638 0.27859 0.28299 0.28611 0.28816 0.29121 0.29299 0.29773 0.29914 0.30665 0.30816 0.30974 0.31672 0.31892 0.32218 0.32638 0.33001 0.33363 0.33652 0.33893 0.34339 0.34616 0.34970 0.35074 0.35904 0.36244 0.36508 0.36866 0.37172 0.37568 0.37847 0.38593 0.38999 0.39240 0.39534 0.40099 0.40695 0.41546 0.42015 0.42406 0.44137 0.44283 0.44676 0.45432 0.46095 0.46338 0.46693 0.47018 0.48144 0.48801 0.49572 0.49663 0.49922 0.50780 0.51041 0.51867 0.52726 0.53020 0.53852 0.54042 0.54276 0.55193 0.55468 0.55828 0.56167 0.56801 0.56890 0.57274 0.57688 0.58012 0.58526 0.59231 0.59766 0.59970 0.60314 0.60892 0.61860 0.62123 0.62136 0.63099 0.63260 0.63841 0.64637 0.64799 0.65066 0.65637 0.66089 0.66832 0.66968 0.67715 0.67847 0.68587 0.68714 0.69127 0.69286 0.69544 0.69932 0.70289 0.70813 0.71326 0.71492 0.71626 0.72390 0.72795 0.72951 0.73803 0.73814 0.74625 0.74866 0.75105 0.75529 0.76326 0.76862 0.76937 0.77733 0.78150 0.78536 0.78935 0.79250 0.79937 0.80263 0.81152 0.81563 0.82643 0.83020 0.83429 0.83912 0.84405 0.84826 0.85369 0.85584 0.86670 0.87054 0.88364 0.88477 0.89208 0.89558 0.89768 0.91147 0.91648 0.92293 0.93333 0.93795 0.94317 0.94441 0.95301 0.96140 0.96349 0.97042 0.97536 0.97829 0.98771 0.99767 1.00255 1.00589 1.01363 1.02219 1.03155 1.03564 1.04515 1.04986 1.05259 1.05817 1.05848 1.07321 1.07558 1.08068 1.08784 1.09277 1.10569 1.11072 1.11542 1.12154 1.13111 1.14062 1.14522 1.16022 1.16679 1.18478 1.18696 1.19849 1.21554 1.22205 1.22558 1.24883 1.26248 1.28163 1.28627 1.29839 1.31307 1.31889 1.32169 1.33406 1.33911 1.34748 1.35731 1.36690 1.38982 1.39360 1.40046 1.40638 1.42062 1.42797 1.44709 1.45574 1.46368 1.47260 1.48266 1.48758 1.49497 1.51075 1.51564 1.51885 1.52457 1.52885 1.53694 1.54692 1.55547 1.55839 1.57026 1.57440 1.57870 1.58217 1.58729 1.59143 1.59789 1.60496 1.61153 1.61973 1.63186 1.63643 1.64133 1.65128 1.65938 1.66321 1.66994 1.67330 1.67801 1.68390 1.69097 1.69609 1.70541 1.70928 1.71925 1.72565 1.73017 1.73669 1.74325 1.74963 1.75202 1.76144 1.76701 1.77486 1.79316 1.80342 1.80892 1.81463 1.82773 1.83867 1.83941 1.85125 1.86640 1.86938 1.88125 1.88749 1.90243 1.91102 1.91894 1.92109 1.92512 1.92670 1.93493 1.93957 1.94938 1.95065 1.95626 1.97064 1.97574 1.98390 1.99087 1.99944 2.00344 2.00697 2.01208 2.02029 2.02654 2.03464 2.04184 2.04481 2.06226 2.06658 2.07625 2.09859 2.10728 2.11136 2.12169 2.13079 2.14634 2.15638 2.16755 2.18077 2.20230 2.22056 2.22475 2.23398 2.24054 2.26783 2.27940 2.28387 2.29888 2.31520 2.32361 2.33371 2.34031 2.34527 2.36006 2.36454 2.39421 2.40354 2.40833 2.41344 2.42413 2.43069 2.44179 2.46992 2.47727 2.48303 2.49450 2.50207 2.51475 2.51716 2.52404 2.53198 2.53883 2.54514 2.55631 2.59561 2.60698 2.61418 2.62466 2.63408 2.64125 2.64675 2.65319 2.65940 2.66538 2.67468 2.68883 2.70531 2.70874 2.72157 2.72409 2.73113 2.73806 2.74935 2.75395 2.75511 2.75716 2.76639 2.77528 2.78077 2.79062 2.79976 2.80903 2.81256 2.82106 2.82440 2.83306 2.83774 2.85149 2.85537 2.85937 2.87014 2.87482 2.88685 2.89002 2.90365 2.90563 2.91743 2.93013 2.93813 2.95752 2.96801 2.97925 2.98397 2.98989 2.99997 3.02031 3.03363 3.04369 3.07291 3.08673 3.09763 3.10918 3.12222 3.12897 3.14511 3.16473 3.16880 3.17716 3.19204 3.19702 3.20544 3.23580 3.26068 3.27749 3.28893 3.33301 3.35327 3.36713 3.38212 3.39059 3.40155 3.40739 3.44862 3.45887 3.52788 3.54779 3.55512 3.58094 3.60596 3.61532 3.62017 3.65315 3.67848 3.69087 3.71184 3.73158 3.78163 3.80476 3.82457 3.83950 3.84554 3.86045 3.99069 3.99727 4.00797 4.03136 4.03713 4.10734 4.12038 4.14312 4.15653 4.16300 4.17851 4.18515 4.25750 4.30385 4.32443 4.53515 4.55892 4.84657 4.85394 5.10944 5.14399 5.15936 5.30369 5.42322 5.44977 5.65111 5.89125 5.90886 9.79001 9.81792 23.54140 23.60285 23.63018 23.79755 23.83869 23.85979 23.87865 23.94496 23.95174 23.95578 23.96963 23.98706 23.99094 24.00386 24.07530 24.07881 24.09469 24.10455 24.18877 24.19217 24.19696 25.92970 25.94084 26.00551 26.14423 26.65486 26.68453 49.92259 49.98912 50.03734 215.78825 215.81746 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 Cl Cl O O O 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 H 0.164288 0.277634 0.064491 -0.176242 0.049654 0.317407 0.473083 -0.257238 -0.287459 -0.597826 -1.215518 -0.618612 0.053762 -0.036119 0.722575 0.853558 -0.394139 -1.337712 -0.290344 -0.128919 -0.801869 0.342066 -0.076338 0.160268 -0.081640 -0.176279 0.159462 0.177015 0.135675 0.150903 0.150138 0.146445 0.169694 0.145337 0.193328 0.167613 0.184672 0.149364 0.113385 0.130269 0.129365 0.163823 0.129228 0.148731 0.129924 0.123096 -0.00000 -1.35878530e-01 -7.36479174e-01 -1.06023489e+00 ./ancestor::cml:module[@dictRef='cc:finalization']/cml:molecule[@id='mol9999'] -0.3454 -1.8719 -2.6948 3.2993 -164.2059 -163.9746 -163.8022 -1.0250 7.9395 -3.0556 -0.2117 0.0196 0.1920 -1.0250 7.9395 -3.0556 -28.6366 -33.5430 10.6803 7.1233 -30.6953 -2.2947 12.5182 9.3493 -29.1120 -9.8012 -7250.3669 -4688.3486 -2233.8606 4.2258 101.2697 -110.0615 -40.1854 10.5459 2.4582 -1904.6987 -1483.3604 -1102.1593 -43.4232 -11.7333 4.5370 (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A) (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A) (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A) (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(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 -1958.6899786 7.267E-9 7.022E-6 1.8128218,-0.6246818,-1.1881401,-0.3119083,-6.1110584,-0.7882288 C01 [X(C21H20Cl2O3)] -0.0846116 0.9260137 0.9057053 0.000012476 0.000007109 -0.000002290 -0.000003323 0.000012453 0.000018115 -0.000010518 0.000009966 0.000003949 0.000000209 0.000005195 0.000012372 -0.000004446 0.000000571 0.000007643 0.000007736 -0.000016701 -0.000007111 0.000003646 0.000027973 -0.000016595 -0.000011253 -0.000001970 0.000017374 -0.000001576 0.000000163 -0.000001043 -0.000000338 0.000001589 0.000013338 0.000006942 0.000006585 0.000007260 0.000005409 -0.000012832 -0.000010707 -0.000019661 -0.000031866 -0.000021238 0.000015716 -0.000012238 -0.000012707 -0.000001358 0.000011050 0.000008488 0.000003036 -0.000008233 -0.000003000 -0.000000553 -0.000000641 -0.000000907 0.000002316 -0.000000462 0.000001553 0.000001022 -0.000002160 -0.000004176 -0.000000862 0.000002159 -0.000001965 0.000001676 0.000000805 -0.000012109 0.000003969 0.000001523 0.000000143 -0.000000450 0.000001208 -0.000003638 -0.000000029 -0.000002432 0.000000630 -0.000001160 0.000000777 0.000000563 -0.000000850 -0.000001344 0.000002304 0.000001593 -0.000000360 0.000004957 0.000000680 0.000000229 -0.000000921 -0.000000086 0.000000300 0.000002340 -0.000000613 0.000000326 0.000001803 -0.000001308 -0.000000129 0.000002283 0.000000437 0.000000286 -0.000000691 -0.000002942 -0.000001297 -0.000003085 -0.000001635 0.000001437 -0.000000806 0.000000255 -0.000001435 0.000001463 -0.000004446 0.000002734 0.000001517 0.000001722 0.000001449 -0.000000327 0.000000729 0.000000704 -0.000000079 0.000000644 0.000000365 -0.000001034 -0.000000044 0.000000741 -0.000000861 0.000000193 0.000000208 -0.000001874 -0.000002805 -0.000003065 0.000000418 -0.000000105 -0.000001969 0.000000545 -0.000001385 0.000001808 -0.000000014 0.000001811 -0.000000682 -0.000000563 -0.000000470 0.000000104 -0.000001321 371.1288999999997 AuxInfo=1/0/N:6;7;8;9;10;11;12;13;14;15;16;17;18;19;20;21;22;23;24;25;26;1;2;3;4;5;27;28;29;30;31;32;33;34;35;36;37;38;39;40;41;42;43;44;45;46/rA:46nCl0Cl0O0O0O0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:-4.0258,-1.0929,-.8749;-2.1754,-1.2104,-3.1458;1.1518,2.532,1.1499;.4113,2.5319,-.9805;2.762,-2.2701,.6227;-2.4417,2.6847,.2882;-2.1458,1.2045,.174;-1.124,2.1457,.84;-3.4659,3.0923,1.3327;-2.471,3.5499,-.9571;-1.8626,.5488,-1.1168;.186,2.423,.2042;-2.5878,-.4405,-1.6345;2.507,2.6691,.6612;3.0461,1.3721,.1018;2.6279,.1559,.6415;3.9768,1.3878,-.9372;3.1225,-1.0378,.1206;4.4897,.1874,-1.4273;4.0623,-1.0308,-.9089;1.5045,-2.4491,1.1747;.3459,-2.0491,.5083;1.4338,-3.1158,2.3943;-.8933,-2.318,1.0829;.1868,-3.3853,2.9562;-.9792,-2.9853,2.3052;-2.6726,.5782,.885;-1.0599,2.0579,1.9171;-3.4347,2.4434,2.2117;-3.287,4.1202,1.6631;-4.4746,3.0427,.9117;-2.303,4.5973,-.689;-1.7174,3.2659,-1.6875;-3.4571,3.4758,-1.4251;-1.0111,.8893,-1.6932;2.5472,3.458,-.0918;3.0688,2.9833,1.5424;1.9046,.1378,1.4459;4.2864,2.3303,-1.3749;5.2103,.1993,-2.2371;4.4318,-1.9745,-1.2904;.416,-1.5366,-.4433;2.3536,-3.4158,2.8812;-1.7944,-2.0173,.5648;.13,-3.9067,3.905;-1.9483,-3.1963,2.7421; Gaussian 16 GINC-BELVIS18 VALENTIN Optimization Permethrin-cis/ CONF22 gas EM64L-G16RevC.01 132 C1[X(C21H20Cl2O3)] 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 0 371.1288999999997 AuxInfo=1/0/N:6;7;8;9;10;11;12;13;14;15;16;17;18;19;20;21;22;23;24;25;26;1;2;3;4;5;27;28;29;30;31;32;33;34;35;36;37;38;39;40;41;42;43;44;45;46/rA:46nCl0Cl0O0O0O0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:-4.0258,-1.0929,-.8749;-2.1754,-1.2104,-3.1458;1.1518,2.532,1.1499;.4113,2.5319,-.9805;2.762,-2.2701,.6227;-2.4417,2.6847,.2882;-2.1458,1.2045,.174;-1.124,2.1457,.84;-3.4659,3.0923,1.3327;-2.471,3.5499,-.9571;-1.8626,.5488,-1.1168;.186,2.423,.2042;-2.5878,-.4405,-1.6345;2.507,2.6691,.6612;3.0461,1.3721,.1018;2.6279,.1559,.6415;3.9768,1.3878,-.9372;3.1225,-1.0378,.1206;4.4897,.1874,-1.4273;4.0623,-1.0308,-.9089;1.5045,-2.4491,1.1747;.3459,-2.0491,.5083;1.4338,-3.1158,2.3943;-.8933,-2.318,1.0829;.1868,-3.3853,2.9562;-.9792,-2.9853,2.3052;-2.6726,.5782,.885;-1.0599,2.0579,1.9171;-3.4347,2.4434,2.2117;-3.287,4.1202,1.6631;-4.4746,3.0427,.9117;-2.303,4.5973,-.689;-1.7174,3.2659,-1.6875;-3.4571,3.4758,-1.4251;-1.0111,.8893,-1.6932;2.5472,3.458,-.0918;3.0688,2.9833,1.5424;1.9046,.1378,1.4459;4.2864,2.3303,-1.3749;5.2103,.1993,-2.2371;4.4318,-1.9745,-1.2904;.416,-1.5366,-.4433;2.3536,-3.4158,2.8812;-1.7944,-2.0173,.5648;.13,-3.9067,3.905;-1.9483,-3.1963,2.7421; Optimization Permethrin-cis/ CONF22 gas 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 35 35 16 16 16 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 1 34.9688527 34.9688527 15.9949146 15.9949146 15.9949146 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 3 3 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 14.2400000 14.2400000 5.6000000 5.6000000 5.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 (Enter /usr/local/gaussian/gaussian16/g16/l101.exe) Structure from the checkpoint file: "/home/valentin/Almacen/Insecticides/G3/Permethrin-cis/gaussian/gas/CONF22/opt-b3lyp-pople.chk" Berny optimization. R1 R2 R3 R4 R5 R6 R7 R8 R9 R10 R11 R12 R13 R14 R15 R16 R17 R18 R19 R20 R21 R22 R23 R24 R25 R26 R27 R28 R29 R30 R31 R32 R33 R34 R35 R36 R37 R38 R39 R40 R41 R42 R43 R44 R45 R46 R47 R48 1 2 3 3 4 5 5 6 6 6 6 7 7 7 8 8 9 9 9 10 10 10 11 11 14 14 14 15 15 16 16 17 17 18 19 19 20 21 21 22 22 23 23 24 24 25 25 26 13 13 12 14 12 18 21 7 8 9 10 8 11 27 12 28 29 30 31 32 33 34 13 35 15 36 37 16 17 18 38 19 39 20 20 40 41 22 23 24 42 25 43 26 44 26 45 46 1.7523 1.7455 1.356 1.4472 1.2108 1.3786 1.3849 1.5138 1.5268 1.5186 1.5166 1.5406 1.4753 1.0841 1.4823 1.0826 1.093 1.0944 1.0942 1.0941 1.0873 1.0941 1.3315 1.0831 1.5119 1.0913 1.0913 1.3947 1.395 1.3931 1.082 1.3944 1.0843 1.3939 1.3912 1.084 1.0828 1.3952 1.3918 1.3921 1.0831 1.394 1.0831 1.3953 1.082 1.3941 1.0841 1.0838 calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|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 12 18 7 7 8 8 9 6 6 8 8 11 6 6 7 7 12 6 6 6 29 29 30 6 6 6 32 32 33 7 7 13 3 3 4 1 1 2 3 3 3 15 15 36 14 14 16 15 15 18 15 15 19 5 5 16 17 17 20 18 18 19 5 5 22 21 21 24 21 21 25 22 22 26 23 23 26 24 24 25 3 5 6 6 6 6 6 7 7 7 7 7 8 8 8 8 8 9 9 9 9 9 9 10 10 10 10 10 10 11 11 11 12 12 12 13 13 13 14 14 14 14 14 14 15 15 15 16 16 16 17 17 17 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 14 21 9 10 9 10 10 11 27 11 27 27 12 28 12 28 28 29 30 31 30 31 31 32 33 34 33 34 34 13 35 35 4 8 8 2 11 11 15 36 37 36 37 37 16 17 17 18 38 38 19 39 39 16 20 20 20 40 40 19 41 41 22 23 23 24 42 42 25 43 43 26 44 44 26 45 45 25 46 46 116.0395 119.8779 116.4939 119.9768 115.3574 120.985 113.4909 122.5563 114.8655 121.4928 113.0646 114.2276 122.7974 116.0594 121.0033 114.8257 112.9228 111.9956 110.4553 110.1762 108.0685 107.9908 108.0268 109.9971 112.9044 109.2722 107.9545 107.939 108.6415 124.4625 118.4784 117.0586 122.8651 110.2026 126.9288 113.8952 123.7149 122.3895 112.1852 109.6376 103.69 110.5918 111.2339 109.2719 119.8669 120.2519 119.8728 119.7371 120.1797 120.0675 119.8366 120.0635 120.0899 122.4716 116.7259 120.7454 120.6508 119.8454 119.4861 119.1257 119.0717 121.7994 121.773 117.2172 120.9126 119.1239 120.1035 120.7726 119.4238 118.9128 121.663 120.5799 119.3436 120.0701 120.2989 119.5117 120.1893 119.6592 120.0857 120.2541 calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically D1 D2 D3 D4 D5 D6 D7 D8 D9 D10 D11 D12 D13 D14 D15 D16 D17 D18 D19 D20 D21 D22 D23 D24 D25 D26 D27 D28 D29 D30 D31 D32 D33 D34 D35 D36 D37 D38 D39 D40 D41 D42 D43 D44 D45 D46 D47 D48 D49 D50 D51 D52 D53 D54 D55 D56 D57 D58 D59 D60 D61 D62 D63 D64 D65 D66 D67 D68 D69 D70 D71 D72 D73 D74 D75 D76 D77 D78 D79 D80 D81 D82 D83 D84 D85 D86 D87 D88 D89 D90 D91 D92 D93 D94 D95 D96 D97 D98 D99 D100 D101 D102 D103 D104 D105 D106 D107 D108 D109 14 14 12 12 12 21 21 18 18 9 9 10 10 9 9 10 10 7 7 7 8 8 8 10 10 10 7 7 7 8 8 8 9 9 9 11 11 27 27 6 6 8 8 27 27 6 6 7 7 28 28 7 7 35 35 3 3 36 36 37 37 14 14 17 17 14 14 16 16 15 15 38 38 15 15 39 39 5 5 16 16 17 17 40 40 5 5 23 23 5 5 22 22 21 21 42 42 21 21 43 43 22 22 44 44 23 23 45 45 3 3 3 3 3 5 5 5 5 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 7 7 7 7 7 7 7 7 7 7 8 8 8 8 8 8 11 11 11 11 14 14 14 14 14 14 15 15 15 15 15 15 15 15 16 16 16 16 17 17 17 17 18 18 18 18 19 19 19 19 21 21 21 21 21 21 21 21 22 22 22 22 23 23 23 23 24 24 24 24 25 25 25 25 12 12 14 14 14 18 18 21 21 7 7 7 7 8 8 8 8 9 9 9 9 9 9 9 9 9 10 10 10 10 10 10 10 10 10 8 8 8 8 11 11 11 11 11 11 12 12 12 12 12 12 13 13 13 13 15 15 15 15 15 15 16 16 16 16 17 17 17 17 18 18 18 18 19 19 19 19 20 20 20 20 20 20 20 20 22 22 22 22 23 23 23 23 24 24 24 24 25 25 25 25 26 26 26 26 26 26 26 26 4 8 15 36 37 16 20 22 23 11 27 11 27 12 28 12 28 29 30 31 29 30 31 29 30 31 32 33 34 32 33 34 32 33 34 12 28 12 28 13 35 13 35 13 35 3 4 3 4 3 4 1 2 1 2 16 17 16 17 16 17 18 38 18 38 19 39 19 39 5 20 5 20 20 40 20 40 19 41 19 41 18 41 18 41 24 42 24 42 25 43 25 43 26 44 26 44 26 45 26 45 25 46 25 46 24 46 24 46 -5.3685 174.0013 -73.3235 49.9607 166.5505 30.8371 -151.895 49.8504 -133.7043 144.0345 -2.3225 0.745 -145.612 -143.2794 2.9126 -0.2338 145.9583 33.4352 153.9445 -86.7845 -35.131 85.3783 -155.3507 179.0608 -60.4299 58.8411 -157.8035 -37.1481 83.8719 -85.7938 34.8616 155.8815 57.8823 178.5377 -60.4424 -0.1413 -141.281 141.4795 0.3398 -119.757 60.0143 168.0077 -12.221 26.7932 -153.4355 145.6351 -35.027 -143.3073 36.0305 -1.497 177.8408 1.6372 -178.1232 -178.1371 2.1025 -31.8423 149.2131 -154.5887 26.4667 83.794 -95.1506 179.7542 1.1959 -1.2972 -179.8555 178.638 -2.5075 -0.3066 178.548 179.0844 1.9238 -2.3556 -179.5162 1.3203 179.7833 -177.534 0.929 -178.2381 2.4094 -0.9199 179.7275 -0.7081 178.6261 -179.1766 0.1577 176.7014 -3.2942 0.3861 -179.6096 -176.5414 3.2216 -0.0636 179.6993 -0.3716 -179.4509 179.624 0.5447 -0.2777 179.8534 179.9661 0.0973 0.037 -179.5986 179.1096 -0.5259 0.2913 179.9262 -179.8408 -0.2059 calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|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. 0.00102 0.00154 0.00180 0.00247 0.00253 0.00485 0.01271 0.01615 0.01686 0.01740 0.01756 0.01766 0.01768 0.01860 0.01979 0.02039 0.02060 0.02130 0.02176 0.02254 0.02307 0.02353 0.02384 0.02506 0.02597 0.02730 0.02883 0.02911 0.02962 0.02990 0.03020 0.03272 0.03540 0.03851 0.04473 0.04487 0.04596 0.04712 0.05224 0.05725 0.05980 0.06294 0.06343 0.07253 0.09072 0.09922 0.10668 0.10762 0.10828 0.11229 0.11440 0.11716 0.11906 0.12019 0.12174 0.12185 0.12387 0.12428 0.12568 0.12853 0.13716 0.14166 0.14720 0.15197 0.15743 0.16135 0.16927 0.17665 0.18167 0.18245 0.18519 0.18901 0.19185 0.19392 0.19624 0.20098 0.21415 0.21734 0.21844 0.22240 0.22379 0.23266 0.24105 0.25486 0.26538 0.26676 0.28024 0.29407 0.29597 0.30144 0.30403 0.31712 0.32533 0.32902 0.33025 0.33044 0.33237 0.33436 0.33650 0.33805 0.34073 0.34340 0.35160 0.35335 0.35372 0.35414 0.35502 0.35578 0.35675 0.35809 0.35878 0.35946 0.36002 0.36037 0.36263 0.36939 0.39037 0.39967 0.41002 0.41433 0.43342 0.46104 0.46230 0.46508 0.46662 0.46853 0.48501 0.50807 0.52005 0.62078 0.83726 1.20091 Angle between quadratic step and forces= 76.31 degrees. 1 2 0.00039368 0.00000010 0.00000005 0.00000000 R1 R2 R3 R4 R5 R6 R7 R8 R9 R10 R11 R12 R13 R14 R15 R16 R17 R18 R19 R20 R21 R22 R23 R24 R25 R26 R27 R28 R29 R30 R31 R32 R33 R34 R35 R36 R37 R38 R39 R40 R41 R42 R43 R44 R45 R46 R47 R48 A1 A2 A3 A4 A5 A6 A7 A8 A9 A10 A11 A12 A13 A14 A15 A16 A17 A18 A19 A20 A21 A22 A23 A24 A25 A26 A27 A28 A29 A30 A31 A32 A33 A34 A35 A36 A37 A38 A39 A40 A41 A42 A43 A44 A45 A46 A47 A48 A49 A50 A51 A52 A53 A54 A55 A56 A57 A58 A59 A60 A61 A62 A63 A64 A65 A66 A67 A68 A69 A70 A71 A72 A73 A74 A75 A76 A77 A78 A79 A80 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 3.31129 3.29848 2.56255 2.73473 2.28814 2.60517 2.61716 2.86076 2.88523 2.86978 2.86602 2.91134 2.78788 2.04859 2.80123 2.04575 2.06541 2.06811 2.06766 2.06760 2.05462 2.06746 2.51609 2.04676 2.85710 2.06219 2.06216 2.63566 2.63610 2.63260 2.04463 2.63502 2.04911 2.63414 2.62908 2.04852 2.04626 2.63646 2.63003 2.63077 2.04672 2.63428 2.04679 2.63667 2.04471 2.63438 2.04874 2.04801 2.02527 2.09226 2.03320 2.09399 2.01337 2.11159 1.98079 2.13901 2.00478 2.12045 1.97335 1.99365 2.14322 2.02562 2.11191 2.00409 1.97088 1.95469 1.92781 1.92294 1.88615 1.88480 1.88542 1.91981 1.97055 1.90716 1.88416 1.88389 1.89615 2.17228 2.06784 2.04306 2.14440 1.92340 2.21533 1.98785 2.15923 2.13610 1.95800 1.91354 1.80973 1.93019 1.94140 1.90715 2.09207 2.09879 2.09218 2.08981 2.09753 2.09557 2.09154 2.09550 2.09596 2.13753 2.03725 2.10740 2.10575 2.09170 2.08543 2.07914 2.07819 2.12580 2.12534 2.04583 2.11032 2.07910 2.09620 2.10788 2.08434 2.07542 2.12342 2.10452 2.08294 2.09562 2.09961 2.08587 2.09770 2.08845 2.09589 2.09883 -0.09370 3.03690 -1.27974 0.87198 2.90685 0.53821 -2.65107 0.87005 -2.33358 2.51388 -0.04054 0.01300 -2.54141 -2.50070 0.05083 -0.00408 2.54745 0.58355 2.68684 -1.51468 -0.61315 1.49013 -2.71138 3.12520 -1.05470 1.02697 -2.75419 -0.64836 1.46384 -1.49739 0.60845 2.72065 1.01024 3.11607 -1.05492 -0.00247 -2.46582 2.46928 0.00593 -2.09015 1.04745 2.93229 -0.21330 0.46763 -2.67795 2.54181 -0.61134 -2.50118 0.62885 -0.02613 3.10391 0.02857 -3.10884 -3.10908 0.03670 -0.55575 2.60426 -2.69808 0.46193 1.46248 -1.66069 3.13730 0.02087 -0.02264 -3.13907 3.11782 -0.04376 -0.00535 3.11625 3.12561 0.03358 -0.04111 -3.13315 0.02304 3.13781 -3.09855 0.01621 -3.11084 0.04205 -0.01606 3.13684 -0.01236 3.11761 -3.12722 0.00275 3.08402 -0.05750 0.00674 -3.13478 -3.08123 0.05623 -0.00111 3.13634 -0.00649 -3.13201 3.13503 0.00951 -0.00485 3.13903 3.14100 0.00170 0.00065 -3.13459 3.12605 -0.00918 0.00508 3.14030 -3.13881 -0.00359 -0.00001 -0.00002 -0.00000 0.00001 -0.00001 0.00000 -0.00000 -0.00001 -0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00001 -0.00000 0.00000 0.00000 0.00000 -0.00000 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 0.00001 -0.00000 0.00001 -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 -0.00001 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 -0.00001 0.00001 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 0.00001 -0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00001 0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00001 -0.00001 0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00006 -0.00010 0.00001 0.00006 -0.00001 0.00001 -0.00001 -0.00009 0.00002 0.00002 -0.00002 -0.00001 0.00001 0.00001 0.00002 -0.00001 0.00000 0.00000 0.00000 -0.00000 0.00001 0.00001 0.00004 -0.00000 -0.00003 -0.00000 0.00000 0.00001 0.00001 -0.00001 0.00000 0.00000 0.00000 -0.00000 0.00001 -0.00000 0.00000 -0.00001 0.00001 0.00001 -0.00001 -0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00004 -0.00001 -0.00000 0.00005 -0.00000 0.00000 -0.00003 0.00012 -0.00005 0.00008 -0.00010 -0.00005 -0.00007 0.00004 -0.00006 0.00005 0.00004 0.00001 0.00001 0.00001 -0.00001 -0.00001 -0.00000 0.00004 0.00001 -0.00001 0.00000 -0.00001 -0.00004 -0.00001 0.00001 0.00001 -0.00002 0.00004 -0.00002 0.00005 -0.00003 -0.00002 -0.00000 -0.00005 0.00000 0.00004 0.00002 -0.00001 0.00002 0.00000 -0.00003 0.00002 -0.00001 -0.00001 0.00001 0.00000 -0.00001 -0.00005 0.00005 -0.00000 -0.00000 -0.00001 0.00001 -0.00000 0.00001 -0.00001 0.00005 -0.00002 -0.00002 0.00000 0.00002 -0.00003 0.00002 0.00001 -0.00003 0.00002 -0.00001 -0.00001 -0.00000 -0.00001 0.00002 -0.00002 -0.00001 0.00002 -0.00023 -0.00015 -0.00007 -0.00006 -0.00009 0.00040 0.00042 -0.00019 -0.00014 -0.00007 -0.00009 -0.00008 -0.00009 -0.00006 -0.00003 -0.00012 -0.00009 0.00021 0.00021 0.00021 0.00020 0.00020 0.00020 0.00025 0.00024 0.00025 0.00063 0.00067 0.00062 0.00066 0.00070 0.00066 0.00062 0.00066 0.00061 0.00021 0.00015 0.00008 0.00002 0.00020 0.00022 0.00007 0.00009 0.00021 0.00024 -0.00018 -0.00010 -0.00028 -0.00020 -0.00021 -0.00013 -0.00003 -0.00001 -0.00005 -0.00003 0.00013 0.00007 0.00016 0.00011 0.00014 0.00008 -0.00006 -0.00004 -0.00001 0.00001 0.00006 0.00006 0.00000 0.00000 0.00002 0.00000 0.00000 -0.00001 0.00001 0.00001 0.00000 0.00000 -0.00001 -0.00000 0.00001 0.00001 -0.00001 -0.00001 -0.00001 -0.00001 0.00006 0.00009 0.00001 0.00003 -0.00006 -0.00006 -0.00001 -0.00000 0.00001 -0.00003 -0.00002 -0.00006 0.00001 0.00001 -0.00000 -0.00000 -0.00001 -0.00001 0.00002 0.00003 0.00000 -0.00000 0.00001 0.00000 -0.00006 -0.00010 0.00001 0.00006 -0.00001 0.00001 -0.00001 -0.00009 0.00002 0.00002 -0.00002 -0.00001 0.00001 0.00001 0.00002 -0.00001 0.00000 0.00000 0.00000 -0.00000 0.00001 0.00001 0.00004 -0.00000 -0.00003 -0.00000 0.00000 0.00001 0.00001 -0.00001 0.00000 0.00000 0.00000 -0.00000 0.00001 -0.00000 0.00000 -0.00001 0.00001 0.00001 -0.00001 -0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00004 -0.00001 -0.00000 0.00005 -0.00000 0.00000 -0.00003 0.00012 -0.00005 0.00008 -0.00010 -0.00005 -0.00007 0.00004 -0.00006 0.00005 0.00004 0.00001 0.00001 0.00001 -0.00001 -0.00001 -0.00000 0.00004 0.00001 -0.00001 0.00000 -0.00001 -0.00004 -0.00001 0.00001 0.00001 -0.00002 0.00004 -0.00002 0.00005 -0.00003 -0.00002 -0.00000 -0.00005 0.00000 0.00004 0.00002 -0.00001 0.00002 0.00000 -0.00003 0.00002 -0.00001 -0.00001 0.00001 0.00000 -0.00001 -0.00005 0.00005 -0.00000 -0.00000 -0.00001 0.00001 -0.00000 0.00001 -0.00001 0.00005 -0.00002 -0.00002 0.00000 0.00002 -0.00003 0.00002 0.00001 -0.00003 0.00002 -0.00001 -0.00001 -0.00000 -0.00001 0.00002 -0.00002 -0.00001 0.00002 -0.00023 -0.00015 -0.00007 -0.00006 -0.00009 0.00040 0.00042 -0.00019 -0.00014 -0.00007 -0.00009 -0.00008 -0.00009 -0.00006 -0.00003 -0.00012 -0.00009 0.00021 0.00021 0.00021 0.00020 0.00020 0.00020 0.00025 0.00024 0.00025 0.00063 0.00067 0.00062 0.00066 0.00070 0.00066 0.00062 0.00066 0.00061 0.00021 0.00015 0.00008 0.00002 0.00020 0.00022 0.00007 0.00009 0.00021 0.00024 -0.00018 -0.00010 -0.00028 -0.00020 -0.00021 -0.00013 -0.00003 -0.00001 -0.00005 -0.00003 0.00013 0.00007 0.00016 0.00011 0.00014 0.00008 -0.00006 -0.00004 -0.00001 0.00001 0.00006 0.00006 0.00000 0.00000 0.00002 0.00000 0.00000 -0.00001 0.00001 0.00001 0.00000 0.00000 -0.00001 -0.00000 0.00001 0.00001 -0.00001 -0.00001 -0.00001 -0.00001 0.00006 0.00009 0.00001 0.00003 -0.00006 -0.00006 -0.00001 -0.00000 0.00001 -0.00003 -0.00002 -0.00006 0.00001 0.00001 -0.00000 -0.00000 -0.00001 -0.00001 0.00002 0.00003 0.00000 -0.00000 0.00001 0.00000 3.31123 3.29838 2.56256 2.73479 2.28813 2.60518 2.61715 2.86067 2.88525 2.86980 2.86600 2.91134 2.78789 2.04861 2.80124 2.04574 2.06541 2.06812 2.06766 2.06759 2.05463 2.06746 2.51613 2.04676 2.85707 2.06219 2.06217 2.63567 2.63611 2.63259 2.04464 2.63502 2.04911 2.63414 2.62908 2.04852 2.04627 2.63646 2.63004 2.63078 2.04671 2.63428 2.04679 2.63667 2.04471 2.63438 2.04874 2.04801 2.02523 2.09225 2.03320 2.09404 2.01336 2.11159 1.98076 2.13914 2.00473 2.12053 1.97325 1.99360 2.14315 2.02566 2.11185 2.00413 1.97091 1.95470 1.92782 1.92294 1.88614 1.88479 1.88542 1.91985 1.97056 1.90716 1.88417 1.88388 1.89611 2.17227 2.06785 2.04306 2.14438 1.92344 2.21530 1.98789 2.15920 2.13608 1.95800 1.91349 1.80973 1.93023 1.94142 1.90714 2.09209 2.09880 2.09215 2.08983 2.09752 2.09556 2.09156 2.09551 2.09595 2.13749 2.03730 2.10740 2.10575 2.09169 2.08543 2.07913 2.07821 2.12579 2.12539 2.04580 2.11030 2.07910 2.09623 2.10785 2.08436 2.07543 2.12339 2.10453 2.08293 2.09561 2.09961 2.08586 2.09771 2.08843 2.09588 2.09885 -0.09392 3.03675 -1.27981 0.87192 2.90676 0.53861 -2.65065 0.86987 -2.33372 2.51381 -0.04062 0.01293 -2.54150 -2.50076 0.05081 -0.00420 2.54737 0.58377 2.68705 -1.51446 -0.61295 1.49033 -2.71118 3.12545 -1.05446 1.02722 -2.75356 -0.64769 1.46446 -1.49672 0.60915 2.72130 1.01085 3.11673 -1.05431 -0.00226 -2.46567 2.46937 0.00595 -2.08996 1.04767 2.93236 -0.21320 0.46784 -2.67772 2.54164 -0.61143 -2.50146 0.62866 -0.02634 3.10378 0.02855 -3.10884 -3.10913 0.03667 -0.55563 2.60433 -2.69792 0.46204 1.46262 -1.66061 3.13724 0.02083 -0.02265 -3.13906 3.11788 -0.04371 -0.00535 3.11625 3.12563 0.03358 -0.04111 -3.13316 0.02305 3.13782 -3.09855 0.01622 -3.11085 0.04205 -0.01605 3.13685 -0.01237 3.11760 -3.12723 0.00274 3.08408 -0.05741 0.00674 -3.13474 -3.08129 0.05617 -0.00112 3.13634 -0.00648 -3.13204 3.13501 0.00945 -0.00484 3.13904 3.14100 0.00169 0.00063 -3.13459 3.12608 -0.00915 0.00509 3.14030 -3.13881 -0.00359 |Maximum Force|RMS Force|Maximum Displacement|RMS Displacement| 0.000021 0.000003 0.001397 0.000394 0.000450 0.000300 0.001800 0.001200 YES YES YES YES -1.492941e-08 Optimization completed. -- Stationary point found. R1 R2 R3 R4 R5 R6 R7 R8 R9 R10 R11 R12 R13 R14 R15 R16 R17 R18 R19 R20 R21 R22 R23 R24 R25 R26 R27 R28 R29 R30 R31 R32 R33 R34 R35 R36 R37 R38 R39 R40 R41 R42 R43 R44 R45 R46 R47 R48 1 2 3 3 4 5 5 6 6 6 6 7 7 7 8 8 9 9 9 10 10 10 11 11 14 14 14 15 15 16 16 17 17 18 19 19 20 21 21 22 22 23 23 24 24 25 25 26 13 13 12 14 12 18 21 7 8 9 10 8 11 27 12 28 29 30 31 32 33 34 13 35 15 36 37 16 17 18 38 19 39 20 20 40 41 22 23 24 42 25 43 26 44 26 45 46 1.7523 1.7455 1.356 1.4472 1.2108 1.3786 1.3849 1.5138 1.5268 1.5186 1.5166 1.5406 1.4753 1.0841 1.4823 1.0826 1.093 1.0944 1.0942 1.0941 1.0873 1.0941 1.3315 1.0831 1.5119 1.0913 1.0913 1.3947 1.395 1.3931 1.082 1.3944 1.0843 1.3939 1.3912 1.084 1.0828 1.3952 1.3918 1.3921 1.0831 1.394 1.0831 1.3953 1.082 1.3941 1.0841 1.0838 -DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-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 12 18 7 7 8 8 9 6 6 8 8 11 6 6 7 7 12 6 6 6 29 29 30 6 6 6 32 32 33 7 7 13 3 3 4 1 1 2 3 3 3 15 15 36 14 14 16 15 15 18 15 15 19 5 5 16 17 17 20 18 18 19 5 5 22 21 21 24 21 21 25 22 22 26 23 23 26 24 24 25 3 5 6 6 6 6 6 7 7 7 7 7 8 8 8 8 8 9 9 9 9 9 9 10 10 10 10 10 10 11 11 11 12 12 12 13 13 13 14 14 14 14 14 14 15 15 15 16 16 16 17 17 17 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 14 21 9 10 9 10 10 11 27 11 27 27 12 28 12 28 28 29 30 31 30 31 31 32 33 34 33 34 34 13 35 35 4 8 8 2 11 11 15 36 37 36 37 37 16 17 17 18 38 38 19 39 39 16 20 20 20 40 40 19 41 41 22 23 23 24 42 42 25 43 43 26 44 44 26 45 45 25 46 46 116.0395 119.8779 116.4939 119.9768 115.3574 120.985 113.4909 122.5563 114.8655 121.4928 113.0646 114.2276 122.7974 116.0594 121.0033 114.8257 112.9228 111.9956 110.4553 110.1762 108.0685 107.9908 108.0268 109.9971 112.9044 109.2722 107.9545 107.939 108.6415 124.4625 118.4784 117.0586 122.8651 110.2026 126.9288 113.8952 123.7149 122.3895 112.1852 109.6376 103.69 110.5918 111.2339 109.2719 119.8669 120.2519 119.8728 119.7371 120.1797 120.0675 119.8366 120.0635 120.0899 122.4716 116.7259 120.7454 120.6508 119.8454 119.4861 119.1257 119.0717 121.7994 121.773 117.2172 120.9126 119.1239 120.1035 120.7726 119.4238 118.9128 121.663 120.5799 119.3436 120.0701 120.2989 119.5117 120.1893 119.6592 120.0857 120.2541 -DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0 D1 D2 D3 D4 D5 D6 D7 D8 D9 D10 D11 D12 D13 D14 D15 D16 D17 D18 D19 D20 D21 D22 D23 D24 D25 D26 D27 D28 D29 D30 D31 D32 D33 D34 D35 D36 D37 D38 D39 D40 D41 D42 D43 D44 D45 D46 D47 D48 D49 D50 D51 D52 D53 D54 D55 D56 D57 D58 D59 D60 D61 D62 D63 D64 D65 D66 D67 D68 D69 D70 D71 D72 D73 D74 D75 D76 D77 D78 D79 D80 D81 D82 D83 D84 D85 D86 D87 D88 D89 D90 D91 D92 D93 D94 D95 D96 D97 D98 D99 D100 D101 D102 D103 D104 D105 D106 D107 D108 14 14 12 12 12 21 21 18 18 9 9 10 10 9 9 10 10 7 7 7 8 8 8 10 10 10 7 7 7 8 8 8 9 9 9 11 11 27 27 6 6 8 8 27 27 6 6 7 7 28 28 7 7 35 35 3 3 36 36 37 37 14 14 17 17 14 14 16 16 15 15 38 38 15 15 39 39 5 5 16 16 17 17 40 40 5 5 23 23 5 5 22 22 21 21 42 42 21 21 43 43 22 22 44 44 23 23 45 3 3 3 3 3 5 5 5 5 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 7 7 7 7 7 7 7 7 7 7 8 8 8 8 8 8 11 11 11 11 14 14 14 14 14 14 15 15 15 15 15 15 15 15 16 16 16 16 17 17 17 17 18 18 18 18 19 19 19 19 21 21 21 21 21 21 21 21 22 22 22 22 23 23 23 23 24 24 24 24 25 25 25 12 12 14 14 14 18 18 21 21 7 7 7 7 8 8 8 8 9 9 9 9 9 9 9 9 9 10 10 10 10 10 10 10 10 10 8 8 8 8 11 11 11 11 11 11 12 12 12 12 12 12 13 13 13 13 15 15 15 15 15 15 16 16 16 16 17 17 17 17 18 18 18 18 19 19 19 19 20 20 20 20 20 20 20 20 22 22 22 22 23 23 23 23 24 24 24 24 25 25 25 25 26 26 26 26 26 26 26 4 8 15 36 37 16 20 22 23 11 27 11 27 12 28 12 28 29 30 31 29 30 31 29 30 31 32 33 34 32 33 34 32 33 34 12 28 12 28 13 35 13 35 13 35 3 4 3 4 3 4 1 2 1 2 16 17 16 17 16 17 18 38 18 38 19 39 19 39 5 20 5 20 20 40 20 40 19 41 19 41 18 41 18 41 24 42 24 42 25 43 25 43 26 44 26 44 26 45 26 45 25 46 25 46 24 46 24 -5.3685 174.0013 -73.3235 49.9607 166.5505 30.8371 -151.895 49.8504 -133.7043 144.0345 -2.3225 0.745 -145.612 -143.2794 2.9126 -0.2338 145.9583 33.4352 153.9445 -86.7845 -35.131 85.3783 -155.3507 179.0608 -60.4299 58.8411 -157.8035 -37.1481 83.8719 -85.7938 34.8616 155.8815 57.8823 178.5377 -60.4424 -0.1413 -141.281 141.4795 0.3398 -119.757 60.0143 168.0077 -12.221 26.7932 -153.4355 145.6351 -35.027 -143.3073 36.0305 -1.497 177.8408 1.6372 -178.1232 -178.1371 2.1025 -31.8423 149.2131 -154.5887 26.4667 83.794 -95.1506 179.7542 1.1959 -1.2972 -179.8555 178.638 -2.5075 -0.3066 178.548 179.0844 1.9238 -2.3556 -179.5162 1.3203 179.7833 -177.534 0.929 -178.2381 2.4094 -0.9199 179.7275 -0.7081 178.6261 -179.1766 0.1577 176.7014 -3.2942 0.3861 -179.6096 -176.5414 3.2216 -0.0636 179.6993 -0.3716 -179.4509 179.624 0.5447 -0.2777 179.8534 179.9661 0.0973 0.037 -179.5986 179.1096 -0.5259 0.2913 179.9262 -179.8408 -DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0 1 6-311+G(d,p) (5D, 7F) 0.10000e-02 0.10000e-05 F 734 A 708 A 708 1130 734 102 102 2645.9965227064 46 46 46 1.00e+00 60 F IExCor= 402 DFT=T Ex+Corr=B3LYP ExCW=0 ScaHFX= 0.200000 ScaDFX= 0.800000 0.720000 1.000000 0.810000 ScalE2= 1.000000 1.000000 IRadAn= 5 IRanWt= -1 IRanGd= 0 ICorTp=0 IEmpDi=131 Grimme-D3 -0.0554971365 0.000000 2.931711 0.000000 6.636762 6.597636 0.000000 5.730413 5.038277 2.255439 0.000000 7.049962 6.300917 5.092188 5.581634 0.000000 4.258260 5.199578 3.698450 3.126027 7.193021 0.000000 3.148367 4.105328 3.686322 3.103821 6.029954 1.513847 0.000000 4.674323 5.315554 2.329067 2.412521 5.886181 1.526797 1.540617 0.000000 4.764751 6.343191 4.655137 4.549439 8.248980 1.518621 2.578584 2.573574 0.000000 4.896940 5.247740 4.312769 3.056832 7.984458 1.516635 2.624168 2.648677 2.538210 0.000000 2.726385 2.703578 4.261157 3.020200 5.688394 2.621424 1.475285 2.631463 3.878224 3.066376 0.000000 5.591565 5.477307 1.356042 1.210832 5.369867 2.642029 2.631251 1.482345 3.880488 3.110999 3.074857 0.000000 1.752259 1.745481 5.529363 4.272900 6.087921 3.672285 2.484410 3.867105 4.696449 4.049235 1.331459 4.390380 0.000000 7.693442 7.174138 1.447158 2.665683 4.945901 4.962679 4.902166 3.672886 6.025392 5.307969 5.172030 2.378250 6.395104 0.000000 7.552609 6.669367 2.456116 3.075560 3.690140 5.645661 5.195178 4.305056 6.846960 6.025173 5.124261 3.048776 6.167828 1.511910 0.000000 6.937643 6.267567 2.843137 3.631799 2.429711 5.676324 4.909901 4.251588 6.799656 6.330402 4.838453 3.360652 5.721939 2.516220 1.394731 0.000000 8.378466 7.034038 3.694041 3.744827 4.157977 6.661822 6.225344 5.454438 7.965640 6.800639 5.902033 4.091967 6.850056 2.521288 1.394963 2.414397 0.000000 7.217522 6.226350 4.205541 4.615851 1.378597 6.696672 5.725944 5.355863 7.869840 7.314094 5.375836 4.539507 6.003827 3.796335 2.411139 1.393112 2.780677 0.000000 8.628898 7.023554 4.825070 4.725475 3.636833 7.564626 6.901402 6.363146 8.907766 7.744604 6.370101 5.116795 7.108365 3.801594 2.413662 2.783404 1.394392 2.401339 0.000000 8.088373 6.629069 5.040174 5.101774 2.360508 7.585483 6.686556 6.328230 8.871221 7.979293 6.135310 5.309733 6.715596 4.309710 2.797860 2.422661 2.420307 1.393928 1.391248 0.000000 6.051774 5.808836 4.993569 5.536231 1.384942 6.535576 5.260669 5.304046 7.445571 7.505778 5.057184 5.139769 5.354764 5.240639 4.257783 2.886537 5.029289 2.391824 4.757412 3.590945 0.000000 4.683909 4.518025 4.695459 4.817269 2.428858 5.497993 4.111709 4.457227 6.453174 6.436694 3.777179 4.485279 3.973174 5.191825 4.377304 3.176059 5.204314 2.980397 5.091131 4.105686 1.395155 0.000000 6.677314 6.881092 5.790106 6.658163 2.370271 7.287023 6.033913 6.053231 7.979619 8.420853 6.051687 6.085368 6.289867 6.133565 5.291135 3.898995 6.152083 3.512784 5.903792 4.708192 1.391754 2.424556 0.000000 3.891770 4.555430 5.263904 5.429575 3.684455 5.296763 3.847376 4.476199 5.995961 6.409556 3.741141 4.941030 3.712224 6.050665 5.486152 4.325947 6.444451 4.323397 6.446293 5.493770 2.403145 1.392142 2.787796 0.000000 6.138230 6.895226 6.261583 7.110585 3.649733 7.132440 5.852126 6.065324 7.611622 8.394897 6.022117 6.427234 6.119248 6.877910 6.241417 4.884310 7.232175 4.708449 7.105915 5.958288 2.405500 2.793366 1.394001 2.411462 0.000000 4.793276 5.856112 6.026303 6.570279 4.163998 6.193259 4.843268 5.338089 6.638296 7.455010 4.998010 5.917933 4.958343 6.843161 6.328107 5.064227 7.361987 5.038787 7.342115 6.290194 2.781056 2.420988 2.418153 1.395266 1.394052 0.000000 2.778583 4.437724 4.302743 4.099671 6.141348 2.201610 1.084069 2.203933 2.674070 3.502164 2.159691 3.469708 2.718999 5.590205 5.826469 5.322933 6.941929 6.064609 7.536479 7.153021 5.166858 4.019436 5.725911 3.404799 5.308023 4.193227 0.000000 5.149685 6.128543 2.388420 3.283984 5.917236 2.226040 2.223946 1.082562 2.683339 3.532397 3.482287 2.149266 4.603366 3.830556 4.541445 4.341065 5.827839 5.504838 6.744022 6.615349 5.238334 4.563832 5.763129 4.457814 5.680012 5.058835 2.419899 0.000000 4.730934 6.605986 4.708599 4.998916 7.946120 2.178095 2.710766 2.703607 1.092968 3.492013 4.140089 4.140060 4.881382 6.144798 6.899309 6.667380 8.121567 7.712893 9.007136 8.832500 7.029038 6.113688 7.391912 5.513948 6.902408 5.958996 2.412488 2.423884 0.000000 5.844951 7.264772 4.742227 4.815463 8.860495 2.159992 3.467158 3.042174 1.094399 2.802964 4.744715 4.131708 5.671303 6.056401 7.078041 7.193492 8.184775 8.370575 9.246381 9.335980 8.145690 7.252021 8.670645 6.893205 8.370864 7.498448 3.678169 3.045905 1.770386 0.000000 4.527254 6.311738 5.654500 5.264266 8.982003 2.156293 3.057139 3.469280 1.094159 2.786380 4.142099 4.754559 4.709100 6.996024 7.746465 7.671526 8.808080 8.659794 9.694430 9.632533 8.122660 7.023226 8.662195 6.449115 8.199205 7.106075 3.053114 3.693331 1.769320 1.770882 0.000000 5.948204 6.307294 4.425262 3.423194 8.633401 2.152259 3.504429 3.120626 2.775766 1.094125 4.094858 3.423586 5.133718 5.355093 6.296110 6.768390 7.056802 7.864264 8.132266 8.499500 8.223269 7.254317 9.108391 7.276533 9.121868 8.259194 4.332169 3.845187 3.786039 2.593943 3.113650 0.000000 4.998835 4.730100 4.101422 2.360023 7.486537 2.183086 2.810409 2.827551 3.494193 1.087261 2.780216 2.812848 3.807637 4.870063 5.429470 5.829089 6.042639 6.724270 6.933445 7.243792 7.157757 6.109641 8.204699 6.287567 8.332336 7.454142 3.841109 3.858023 4.339291 3.797425 3.795756 1.764273 0.000000 4.636757 5.154074 5.363133 4.006591 8.711215 2.142998 3.071749 3.513255 2.784394 1.094051 3.347429 4.127412 4.017121 6.369717 7.003499 7.233290 7.736935 8.127329 8.600306 8.781647 8.153566 6.980359 9.053069 6.814016 8.918988 7.861389 3.787915 4.350523 3.780560 3.159323 2.585234 1.769587 1.771873 0.000000 3.699593 2.806138 3.931897 2.286750 5.438831 3.032491 2.207579 2.829863 4.476092 3.122819 1.083101 2.717661 2.063473 4.592135 4.462772 4.385368 5.069425 4.908231 5.551789 5.481004 5.069298 3.914345 6.223021 4.243444 6.428344 5.567814 3.082911 3.794992 4.851506 5.184911 4.839197 4.053002 2.479328 3.569982 0.000000 8.032914 7.309137 2.084846 2.491912 5.776388 5.062708 5.212835 4.008517 6.190362 5.093071 5.381455 2.594965 6.629251 1.091263 2.153435 3.383480 2.654031 4.537370 4.031569 4.807515 6.130579 5.960987 7.115797 6.824813 7.854377 7.726377 6.041023 4.359654 6.489888 6.128354 7.105276 5.017925 4.557389 6.150574 4.671628 0.000000 8.531778 8.189470 2.008132 3.691996 5.342101 5.659214 5.677050 4.332958 6.538943 6.103848 6.108702 3.227170 7.335718 1.091250 2.161432 3.000051 3.085189 4.265380 4.319200 4.807185 5.665055 5.814510 6.371673 6.634209 7.131862 7.252091 6.259438 4.247637 6.560080 6.457802 7.569900 6.036564 5.780914 7.185758 5.612411 1.779820 0.000000 6.486127 6.288695 2.527141 3.721442 2.685275 5.168833 4.377380 3.683920 6.130577 6.046693 4.574695 3.117272 5.477743 2.717771 2.152486 1.081974 3.396441 2.149840 3.865366 3.400946 2.631618 2.844489 3.421537 3.740410 4.200419 4.336864 4.632427 3.563271 5.866021 6.546708 7.029746 6.492243 5.720309 6.937772 4.349719 3.714971 3.075984 0.000000 9.003352 7.578059 4.030056 3.900347 5.241903 6.939591 6.711198 5.849124 8.246808 6.879227 6.407010 4.394888 7.416178 2.725213 2.153427 3.397738 1.084343 3.864622 2.153192 3.400698 6.089488 6.184902 7.211421 7.380801 8.260313 8.338191 7.523619 6.284402 8.514201 8.354033 9.082411 7.002130 6.084230 7.827882 5.499195 2.437759 3.227938 4.293873 0.000000 9.424977 7.573690 5.777992 5.481862 4.502234 8.432486 7.806186 7.306190 9.817820 8.477440 7.169525 6.012335 7.847484 4.669918 3.395543 3.867419 2.150334 3.383493 1.084028 2.143677 5.690965 6.021179 6.833878 7.390027 8.065644 8.311661 8.487120 7.747689 9.978167 10.138529 10.573369 8.842456 7.595949 9.301516 6.283125 4.723698 5.159608 4.949380 2.477563 0.000000 8.513506 6.905118 6.084538 6.047134 2.556399 8.452451 7.450838 7.237463 9.742998 8.847478 6.783451 6.292686 7.193486 5.392244 3.880414 3.394756 3.411255 2.140657 2.166977 1.082836 3.856254 4.464860 4.885427 5.840079 6.167910 6.574809 7.856233 7.530343 9.677989 10.268779 10.456746 9.429073 8.088944 9.589463 6.163467 5.873618 5.870431 4.282022 4.308080 2.495527 0.000000 4.484721 3.758361 4.430927 4.103814 2.679127 5.149864 3.802329 4.192591 6.296856 5.871246 3.161377 4.018806 3.412286 4.824939 3.959173 2.988967 4.634123 2.809294 4.531604 3.710499 2.152976 1.083078 3.403193 2.157312 3.876407 3.405791 3.971938 4.546463 6.141466 7.081590 6.835467 6.714065 5.400325 6.410102 3.079605 5.441613 5.604436 2.930631 5.549835 5.405185 4.127400 0.000000 7.758903 7.854948 6.310180 7.352609 2.565277 8.181384 6.994365 6.869591 8.866816 9.302198 7.034078 6.779145 7.325466 6.479106 5.579314 4.224773 6.347432 3.723864 6.009144 4.792960 2.137227 3.395525 1.083116 3.870627 2.168294 3.409503 6.723097 6.522563 8.263400 9.491695 9.602892 9.931842 9.060444 9.990172 7.126050 7.491686 6.576735 3.858761 7.407341 6.886729 4.878348 4.282289 0.000000 2.811804 3.816398 5.451455 5.286602 4.563762 4.754432 3.264363 4.225598 5.430624 5.811024 3.068762 4.875315 2.820118 6.361896 5.927316 4.928064 6.867125 5.033211 6.951224 6.119291 3.382485 2.141293 3.869752 1.082011 3.393405 2.151838 2.758668 4.356119 5.029992 6.411165 5.736458 6.751604 5.743800 6.074444 3.763047 7.018497 7.043609 4.370736 7.722718 7.863191 6.496825 2.476563 4.952523 0.000000 6.930737 7.892945 7.077477 8.087165 4.514395 7.946142 6.724845 6.899145 8.278452 9.273932 7.002860 7.332384 7.077273 7.708009 7.129741 5.778794 8.141015 5.613141 8.012642 6.848849 3.386512 3.877501 2.146521 3.396429 1.084147 2.153776 6.090086 6.398782 7.476505 9.007361 8.857516 9.967078 9.280890 9.786660 7.459448 8.720956 7.854331 5.055090 9.168057 8.966269 7.016450 4.960527 2.496698 4.293015 0.000000 4.671414 6.217868 6.705080 7.227486 5.247525 6.391463 5.099044 5.730084 6.620827 7.711536 5.378057 6.524744 5.211319 7.653902 7.265320 6.049063 8.346084 6.102816 8.383374 7.358358 3.864810 3.401337 3.400872 2.153450 2.154142 1.083760 4.268455 5.392278 5.856341 7.515765 6.975432 8.522798 7.837981 8.009899 6.102581 8.515808 8.049699 5.257433 9.293215 9.357736 7.645810 4.300105 4.309752 2.480715 2.485264 0.000000 C21H20Cl2O3 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 0 371.1288999999997 AuxInfo=1/0/N:6;7;8;9;10;11;12;13;14;15;16;17;18;19;20;21;22;23;24;25;26;1;2;3;4;5;27;28;29;30;31;32;33;34;35;36;37;38;39;40;41;42;43;44;45;46/rA:46nCl0Cl0O0O0O0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:-3.6705,1.9749,.533;-2.2455,1.305,3.0059;.8361,-2.4845,-1.4294;-.2306,-2.6081,.554;3.3614,1.6452,.1514;-2.7936,-1.869,-1.0759;-2.1998,-.5396,-.6614;-1.3161,-1.5978,-1.3489;-3.6939,-1.857,-2.2988;-3.2216,-2.87,-.0199;-1.9973,-.1665,.7515;-.2252,-2.2779,-.6109;-2.5607,.886,1.3411;2.026,-3.0202,-.8039;2.7387,-1.9904,.0431;2.697,-.6441,-.3189;3.456,-2.3842,1.1729;3.3504,.3031,.4664;4.1336,-1.4306,1.9317;4.0799,-.0831,1.5896;2.2852,2.2061,-.5159;.9722,2.0125,-.0857;2.5687,3.0378,-1.5952;-.0628,2.6583,-.7565;1.5243,3.6842,-2.2545;.2067,3.4948,-1.8402;-2.4482,.2927,-1.31;-1.0554,-1.3747,-2.3757;-3.3733,-1.1165,-3.0359;-3.6952,-2.8388,-2.7824;-4.7221,-1.6213,-2.0082;-3.2481,-3.8767,-.4476;-2.5564,-2.8885,.8399;-4.2305,-2.6232,.3238;-1.3511,-.7856,1.3616;1.7639,-3.8944,-.2056;2.6429,-3.3332,-1.6479;2.1403,-.3329,-1.1929;3.4711,-3.4268,1.4706;4.6881,-1.736,2.8117;4.5808,.6754,2.1781;.7671,1.3673,.7596;3.6001,3.1687,-1.8987;-1.0816,2.5178,-.4203;1.7437,4.3343,-3.0939;-.6045,3.9986,-2.3526; 0.1977765 0.1436713 0.1137186 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= 708 RedAO= T EigKep= 1.05D-06 NBF= 708 NBsUse= 707 1.00D-06 EigRej= 9.02D-07 NBFU= 707 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= 727 727 727 727 727 MxSgAt= 46 MxSgA2= 46. 1 Closed 1 1 1 -1958.68997860585 -1958.68997860583 0.000000000021 -1958.68997861 2 1.952106309277e+03 -9.896505581648e+03 3.339768268195e+03 Using DIIS extrapolation, IDIIS= 1040. NGot= 1887436800 LenX= 1886345404 LenY= 1885805914 Requested convergence on RMS density matrix=1.00D-08 within 128 cycles. Requested convergence on MAX density matrix=1.00D-06. Requested convergence on energy=1.00D-06. No special actions if energy rises. Fock matrices will be formed incrementally for 20 cycles. Using compressed storage, NAtomX= 46. Will process 47 centers per pass. Symmetrizing basis deriv contribution to polar: IMax=3 JMax=2 DiffMx= 0.00D+00 Minotr: Closed shell wavefunction. IDoAtm=1111111111111111111111111111111111111111111111 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. 14192 words used for storage of precomputed grid. Two-electron integrals replicated using symmetry. MDV= 1887436800 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= 138 IRICut= 345 DoRegI=T DoRafI=T ISym2E= 2 IDoP0=3 IntGTp=3. FoFCou: FMM=F IPFlag= 0 FMFlag= 100000 FMFlg1= 0 NFxFlg= 0 DoJE=F BraDBF=F KetDBF=F FulRan=T wScrn= 0.000000 ICntrl= 0 IOpCl= 0 I1Cent= 0 NGrid= 0 NMat0= 138 NMatS0= 138 NMatT0= 0 NMatD0= 138 NMtDS0= 0 NMtDT0= 0 Integrals replicated using symmetry in FoFCou. Raff kept on since 76.35% of shell-pairs survive, threshold= 0.20 IRatSp=76. There are 141 degrees of freedom in the 1st order CPHF. IDoFFX=6 NUNeed= 3. 138 vectors produced by pass 0 Test12= 6.17D-14 1.00D-09 XBig12= 2.95D+02 5.59D+00. AX will form 138 AO Fock derivatives at one time. 138 vectors produced by pass 1 Test12= 6.17D-14 1.00D-09 XBig12= 7.22D+01 1.71D+00. 138 vectors produced by pass 2 Test12= 6.17D-14 1.00D-09 XBig12= 6.02D-01 4.38D-02. 138 vectors produced by pass 3 Test12= 6.17D-14 1.00D-09 XBig12= 2.46D-03 3.33D-03. 138 vectors produced by pass 4 Test12= 6.17D-14 1.00D-09 XBig12= 7.05D-06 3.15D-04. 133 vectors produced by pass 5 Test12= 6.17D-14 1.00D-09 XBig12= 1.49D-08 7.80D-06. 54 vectors produced by pass 6 Test12= 6.17D-14 1.00D-09 XBig12= 1.90D-11 3.10D-07. 3 vectors produced by pass 7 Test12= 6.17D-14 1.00D-09 XBig12= 2.27D-14 1.25D-08. InvSVY: IOpt=1 It= 1 EMax= 3.20D-14 Solved reduced A of dimension 880 with 141 vectors. FullF1: Do perturbations 1 to 3. Isotropic polarizability for W= 0.000000 277.59 Bohr**3. End of Minotr F.D. properties file 721 does not exist. 285.661 -17.890 290.276 24.667 -13.141 256.840 409.358 -29.439 434.193 35.409 -25.453 425.621 (Enter /usr/local/gaussian/gaussian16/g16/l716.exe) PT156226S 2023-05-12T23:37:09.000 -101.57513 -101.57038 -19.17949 -19.16805 -19.12293 -10.31623 -10.29171 -10.24510 -10.24423 -10.24221 -10.21770 -10.21288 -10.20824 -10.20330 -10.19669 -10.18536 -10.18445 -10.18267 -10.18133 -10.18070 -10.18031 -10.17942 -10.17906 -10.17902 -10.17876 -10.16963 -9.48968 -9.48481 -7.25442 -7.24979 -7.24447 -7.24402 -7.23939 -7.23915 -1.12094 -1.08783 -1.03513 -0.92650 -0.90166 -0.87510 -0.86138 -0.84450 -0.79620 -0.77961 -0.76952 -0.75899 -0.75300 -0.73974 -0.72119 -0.70712 -0.66327 -0.64552 -0.62503 -0.61489 -0.59842 -0.59001 -0.56664 -0.55669 -0.55313 -0.52734 -0.51779 -0.50593 -0.49953 -0.49332 -0.48438 -0.48232 -0.47676 -0.47479 -0.46494 -0.45472 -0.44774 -0.44646 -0.44128 -0.43662 -0.42821 -0.42040 -0.41345 -0.41224 -0.40609 -0.40575 -0.39701 -0.39243 -0.38359 -0.38074 -0.37263 -0.36529 -0.36477 -0.36182 -0.35087 -0.34909 -0.33833 -0.33441 -0.32996 -0.32363 -0.32092 -0.30594 -0.29361 -0.26907 -0.26192 -0.25806 -0.25202 -0.23070 -0.03432 -0.03199 -0.02382 -0.01987 -0.01640 -0.01198 -0.00662 -0.00357 0.00553 0.00735 0.01399 0.01838 0.01878 0.02407 0.02687 0.03108 0.03494 0.03821 0.04330 0.04421 0.04894 0.04939 0.05656 0.05736 0.06166 0.06328 0.06889 0.07243 0.07562 0.07754 0.08053 0.08600 0.08674 0.09185 0.09279 0.09798 0.10179 0.10596 0.10674 0.11186 0.11411 0.11458 0.11721 0.11886 0.12057 0.12066 0.12648 0.12892 0.13166 0.13274 0.13594 0.13690 0.14023 0.14197 0.14361 0.14527 0.15046 0.15188 0.15598 0.15843 0.16138 0.16441 0.16547 0.16963 0.17209 0.17438 0.17634 0.17922 0.18168 0.18490 0.18599 0.18862 0.19205 0.19650 0.19879 0.19934 0.20203 0.20302 0.20611 0.20800 0.21007 0.21150 0.21512 0.21751 0.22251 0.22487 0.22667 0.22985 0.23097 0.23258 0.23493 0.23591 0.23902 0.24133 0.24450 0.24718 0.24809 0.24866 0.25126 0.25329 0.25675 0.25823 0.26128 0.26382 0.26523 0.26836 0.26987 0.27355 0.27483 0.27638 0.27859 0.28299 0.28611 0.28816 0.29121 0.29299 0.29773 0.29914 0.30665 0.30816 0.30974 0.31672 0.31892 0.32218 0.32638 0.33001 0.33363 0.33652 0.33893 0.34339 0.34616 0.34970 0.35074 0.35904 0.36244 0.36508 0.36866 0.37172 0.37568 0.37847 0.38593 0.38999 0.39240 0.39534 0.40099 0.40695 0.41546 0.42015 0.42406 0.44137 0.44283 0.44676 0.45432 0.46095 0.46338 0.46693 0.47018 0.48144 0.48801 0.49572 0.49663 0.49922 0.50780 0.51041 0.51867 0.52726 0.53020 0.53852 0.54042 0.54276 0.55193 0.55468 0.55828 0.56167 0.56801 0.56890 0.57274 0.57688 0.58012 0.58526 0.59231 0.59766 0.59970 0.60314 0.60892 0.61860 0.62123 0.62136 0.63099 0.63260 0.63841 0.64637 0.64799 0.65066 0.65637 0.66089 0.66832 0.66968 0.67715 0.67847 0.68587 0.68714 0.69127 0.69286 0.69544 0.69932 0.70289 0.70813 0.71326 0.71492 0.71626 0.72390 0.72795 0.72951 0.73803 0.73814 0.74625 0.74866 0.75105 0.75529 0.76326 0.76862 0.76937 0.77733 0.78150 0.78536 0.78935 0.79250 0.79937 0.80263 0.81152 0.81563 0.82643 0.83020 0.83429 0.83912 0.84405 0.84826 0.85369 0.85584 0.86670 0.87054 0.88364 0.88477 0.89208 0.89558 0.89768 0.91147 0.91648 0.92293 0.93333 0.93795 0.94317 0.94441 0.95301 0.96140 0.96349 0.97042 0.97536 0.97829 0.98771 0.99767 1.00255 1.00589 1.01363 1.02219 1.03155 1.03564 1.04515 1.04986 1.05259 1.05817 1.05848 1.07321 1.07558 1.08068 1.08784 1.09277 1.10569 1.11072 1.11542 1.12154 1.13111 1.14062 1.14522 1.16022 1.16679 1.18478 1.18696 1.19849 1.21554 1.22205 1.22558 1.24883 1.26248 1.28163 1.28627 1.29839 1.31307 1.31889 1.32169 1.33406 1.33911 1.34748 1.35731 1.36690 1.38982 1.39360 1.40046 1.40638 1.42062 1.42797 1.44709 1.45574 1.46368 1.47260 1.48266 1.48758 1.49497 1.51075 1.51564 1.51885 1.52457 1.52885 1.53694 1.54692 1.55547 1.55839 1.57026 1.57440 1.57870 1.58217 1.58729 1.59143 1.59789 1.60496 1.61153 1.61973 1.63186 1.63643 1.64133 1.65128 1.65938 1.66321 1.66994 1.67330 1.67801 1.68390 1.69097 1.69609 1.70541 1.70928 1.71925 1.72565 1.73017 1.73669 1.74325 1.74963 1.75202 1.76144 1.76701 1.77486 1.79316 1.80342 1.80892 1.81463 1.82773 1.83867 1.83941 1.85125 1.86640 1.86938 1.88125 1.88749 1.90243 1.91102 1.91894 1.92109 1.92512 1.92670 1.93493 1.93957 1.94938 1.95065 1.95626 1.97064 1.97574 1.98390 1.99087 1.99944 2.00344 2.00697 2.01208 2.02029 2.02654 2.03464 2.04184 2.04481 2.06226 2.06658 2.07625 2.09859 2.10728 2.11136 2.12169 2.13079 2.14634 2.15638 2.16755 2.18077 2.20230 2.22056 2.22475 2.23398 2.24054 2.26783 2.27940 2.28387 2.29888 2.31520 2.32361 2.33371 2.34031 2.34527 2.36006 2.36454 2.39421 2.40354 2.40833 2.41344 2.42413 2.43069 2.44179 2.46992 2.47727 2.48303 2.49450 2.50207 2.51475 2.51716 2.52404 2.53198 2.53883 2.54514 2.55631 2.59561 2.60698 2.61418 2.62466 2.63408 2.64125 2.64675 2.65319 2.65940 2.66538 2.67468 2.68883 2.70531 2.70874 2.72157 2.72409 2.73113 2.73806 2.74935 2.75395 2.75511 2.75716 2.76639 2.77528 2.78077 2.79062 2.79976 2.80903 2.81256 2.82106 2.82440 2.83306 2.83774 2.85149 2.85537 2.85937 2.87014 2.87482 2.88685 2.89002 2.90365 2.90563 2.91743 2.93013 2.93813 2.95752 2.96801 2.97925 2.98397 2.98989 2.99997 3.02031 3.03363 3.04369 3.07291 3.08673 3.09763 3.10918 3.12222 3.12897 3.14511 3.16473 3.16880 3.17716 3.19204 3.19702 3.20544 3.23580 3.26068 3.27749 3.28893 3.33301 3.35327 3.36713 3.38212 3.39059 3.40155 3.40739 3.44862 3.45887 3.52788 3.54779 3.55512 3.58094 3.60596 3.61532 3.62017 3.65315 3.67848 3.69087 3.71184 3.73158 3.78163 3.80476 3.82457 3.83950 3.84554 3.86045 3.99069 3.99727 4.00797 4.03136 4.03713 4.10734 4.12038 4.14312 4.15653 4.16300 4.17851 4.18515 4.25750 4.30385 4.32443 4.53515 4.55892 4.84657 4.85394 5.10944 5.14399 5.15936 5.30369 5.42322 5.44977 5.65111 5.89125 5.90886 9.79001 9.81792 23.54140 23.60285 23.63018 23.79755 23.83869 23.85979 23.87865 23.94496 23.95174 23.95578 23.96963 23.98706 23.99094 24.00386 24.07530 24.07881 24.09469 24.10455 24.18877 24.19217 24.19696 25.92970 25.94084 26.00551 26.14423 26.65486 26.68453 49.92259 49.98912 50.03734 215.78825 215.81746 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 Cl Cl O O O 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 H 0.164288 0.277634 0.064491 -0.176242 0.049654 0.317407 0.473083 -0.257238 -0.287459 -0.597826 -1.215518 -0.618612 0.053762 -0.036119 0.722575 0.853558 -0.394139 -1.337712 -0.290344 -0.128919 -0.801869 0.342066 -0.076338 0.160268 -0.081640 -0.176279 0.159462 0.177015 0.135675 0.150903 0.150138 0.146445 0.169694 0.145337 0.193328 0.167613 0.184672 0.149364 0.113384 0.130269 0.129365 0.163823 0.129228 0.148731 0.129924 0.123096 -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 Cl Cl O O O C C C C C C C C C C C C C C C C C C C C C 0.164288 0.277634 0.064491 -0.176242 0.049654 0.317407 0.632544 -0.080223 0.149257 -0.136350 -1.022190 -0.618612 0.053762 0.316166 0.722575 1.002922 -0.280755 -1.337712 -0.160075 0.000446 -0.801869 0.505889 0.052890 0.308999 0.048284 -0.053182 0.00000 -1.35878600e-01 -7.36479328e-01 -1.06023502e+00 2.85661392e+02 -1.78901614e+01 2.90275712e+02 2.46673623e+01 -1.31413864e+01 2.56839615e+02 -2.1821 -0.0028 -0.0021 -0.0019 1.7321 2.7461 12.6964 18.0827 24.1933 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 50 51 52 53 54 55 56 57 58 59 60 61 62 63 64 65 66 67 68 69 70 71 72 73 74 75 76 77 78 79 80 81 82 83 84 85 86 87 88 89 90 91 92 93 94 95 96 97 98 99 100 101 102 103 104 105 106 107 108 109 110 111 112 113 114 115 116 117 118 119 120 121 122 123 124 125 126 127 128 129 130 131 132 A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A 12.6646 18.0766 24.1900 34.7482 42.2631 47.2025 60.3369 69.9802 80.3546 98.1752 140.8892 154.3816 173.8389 189.8745 199.1879 219.6337 224.0763 243.5438 251.2493 272.8153 276.5962 321.6573 327.3634 335.9673 365.3026 389.6253 405.0373 409.8653 424.0487 443.6885 454.2348 480.1271 495.7858 506.5339 532.1509 541.8953 582.9288 610.2534 631.0052 639.3423 648.5378 679.2712 702.1014 708.5643 734.4203 747.2736 779.7274 799.1941 805.8243 815.0743 843.7450 849.0787 854.5557 886.1924 902.0447 909.8559 915.7501 924.0972 947.5581 979.5370 983.2335 985.0080 986.0348 991.5266 1004.2143 1009.0631 1015.6957 1016.8904 1017.6978 1040.4338 1045.2784 1077.2078 1099.1205 1104.9131 1110.8571 1146.8308 1158.4541 1170.1873 1186.2618 1191.5951 1194.1886 1198.6911 1233.7612 1250.3769 1273.2890 1291.6206 1306.3688 1312.4069 1328.2866 1335.6395 1347.8502 1351.9461 1391.6680 1410.0677 1416.7917 1430.0425 1445.4857 1474.0056 1484.0786 1486.1672 1486.8494 1493.1117 1509.1690 1516.4083 1517.2439 1522.1493 1626.0637 1627.3435 1642.7143 1645.2156 1671.1811 1767.4225 3017.1018 3027.9669 3061.1946 3077.7183 3081.5853 3090.5638 3108.8095 3150.1879 3150.7095 3164.0195 3166.0337 3173.3528 3180.0369 3182.0631 3188.0817 3188.5861 3195.1683 3197.8976 3199.4327 3215.5656 7.3806 5.6203 5.8124 7.0110 4.6257 5.4292 6.7521 7.8613 5.1129 5.9112 4.2547 4.1686 4.2827 2.3380 2.3198 2.4914 2.6663 2.0150 5.3679 2.6779 4.1721 4.1475 7.4444 3.3918 4.1766 4.0973 4.2133 5.1704 2.9842 3.7935 3.2994 4.6854 3.4718 4.0683 3.0448 3.9318 7.6008 5.3824 6.3321 7.1985 5.0002 4.0639 2.4422 1.9971 3.4223 4.3557 1.7097 2.5752 2.7696 4.8331 1.2947 4.8987 3.8601 1.6864 1.9675 1.4714 1.6603 1.5190 3.7500 1.5327 2.9773 1.4466 1.3171 1.6186 1.3116 2.2566 4.8452 4.7062 1.8535 2.0211 2.0402 1.5446 1.5065 1.8322 1.7212 1.7437 2.2668 1.7993 1.1425 1.1880 1.2626 2.7204 3.3305 2.0032 3.2811 1.6579 1.2672 1.6673 2.1272 2.1877 1.9739 2.3925 1.4439 1.5756 1.2713 1.3853 1.8218 2.3697 1.3517 1.0798 1.6855 1.0591 1.0779 1.0930 2.2896 2.4382 5.8786 5.8544 6.3206 5.7047 7.8193 10.6409 1.0349 1.0406 1.0571 1.1021 1.1014 1.1022 1.1090 1.0952 1.0886 1.0872 1.0866 1.0890 1.0925 1.0916 1.0889 1.0903 1.0951 1.0950 1.0903 1.0933 0.0007 0.0011 0.0020 0.0050 0.0049 0.0071 0.0145 0.0227 0.0195 0.0336 0.0498 0.0585 0.0763 0.0497 0.0542 0.0708 0.0789 0.0704 0.1996 0.1174 0.1881 0.2528 0.4700 0.2256 0.3284 0.3665 0.4073 0.5117 0.3162 0.4400 0.4011 0.6364 0.5028 0.6150 0.5080 0.6802 1.5217 1.1810 1.4855 1.7336 1.2391 1.1048 0.7093 0.5908 1.0876 1.4331 0.6124 0.9691 1.0596 1.8918 0.5430 2.0808 1.6609 0.7803 0.9433 0.7177 0.8204 0.7643 1.9838 0.8665 1.6959 0.8270 0.7545 0.9376 0.7793 1.3538 2.9450 2.8673 1.1311 1.2891 1.3134 1.0560 1.0723 1.3179 1.2514 1.3512 1.7923 1.4516 0.9472 0.9938 1.0608 2.3030 2.9869 1.8452 3.1342 1.6296 1.2742 1.6920 2.2112 2.2994 2.1128 2.5765 1.6476 1.8458 1.5035 1.6692 2.2428 3.0335 1.7541 1.4052 2.1954 1.3912 1.4465 1.4808 3.1054 3.3283 9.1580 9.1346 10.0492 9.0976 12.8667 19.5843 5.5507 5.6214 5.8365 6.1505 6.1622 6.2026 6.3150 6.4033 6.3669 6.4129 6.4171 6.4614 6.5095 6.5125 6.5205 6.5310 6.5871 6.5979 6.5759 6.6603 0.1121 0.5295 0.6797 0.5651 0.1236 0.5417 1.0690 0.1041 0.3355 1.2083 0.9811 1.0723 0.3228 0.2344 0.0127 1.2137 0.3915 0.9062 0.3216 2.6235 2.9168 5.8260 0.4779 6.7415 6.7736 4.9905 6.9570 5.3179 0.5741 5.7418 2.8549 0.8302 10.0020 5.1322 7.4965 7.3904 0.1966 0.6822 0.9200 15.5814 2.7681 1.9137 18.5023 30.4784 5.2980 1.3369 55.8091 38.8678 46.1229 27.9287 4.3616 16.2096 38.7830 16.6444 34.4224 13.0715 14.2381 4.3697 49.4389 1.1584 22.9615 1.8903 0.1185 2.5938 0.9201 17.2917 3.7004 1.3299 13.5416 4.0941 6.6830 9.8717 5.4609 99.9965 28.6445 42.4713 203.6566 24.6516 7.6918 30.9410 5.2539 121.4669 135.8486 16.0861 301.4279 44.0416 12.6098 10.0779 6.3556 8.9695 3.6628 9.8550 33.3973 47.2412 9.3480 36.3311 78.5556 17.9011 13.1746 3.2624 41.7717 9.3496 7.9852 2.8185 141.8807 13.2266 135.4592 8.7935 5.4755 30.2622 29.8344 128.9819 28.0014 45.7671 28.2920 0.1712 41.8555 25.7476 5.5586 3.8193 1.9048 4.3672 4.1572 2.8445 16.7699 12.1954 29.7491 2.8715 6.8950 5.1882 1.2241 1.4258 0.08 -0.02 0.06 0.22 -0.01 -0.02 0.00 0.02 -0.07 0.01 -0.09 -0.08 -0.12 0.04 0.13 -0.02 -0.03 0.02 0.01 -0.04 -0.01 -0.03 -0.05 -0.04 -0.06 -0.02 0.05 0.00 -0.02 0.04 0.08 -0.03 -0.02 -0.00 -0.05 -0.07 0.12 -0.02 0.00 0.02 0.05 -0.08 -0.05 0.04 -0.01 -0.05 0.04 0.02 -0.13 0.02 0.04 -0.12 0.04 0.09 -0.20 0.02 0.11 -0.20 0.02 0.14 -0.06 0.04 0.03 -0.10 0.03 -0.09 0.03 0.04 0.05 -0.05 0.02 -0.18 0.08 0.03 -0.04 0.04 0.02 -0.16 -0.00 -0.04 -0.00 -0.06 -0.06 -0.05 -0.08 -0.03 0.04 -0.10 -0.02 0.06 -0.05 -0.00 0.09 -0.02 -0.02 0.05 0.02 -0.02 0.02 0.01 -0.01 0.07 0.11 -0.03 -0.05 0.06 -0.00 -0.14 0.05 0.14 -0.09 0.01 0.05 -0.01 -0.14 0.02 0.02 -0.27 0.01 0.15 -0.26 0.02 0.20 -0.17 0.03 -0.10 0.05 0.05 0.14 -0.07 0.01 -0.27 0.15 0.03 -0.02 0.08 0.01 -0.23 -0.02 -0.01 -0.09 0.05 0.10 -0.10 -0.03 -0.02 -0.02 0.02 0.00 0.01 0.05 -0.03 -0.04 -0.04 -0.11 0.07 -0.06 -0.08 -0.01 -0.06 -0.09 0.01 -0.08 -0.19 0.10 0.02 -0.08 0.12 -0.02 -0.01 -0.03 -0.02 -0.03 0.00 -0.01 0.02 -0.07 -0.01 -0.01 -0.04 -0.01 -0.01 -0.04 0.01 -0.01 -0.04 -0.03 -0.02 -0.03 0.02 -0.02 -0.03 -0.02 -0.03 -0.02 0.00 -0.03 -0.02 0.04 0.03 0.03 0.04 -0.02 0.01 0.03 0.14 0.11 0.04 0.04 0.07 0.03 0.21 0.18 0.03 0.16 0.16 -0.11 -0.11 -0.04 -0.10 -0.12 -0.01 -0.12 -0.21 0.05 -0.07 -0.21 0.14 -0.08 -0.20 0.12 0.03 -0.10 0.17 0.04 -0.02 0.11 0.02 -0.09 0.14 -0.01 0.02 -0.02 0.00 -0.02 -0.05 -0.02 0.01 -0.05 0.02 -0.01 -0.04 -0.05 -0.02 -0.03 -0.04 -0.04 -0.02 0.01 -0.04 -0.02 0.04 -0.11 -0.06 0.03 0.18 0.13 0.04 -0.00 0.06 0.03 0.29 0.25 0.03 0.20 0.21 -0.06 -0.00 -0.04 0.03 0.10 -0.06 -0.00 0.07 -0.05 0.04 0.06 -0.02 -0.10 0.03 0.23 -0.01 -0.02 0.03 -0.03 0.00 -0.01 -0.02 0.01 -0.01 -0.04 -0.07 0.05 0.04 -0.01 0.06 -0.01 0.04 -0.02 0.01 0.05 -0.02 -0.02 0.04 -0.04 0.01 0.05 -0.08 0.03 0.01 -0.05 -0.05 0.04 0.07 0.14 -0.06 -0.15 -0.02 -0.00 0.10 0.16 -0.10 -0.12 0.09 -0.07 0.01 -0.05 -0.01 0.14 -0.07 0.06 0.12 -0.01 -0.12 0.06 -0.04 0.01 0.02 0.02 -0.17 -0.04 0.01 -0.11 -0.05 -0.07 -0.02 -0.02 -0.05 0.00 -0.02 -0.07 -0.07 0.03 -0.02 -0.08 0.07 -0.04 -0.09 0.07 0.06 -0.02 0.08 0.06 0.02 0.04 0.04 -0.03 0.07 0.02 0.07 -0.02 0.01 0.03 -0.11 -0.01 0.08 -0.10 -0.13 0.09 0.14 0.20 -0.09 -0.24 0.25 -0.16 -0.19 0.11 -0.11 0.03 -0.10 0.15 0.18 0.00 -0.18 0.07 -0.05 0.07 0.01 0.06 -0.26 -0.10 0.03 -0.14 -0.13 0.13 0.16 -0.00 -0.13 -0.11 0.08 -0.03 0.09 -0.01 0.01 0.04 0.01 0.02 0.04 0.05 -0.05 -0.12 0.03 -0.15 -0.08 0.05 -0.07 0.00 0.03 -0.05 -0.16 0.03 0.03 -0.18 -0.00 -0.18 -0.09 0.06 -0.02 0.05 0.02 -0.07 -0.02 0.04 -0.02 0.07 -0.05 0.00 0.04 -0.03 0.02 0.05 -0.01 0.00 0.01 -0.05 0.02 0.03 0.01 0.02 -0.01 -0.03 0.03 -0.00 0.00 0.05 0.04 -0.00 0.03 0.02 -0.07 0.10 0.04 0.01 0.06 -0.00 -0.13 0.13 0.02 -0.05 0.11 -0.00 -0.12 -0.21 -0.08 0.07 -0.08 0.04 0.04 -0.11 -0.12 0.04 0.04 -0.15 0.00 -0.07 -0.25 0.03 0.11 -0.17 -0.03 0.03 -0.16 -0.00 0.01 -0.27 0.01 -0.29 -0.18 0.09 -0.01 0.05 -0.07 -0.04 0.10 -0.07 0.01 0.07 0.00 -0.01 0.01 -0.07 0.02 -0.03 -0.04 0.03 -0.02 0.02 -0.00 0.02 -0.08 0.12 0.05 0.07 0.04 -0.02 -0.19 0.16 0.02 -0.04 0.13 -0.02 -0.17 0.05 0.01 -0.01 0.07 -0.03 -0.03 -0.01 0.04 -0.00 -0.06 -0.07 -0.03 0.07 0.03 -0.04 -0.05 -0.05 -0.03 -0.05 -0.05 -0.03 -0.05 -0.05 -0.03 -0.05 -0.06 -0.03 -0.04 -0.06 -0.03 -0.03 -0.05 -0.03 -0.04 -0.03 -0.02 0.02 -0.03 -0.03 -0.01 0.05 0.01 -0.03 0.05 0.03 0.00 0.05 0.01 -0.06 0.05 0.05 0.03 0.04 0.00 -0.05 0.04 0.04 0.00 0.04 0.02 0.05 0.04 0.01 0.09 0.17 0.17 -0.01 -0.12 -0.13 0.05 0.16 0.21 -0.04 -0.13 -0.09 -0.01 0.01 0.09 -0.06 -0.05 -0.02 -0.05 -0.04 -0.03 -0.05 -0.05 -0.03 -0.04 -0.06 -0.03 -0.05 -0.06 -0.03 -0.03 -0.06 -0.03 -0.05 -0.06 -0.03 -0.05 -0.07 -0.04 -0.05 -0.07 -0.03 -0.01 0.04 -0.00 0.00 0.07 0.02 0.02 0.05 -0.00 -0.09 0.05 0.06 -0.07 0.04 0.06 0.02 0.03 0.01 0.14 0.28 0.27 -0.04 -0.22 -0.26 0.08 0.27 0.34 -0.10 -0.24 -0.19 -0.03 0.01 0.12 0.09 0.03 -0.03 0.06 -0.04 -0.02 -0.02 -0.06 0.10 -0.14 -0.14 0.03 -0.08 0.03 0.04 -0.05 -0.01 -0.04 0.00 -0.04 -0.03 -0.03 -0.08 0.00 -0.01 0.04 -0.08 -0.14 0.01 -0.06 -0.00 -0.05 -0.02 -0.07 -0.10 0.04 0.04 -0.02 -0.02 -0.04 -0.04 0.14 -0.01 0.00 0.08 -0.11 0.01 0.10 0.15 0.02 -0.02 -0.03 0.02 0.02 0.21 0.03 -0.10 0.12 0.03 -0.08 -0.06 0.03 0.01 -0.08 0.03 -0.03 -0.02 0.06 0.05 -0.05 0.07 -0.05 0.01 0.10 0.04 -0.00 0.10 -0.01 0.06 -0.02 -0.03 0.02 -0.09 0.01 0.06 0.03 -0.06 -0.04 0.04 -0.08 -0.00 0.10 -0.11 -0.17 0.02 -0.06 -0.17 -0.02 -0.04 -0.14 0.07 -0.10 -0.04 -0.08 -0.01 -0.05 0.01 0.20 -0.03 -0.11 0.17 -0.22 -0.01 0.16 0.23 0.01 -0.04 0.34 0.05 -0.17 0.18 0.05 -0.14 -0.11 0.01 -0.06 -0.01 0.06 0.09 -0.06 0.07 -0.09 0.05 0.12 0.06 0.02 0.12 -0.02 0.13 0.17 -0.01 0.12 0.06 -0.03 0.01 -0.00 0.01 0.03 0.11 0.02 -0.04 -0.02 -0.02 0.04 -0.04 -0.06 -0.06 -0.01 -0.00 0.03 0.06 -0.01 0.09 -0.06 -0.10 0.07 -0.11 -0.12 -0.08 -0.02 -0.00 0.03 0.07 0.01 0.03 0.05 -0.01 -0.01 -0.03 0.02 0.01 -0.03 0.01 0.01 -0.03 -0.01 -0.01 -0.01 0.03 -0.01 -0.02 -0.01 -0.02 0.00 0.02 -0.03 0.00 0.01 -0.08 -0.05 0.02 -0.07 -0.14 0.04 -0.15 0.00 0.05 -0.11 -0.17 0.07 -0.20 -0.03 0.08 -0.18 -0.12 0.10 -0.09 -0.01 0.00 0.06 0.10 0.01 0.06 -0.01 -0.06 0.18 -0.04 -0.14 0.06 -0.15 -0.14 0.19 -0.10 -0.16 0.03 -0.08 -0.09 0.03 -0.22 -0.17 -0.14 -0.06 0.01 -0.03 -0.01 0.03 -0.01 -0.06 0.03 0.02 -0.04 -0.02 -0.01 -0.00 0.04 -0.04 0.02 0.04 -0.05 0.01 0.01 -0.02 -0.18 0.02 -0.16 0.07 0.03 -0.09 -0.23 0.08 -0.24 0.01 0.10 -0.22 -0.15 0.13 0.19 0.07 -0.12 -0.15 -0.04 0.04 0.03 -0.13 -0.05 0.12 -0.03 0.01 -0.12 -0.03 0.00 0.07 0.03 0.07 0.14 0.01 0.02 0.08 -0.04 0.03 0.03 0.02 0.10 0.07 0.09 0.13 0.10 0.02 0.02 0.08 -0.07 -0.00 0.06 0.02 -0.02 0.06 -0.08 -0.08 0.00 -0.06 -0.06 -0.07 -0.05 -0.03 0.01 -0.05 -0.06 -0.11 -0.04 -0.01 -0.06 -0.03 -0.02 -0.12 -0.03 0.00 -0.11 -0.01 -0.00 -0.10 0.10 0.05 -0.09 -0.07 -0.04 -0.08 0.18 0.09 -0.06 0.00 -0.01 -0.05 0.14 0.06 0.17 0.01 -0.00 0.05 -0.07 0.01 0.04 -0.02 0.07 -0.03 0.00 0.14 0.05 0.07 0.13 -0.04 0.08 0.16 0.12 0.05 0.08 0.11 0.17 0.19 0.04 -0.00 0.06 0.11 -0.11 -0.09 0.07 -0.03 -0.09 -0.07 -0.05 -0.03 0.05 -0.05 -0.09 -0.06 -0.02 -0.02 -0.16 -0.01 0.02 -0.12 0.14 0.08 -0.09 -0.16 -0.08 -0.07 0.28 0.13 -0.04 -0.04 -0.04 -0.03 0.20 0.09 -0.08 -0.02 0.08 0.06 0.02 0.01 -0.02 -0.09 0.02 0.05 0.16 0.06 -0.07 -0.05 -0.02 0.06 -0.03 -0.04 -0.04 -0.01 0.01 0.05 0.07 0.01 0.11 -0.07 -0.08 0.11 -0.12 -0.10 -0.05 -0.01 0.02 0.03 0.06 0.03 -0.03 -0.00 0.03 -0.03 -0.09 0.05 -0.04 -0.06 0.02 -0.09 -0.06 0.02 0.00 -0.04 0.00 -0.08 -0.05 -0.01 -0.01 -0.03 -0.02 -0.05 -0.03 -0.02 -0.04 -0.01 -0.04 -0.05 0.11 -0.03 0.03 -0.06 -0.06 0.00 0.21 -0.02 0.08 0.05 -0.05 0.07 0.19 -0.02 -0.08 -0.01 0.02 0.07 0.09 0.02 0.08 -0.01 -0.04 0.23 -0.05 -0.12 0.07 -0.18 -0.12 0.26 -0.11 -0.13 0.05 -0.06 -0.06 0.05 -0.25 -0.16 -0.03 0.01 0.00 -0.06 -0.06 0.08 -0.03 -0.13 0.07 -0.12 -0.08 0.03 0.04 -0.04 -0.00 0.02 -0.01 -0.03 -0.04 -0.02 -0.04 -0.10 0.13 -0.02 0.04 -0.15 -0.07 -0.01 0.31 0.00 0.14 0.02 -0.05 0.12 0.27 -0.00 0.03 -0.07 -0.05 -0.04 0.21 0.04 -0.00 0.02 -0.00 -0.02 -0.22 -0.02 -0.00 0.01 0.00 0.01 -0.01 0.00 -0.01 -0.06 0.17 0.02 0.02 0.08 0.05 0.16 -0.03 0.00 -0.17 -0.16 -0.04 -0.09 0.19 -0.00 -0.08 0.02 -0.02 -0.01 0.09 0.03 0.02 -0.08 0.02 0.00 -0.05 0.02 0.01 -0.04 -0.00 -0.01 -0.04 -0.00 0.00 -0.01 -0.03 -0.01 -0.01 -0.03 -0.01 0.00 0.00 0.01 -0.00 0.00 0.02 0.00 0.01 0.00 -0.01 0.00 0.02 -0.00 0.01 0.00 -0.01 0.01 0.01 -0.01 0.02 -0.02 0.22 0.05 0.15 0.12 0.08 0.26 0.09 0.07 0.22 -0.16 0.04 0.12 -0.03 0.11 -0.12 -0.29 -0.06 -0.23 -0.11 -0.04 -0.30 -0.20 -0.08 -0.09 0.22 0.08 -0.02 -0.11 0.01 0.08 -0.11 0.03 0.02 -0.05 -0.01 -0.01 -0.06 -0.05 -0.02 -0.00 -0.05 -0.01 0.03 0.00 0.03 0.00 0.01 -0.00 -0.01 0.00 0.03 0.00 0.01 -0.00 -0.01 0.01 0.01 -0.01 0.07 -0.09 -0.07 -0.01 -0.01 0.00 -0.01 -0.02 -0.04 0.00 0.20 -0.04 0.01 -0.00 -0.01 -0.02 0.01 0.01 0.01 -0.02 0.03 -0.03 0.03 -0.08 -0.18 0.16 0.13 0.11 -0.12 -0.06 0.07 -0.04 0.02 -0.01 0.07 -0.07 0.05 -0.04 0.00 -0.06 -0.01 0.08 -0.08 0.01 0.08 -0.08 0.00 0.07 -0.04 0.01 0.06 -0.01 0.00 0.02 0.03 0.01 0.00 0.06 0.01 -0.03 0.01 0.00 0.00 0.01 -0.01 0.00 -0.00 0.01 0.00 0.00 -0.02 -0.00 -0.01 0.00 0.01 -0.00 -0.02 -0.00 -0.05 -0.01 0.07 -0.06 0.06 -0.08 -0.21 0.17 0.13 -0.36 0.19 0.07 -0.11 0.26 0.30 0.17 -0.08 -0.16 0.14 -0.15 -0.09 0.10 -0.24 0.01 0.07 -0.04 0.01 -0.12 0.03 0.11 -0.00 -0.06 0.15 -0.11 -0.00 0.09 -0.04 0.02 0.08 0.08 0.01 -0.03 0.13 0.00 -0.08 0.01 -0.01 -0.00 -0.00 0.02 0.01 0.00 -0.03 -0.00 -0.01 0.01 0.01 -0.01 -0.03 -0.00 0.04 -0.07 -0.05 0.04 -0.01 -0.01 -0.07 -0.08 0.03 0.11 0.21 0.15 0.01 0.03 0.04 -0.05 -0.01 -0.02 -0.02 -0.04 0.02 -0.02 -0.06 0.06 0.04 0.06 -0.09 -0.18 0.05 -0.02 -0.04 -0.09 0.04 0.00 0.02 0.10 -0.00 -0.06 0.02 0.00 0.00 -0.04 0.01 0.03 -0.08 0.02 0.03 -0.07 -0.02 0.01 -0.07 -0.00 0.02 -0.02 -0.04 -0.01 -0.03 -0.04 -0.00 -0.00 0.02 0.05 0.04 0.02 0.04 0.04 0.02 0.04 0.03 0.01 -0.01 0.01 0.01 -0.01 -0.00 0.01 -0.05 -0.02 0.04 -0.01 0.04 0.01 -0.08 0.07 0.11 0.09 -0.02 0.07 0.08 -0.13 0.02 0.06 -0.16 -0.59 0.09 -0.09 -0.03 -0.21 -0.14 -0.04 0.35 0.19 -0.06 -0.11 0.04 0.09 -0.01 -0.02 -0.04 0.03 -0.08 0.03 0.05 -0.07 -0.04 0.01 -0.08 -0.07 -0.03 -0.01 -0.07 -0.01 0.03 0.03 0.05 0.05 0.02 0.06 0.04 0.01 -0.03 -0.00 -0.00 -0.03 -0.02 -0.00 -0.10 -0.06 -0.01 0.00 -0.01 0.02 -0.01 -0.02 0.07 0.17 0.04 0.00 0.04 0.00 -0.06 -0.04 -0.00 -0.05 -0.02 -0.01 -0.05 -0.03 0.00 -0.03 -0.01 -0.01 -0.11 0.07 0.04 -0.07 -0.01 -0.01 -0.06 -0.04 0.00 0.02 0.06 0.01 -0.03 -0.02 -0.01 0.05 0.03 0.00 0.17 -0.05 -0.01 0.17 -0.06 -0.03 0.14 -0.03 0.01 0.04 -0.03 0.02 0.03 0.01 0.07 -0.04 0.02 0.09 -0.06 -0.11 -0.07 -0.07 -0.08 -0.08 -0.03 -0.13 -0.07 -0.03 0.06 -0.01 0.01 0.01 0.00 0.01 0.13 0.06 -0.06 -0.02 0.02 -0.04 0.01 -0.01 -0.07 0.04 0.02 -0.25 0.08 0.03 -0.06 0.19 0.11 -0.33 0.03 -0.08 0.06 -0.20 -0.12 0.02 0.16 0.16 -0.08 -0.06 0.01 -0.04 0.05 0.01 -0.03 -0.04 -0.02 0.21 -0.07 -0.06 0.16 -0.02 0.02 -0.02 0.03 0.11 -0.15 0.04 0.16 -0.10 -0.11 -0.11 -0.03 -0.19 -0.08 -0.04 0.12 0.01 0.04 0.03 0.03 0.04 0.27 0.15 -0.04 0.05 0.02 0.00 -0.03 -0.03 -0.01 -0.10 0.04 -0.01 0.01 0.06 0.00 0.02 0.02 -0.00 -0.01 -0.00 0.02 -0.02 -0.02 0.01 -0.05 0.01 -0.07 0.10 0.05 0.02 -0.07 -0.05 -0.00 0.03 -0.04 -0.01 -0.05 0.05 -0.02 0.03 -0.04 0.03 -0.04 0.01 0.07 -0.00 -0.07 0.06 0.00 -0.07 0.05 0.01 -0.05 0.00 0.01 -0.02 -0.02 0.01 -0.00 -0.06 0.02 0.02 0.01 0.04 0.03 0.01 0.04 0.03 0.01 0.03 0.03 0.01 0.00 0.01 0.01 -0.01 -0.00 0.00 -0.03 -0.02 0.02 -0.04 -0.05 0.03 -0.07 0.01 0.11 -0.10 -0.07 -0.43 0.03 0.17 0.03 0.47 0.09 0.35 -0.09 -0.02 -0.13 0.11 0.08 -0.10 -0.31 -0.25 0.00 0.05 -0.02 0.07 -0.01 0.07 -0.02 -0.08 -0.01 0.08 -0.00 -0.08 0.07 0.00 -0.06 -0.06 0.02 0.02 -0.14 0.03 0.07 0.02 0.05 0.05 0.01 0.04 0.04 0.01 -0.01 0.00 0.00 -0.02 -0.02 -0.00 -0.07 -0.05 0.05 -0.08 -0.06 0.01 -0.03 0.02 -0.04 0.10 0.06 -0.08 0.03 0.04 -0.01 0.00 0.02 -0.01 0.04 0.02 -0.01 0.04 0.00 -0.02 0.04 0.02 0.05 -0.04 -0.02 -0.00 0.03 0.02 0.06 0.01 0.00 -0.05 0.06 0.05 0.05 -0.01 0.01 -0.05 0.03 0.00 0.02 0.00 -0.04 0.05 0.00 -0.05 -0.00 -0.01 -0.03 0.02 -0.00 -0.02 -0.02 -0.02 -0.01 -0.02 -0.01 0.01 -0.01 -0.01 -0.00 -0.02 -0.01 -0.01 -0.01 -0.02 -0.00 -0.01 0.01 -0.00 -0.00 -0.00 0.00 -0.00 0.02 0.01 -0.00 0.05 0.01 -0.01 0.02 0.02 0.07 -0.07 -0.04 0.11 -0.07 0.03 0.02 -0.07 -0.10 0.51 -0.04 0.16 -0.28 0.39 0.25 -0.20 -0.28 -0.35 0.08 0.01 -0.03 -0.08 0.05 0.03 -0.11 -0.02 -0.02 0.07 0.01 -0.06 -0.03 -0.01 -0.03 -0.05 -0.02 0.01 -0.05 -0.02 0.04 -0.02 -0.01 -0.01 -0.01 -0.03 -0.00 -0.01 0.02 -0.00 0.01 -0.00 0.00 0.00 0.04 0.02 -0.01 0.01 0.00 0.01 -0.00 -0.01 -0.01 0.00 -0.02 0.08 -0.00 0.03 -0.03 0.01 0.05 0.00 -0.01 -0.00 0.00 -0.02 0.00 0.01 -0.03 0.03 0.02 0.02 -0.02 -0.03 0.00 -0.00 -0.02 -0.01 0.00 0.03 -0.02 0.02 -0.02 -0.00 -0.00 0.03 0.05 -0.06 -0.06 0.03 0.03 0.03 0.02 -0.00 -0.16 0.02 0.09 0.07 0.00 -0.02 0.00 -0.01 -0.00 0.16 -0.03 -0.09 -0.04 -0.05 -0.00 -0.06 -0.04 -0.03 -0.02 -0.07 -0.01 -0.03 0.02 -0.02 0.01 -0.01 0.01 0.01 0.06 0.02 0.03 -0.02 -0.01 0.02 -0.04 0.03 0.27 -0.22 -0.16 -0.28 -0.07 0.17 0.09 0.41 -0.08 0.10 -0.02 0.04 -0.11 0.10 0.07 -0.08 -0.07 -0.12 -0.03 -0.01 0.01 0.11 -0.04 -0.15 0.07 0.20 -0.08 0.04 0.04 -0.01 -0.30 0.04 0.16 0.00 -0.03 -0.01 0.28 -0.06 -0.15 -0.09 -0.06 -0.05 -0.01 -0.10 0.00 -0.04 0.04 -0.03 0.04 0.00 0.02 0.03 0.12 0.05 -0.00 0.01 0.01 -0.01 -0.00 0.00 -0.01 -0.06 0.02 -0.07 -0.01 -0.01 -0.05 0.03 0.08 0.00 0.00 0.00 0.02 0.01 -0.01 -0.00 0.00 -0.03 -0.02 -0.00 0.02 0.04 -0.02 -0.01 0.04 0.03 -0.01 -0.02 -0.02 -0.01 0.02 0.02 -0.01 -0.02 -0.05 0.06 0.04 -0.00 -0.04 0.17 -0.02 -0.14 -0.08 0.03 0.05 0.09 -0.01 -0.08 -0.01 0.01 0.00 0.08 -0.01 -0.07 -0.05 0.01 0.06 -0.06 0.04 0.04 -0.01 -0.01 0.06 -0.04 0.04 -0.01 0.02 -0.02 0.01 0.01 0.00 -0.03 -0.00 0.00 -0.01 -0.00 0.00 -0.03 -0.27 0.26 0.18 0.28 0.10 -0.19 -0.09 -0.39 0.09 -0.11 0.01 -0.08 0.14 -0.15 -0.09 0.10 0.04 0.13 0.04 0.03 -0.01 -0.06 0.04 0.16 -0.05 -0.17 0.09 0.21 -0.02 -0.17 -0.23 0.05 0.15 -0.08 0.02 0.05 0.07 -0.00 -0.07 -0.10 0.06 0.04 0.00 -0.03 0.10 -0.05 0.07 -0.04 0.06 -0.04 -0.00 0.03 -0.00 -0.07 -0.03 0.03 -0.01 0.01 -0.05 -0.03 -0.04 -0.02 0.02 0.03 -0.01 0.07 0.01 0.01 0.01 -0.02 0.01 0.03 0.03 0.00 0.00 -0.01 -0.05 0.04 -0.01 0.07 0.02 -0.00 -0.05 -0.02 0.05 0.06 -0.03 -0.01 -0.03 0.06 0.02 0.04 -0.04 0.03 0.05 -0.06 -0.03 0.04 0.00 -0.04 0.04 0.04 -0.01 0.01 -0.02 -0.01 0.02 0.04 0.00 -0.01 -0.01 0.01 0.00 0.02 0.01 -0.04 -0.03 0.01 -0.06 -0.04 0.00 -0.05 -0.04 0.01 -0.02 0.00 -0.00 -0.00 0.01 0.01 0.03 0.05 0.04 -0.02 -0.03 0.00 -0.09 0.03 -0.25 0.42 0.26 0.33 0.23 -0.29 -0.09 -0.37 0.09 0.12 -0.04 -0.06 -0.05 -0.02 0.02 -0.05 -0.16 -0.07 0.06 0.09 -0.02 0.14 -0.03 -0.13 0.03 0.19 -0.11 -0.05 0.06 0.05 0.01 0.00 -0.05 0.02 -0.03 -0.02 0.03 -0.01 0.02 0.02 -0.09 -0.06 -0.00 -0.06 -0.06 0.01 -0.02 0.01 -0.01 0.02 0.02 0.01 0.09 0.10 0.06 -0.02 0.12 -0.10 0.13 0.05 0.00 -0.15 -0.09 0.01 0.13 -0.07 -0.00 0.03 0.05 -0.08 -0.03 -0.04 0.01 -0.04 -0.05 -0.07 -0.12 -0.10 -0.06 -0.09 -0.07 -0.15 0.01 -0.04 0.10 -0.01 -0.02 -0.01 -0.06 -0.12 0.09 -0.02 0.03 0.04 -0.01 0.01 0.03 0.04 -0.01 0.04 0.04 0.00 0.05 0.05 -0.02 0.02 0.04 0.04 0.03 0.05 0.02 -0.00 0.05 0.05 0.00 -0.05 -0.02 0.00 -0.08 -0.04 0.01 -0.08 -0.04 0.01 -0.03 0.01 0.02 -0.02 0.01 0.02 0.04 0.07 0.04 -0.03 -0.04 -0.12 -0.14 -0.12 -0.11 -0.06 -0.06 0.07 -0.09 -0.07 -0.09 -0.21 -0.11 0.13 -0.05 0.08 -0.36 0.23 0.13 -0.28 -0.13 -0.32 0.14 0.01 -0.05 0.07 0.02 0.07 0.08 -0.04 0.05 0.05 0.05 0.00 0.08 0.05 -0.03 0.02 0.03 0.02 -0.04 0.06 0.08 0.01 -0.11 -0.06 0.01 -0.10 -0.05 0.01 -0.02 0.01 0.01 -0.00 0.03 0.03 0.12 0.13 -0.00 0.01 0.01 0.00 0.00 -0.01 0.07 0.06 -0.03 0.11 0.02 -0.02 0.00 -0.05 -0.07 -0.04 -0.00 0.01 -0.01 -0.02 0.01 -0.02 -0.05 0.01 -0.04 0.05 0.00 -0.11 0.03 0.02 -0.03 -0.03 0.01 0.05 0.00 -0.03 -0.03 -0.02 -0.00 0.05 -0.02 -0.03 0.04 -0.08 0.06 0.02 -0.08 0.03 0.01 -0.05 0.08 0.01 -0.05 -0.01 0.02 -0.02 0.04 0.04 -0.03 -0.02 -0.02 0.04 0.02 -0.02 0.10 0.05 -0.02 0.09 0.05 -0.02 0.05 -0.01 -0.02 0.02 -0.02 -0.04 -0.04 -0.09 0.02 -0.01 0.01 -0.06 -0.05 -0.00 -0.18 0.25 0.15 0.15 0.14 -0.19 -0.09 -0.21 0.05 0.21 -0.03 0.14 -0.32 0.27 0.19 -0.25 -0.13 -0.28 -0.04 -0.03 0.02 0.02 -0.07 -0.11 0.07 0.05 -0.04 0.03 -0.11 0.02 0.01 -0.04 0.12 0.03 0.02 0.05 0.06 -0.02 -0.05 -0.03 0.14 0.07 -0.02 0.12 0.07 -0.03 0.05 -0.02 -0.01 0.00 -0.03 -0.04 -0.14 -0.17 0.02 -0.00 0.07 -0.08 0.03 0.00 -0.00 0.17 0.07 -0.01 0.02 0.06 0.01 -0.03 -0.05 -0.01 -0.06 0.02 0.04 -0.03 -0.04 -0.02 -0.09 -0.00 0.04 -0.03 -0.02 -0.05 -0.15 -0.07 0.21 0.11 -0.09 -0.02 0.03 0.06 0.17 0.07 -0.06 -0.03 0.04 -0.03 -0.00 -0.03 0.02 -0.01 -0.04 0.02 -0.02 -0.06 0.01 -0.01 -0.03 -0.01 -0.01 -0.06 -0.00 0.01 -0.06 -0.02 -0.01 0.03 0.00 -0.01 0.06 0.02 -0.02 0.06 0.02 -0.02 0.03 -0.01 -0.03 0.02 -0.01 -0.03 -0.02 -0.05 -0.01 -0.08 -0.09 -0.01 -0.18 -0.02 0.19 -0.15 -0.08 -0.07 -0.08 0.07 0.06 0.14 -0.10 -0.30 -0.06 -0.26 0.09 -0.42 -0.18 0.05 -0.03 0.12 0.28 0.16 -0.11 -0.06 0.00 -0.10 -0.06 0.09 -0.07 -0.02 -0.04 0.02 -0.04 -0.06 0.01 -0.01 -0.05 0.00 0.03 -0.07 -0.02 -0.01 0.08 0.03 -0.02 0.08 0.02 -0.01 0.02 -0.01 -0.03 0.01 -0.02 -0.04 -0.08 -0.09 -0.03 0.03 -0.02 0.01 -0.03 -0.00 0.06 0.10 -0.06 0.10 -0.01 -0.07 -0.03 -0.03 -0.03 -0.01 -0.05 0.09 -0.00 -0.04 0.05 -0.02 -0.04 0.03 0.10 0.05 0.01 -0.11 -0.07 0.04 0.04 0.04 0.02 0.05 0.03 -0.05 0.02 0.05 -0.02 -0.08 -0.03 0.09 -0.03 0.02 -0.02 -0.09 -0.00 -0.09 0.01 0.10 -0.02 -0.08 -0.01 -0.10 -0.02 0.13 -0.04 -0.07 0.09 -0.09 -0.03 -0.05 0.06 -0.02 -0.07 0.06 0.05 -0.08 0.07 0.02 -0.04 0.03 0.10 -0.06 0.06 0.10 -0.04 0.05 -0.06 -0.07 0.04 -0.09 -0.05 0.00 0.23 0.07 0.09 0.10 0.08 -0.05 0.08 0.10 -0.09 -0.07 -0.07 0.03 -0.19 -0.07 0.10 -0.15 -0.07 -0.06 0.06 0.07 0.04 -0.28 0.13 0.23 -0.05 -0.28 0.20 -0.12 -0.03 -0.07 0.04 0.11 0.02 -0.01 0.17 -0.03 -0.12 0.17 -0.15 -0.03 -0.08 0.05 0.08 -0.15 0.13 0.00 -0.00 -0.02 0.12 -0.07 0.06 0.13 -0.02 0.03 -0.09 0.02 -0.18 0.09 -0.06 0.21 -0.01 -0.15 -0.10 -0.01 0.02 -0.09 0.02 0.01 0.01 -0.06 0.00 0.07 -0.06 0.04 0.07 -0.05 0.04 0.01 0.03 -0.09 -0.01 -0.15 -0.11 -0.07 0.05 0.21 0.03 -0.01 -0.02 -0.10 0.06 0.22 0.04 0.05 -0.03 -0.03 0.04 -0.03 0.03 0.09 -0.02 0.05 0.04 -0.02 0.04 0.06 0.01 0.06 0.04 -0.01 0.05 0.04 0.00 0.07 0.01 0.02 -0.02 0.00 0.03 -0.02 -0.03 0.04 -0.02 -0.01 0.02 -0.01 -0.04 0.02 -0.02 -0.04 0.01 -0.03 -0.12 -0.01 0.02 -0.14 0.06 -0.00 0.15 -0.25 -0.12 0.01 -0.18 0.18 0.01 0.03 -0.15 -0.25 -0.04 -0.24 -0.15 -0.30 -0.07 -0.13 -0.07 -0.05 0.09 0.24 0.02 0.09 -0.06 -0.05 0.08 0.02 -0.02 0.11 -0.01 0.03 0.06 -0.02 0.05 0.05 -0.02 0.04 0.04 -0.01 0.10 0.00 0.04 -0.01 -0.03 0.07 -0.04 -0.00 0.01 0.00 -0.05 0.02 -0.02 -0.05 -0.00 -0.03 -0.01 0.02 0.01 -0.01 -0.02 -0.05 0.02 0.01 -0.05 0.03 0.01 -0.06 0.01 0.07 0.11 0.02 -0.05 0.07 0.02 -0.05 0.05 -0.00 -0.03 0.00 0.12 0.08 0.01 -0.04 -0.03 0.08 0.01 -0.03 0.02 0.02 0.01 -0.06 -0.01 -0.02 -0.02 -0.10 -0.03 0.11 -0.02 0.02 -0.02 0.06 0.04 0.01 -0.04 -0.07 -0.04 0.05 0.02 0.06 -0.01 -0.12 -0.01 0.01 -0.09 0.06 0.05 0.05 -0.06 0.05 0.02 -0.08 -0.03 0.05 -0.10 -0.00 -0.00 -0.02 -0.09 0.04 -0.05 -0.07 0.05 0.00 -0.03 -0.06 0.06 -0.07 -0.04 -0.01 0.25 0.12 0.11 0.11 0.12 -0.08 0.11 0.13 -0.08 -0.00 -0.05 0.12 -0.08 0.01 0.12 -0.06 -0.02 0.01 0.01 -0.00 0.06 -0.28 0.15 0.31 -0.08 -0.34 0.24 0.07 0.07 0.02 -0.10 -0.08 -0.08 -0.02 -0.17 -0.02 0.02 -0.16 0.14 0.09 0.02 -0.08 -0.05 0.11 -0.17 0.02 -0.05 0.03 -0.13 0.05 -0.05 -0.10 0.07 0.06 -0.00 -0.01 -0.02 0.01 0.02 0.07 0.05 0.08 0.03 0.24 -0.10 0.06 -0.03 0.04 0.09 -0.03 0.06 -0.11 0.02 0.05 -0.07 0.02 -0.03 0.04 -0.18 -0.09 -0.02 -0.00 0.05 -0.13 -0.02 0.04 -0.03 0.06 -0.03 0.07 0.00 0.02 0.03 -0.07 -0.04 0.11 -0.02 0.01 -0.02 -0.03 0.01 -0.03 -0.04 -0.02 -0.02 -0.03 0.00 -0.02 -0.03 -0.04 -0.03 -0.02 -0.04 -0.04 0.04 0.03 -0.02 0.04 -0.01 -0.03 0.01 0.01 -0.05 0.02 -0.03 0.01 -0.02 0.01 -0.01 -0.01 0.01 0.03 0.15 0.06 -0.10 0.12 -0.02 0.07 -0.40 -0.10 -0.13 -0.16 -0.13 0.06 -0.16 -0.21 0.15 0.05 0.06 -0.16 -0.01 0.04 -0.13 -0.02 -0.01 -0.13 -0.02 0.01 -0.06 -0.23 0.12 0.25 -0.08 -0.28 0.20 -0.06 0.00 -0.02 -0.08 -0.02 -0.03 -0.03 -0.03 -0.03 -0.02 -0.05 -0.02 0.08 -0.01 -0.03 0.00 0.03 -0.09 0.03 -0.05 0.03 -0.06 0.02 -0.02 -0.02 0.03 0.07 0.01 -0.01 -0.00 -0.00 0.01 0.02 -0.11 -0.02 -0.06 0.16 -0.06 0.01 0.08 -0.04 -0.14 -0.10 0.03 -0.02 -0.05 0.01 -0.03 -0.10 -0.07 0.03 0.01 0.06 -0.12 0.15 0.02 0.06 -0.01 0.01 -0.03 -0.06 -0.06 0.00 0.02 0.01 0.00 -0.13 0.04 0.04 -0.04 0.04 0.01 0.09 0.03 0.03 0.04 0.02 -0.03 0.09 0.01 0.05 0.04 -0.01 0.01 0.01 0.03 0.12 -0.05 -0.05 0.04 -0.08 -0.00 0.03 -0.04 -0.02 0.08 -0.04 0.05 -0.02 0.02 -0.01 0.01 -0.00 0.01 -0.05 0.03 0.02 -0.05 -0.06 -0.11 0.03 0.16 0.05 -0.07 0.04 0.07 -0.14 -0.02 0.12 -0.28 0.21 0.00 0.09 0.35 0.11 -0.09 0.20 -0.12 0.29 0.01 0.01 -0.06 -0.18 0.11 0.12 -0.11 -0.07 0.10 0.14 0.09 0.01 0.07 0.01 -0.06 0.05 -0.07 -0.01 -0.03 0.01 0.18 -0.16 -0.01 0.01 -0.03 -0.05 0.12 -0.05 0.09 -0.05 0.09 -0.04 0.01 0.02 -0.01 -0.10 -0.02 0.02 -0.04 0.03 0.04 0.13 0.04 0.08 0.05 -0.07 0.06 0.01 -0.07 0.01 0.09 -0.03 -0.09 -0.06 0.00 -0.08 -0.08 -0.06 -0.20 -0.09 0.02 0.10 -0.12 0.14 0.02 0.11 -0.05 0.01 -0.04 -0.03 -0.06 -0.02 -0.04 0.00 0.04 0.04 0.01 -0.02 0.03 -0.04 0.01 -0.03 -0.04 -0.03 -0.01 -0.02 0.04 -0.06 -0.02 -0.05 -0.01 0.02 -0.01 -0.02 -0.01 -0.08 0.03 0.03 -0.03 0.05 0.01 -0.02 0.04 0.02 -0.05 0.02 -0.03 0.02 -0.01 0.01 -0.00 0.00 -0.01 0.03 0.04 -0.10 -0.11 -0.05 -0.24 -0.10 0.16 0.20 0.04 -0.00 0.18 -0.29 0.02 0.15 -0.18 0.16 -0.06 0.29 0.27 0.21 0.00 0.18 -0.01 0.24 -0.03 0.03 -0.04 0.05 -0.04 -0.09 0.02 0.08 -0.06 -0.07 -0.10 -0.03 -0.02 -0.01 0.07 0.00 0.07 0.01 -0.02 0.02 -0.12 0.12 0.02 0.01 0.03 0.04 -0.07 0.03 -0.06 0.04 -0.06 0.03 -0.00 -0.01 -0.01 0.06 0.04 -0.05 0.04 -0.04 -0.02 -0.08 -0.09 -0.05 -0.06 0.10 -0.07 -0.01 -0.12 0.03 0.16 -0.11 0.06 0.04 -0.16 0.07 0.02 -0.08 0.12 0.08 0.01 0.03 -0.06 0.04 -0.02 0.04 0.01 0.02 -0.03 -0.03 0.03 0.01 0.10 0.05 -0.04 -0.03 -0.06 -0.07 0.02 -0.12 0.07 0.06 -0.12 -0.03 0.04 0.01 0.12 -0.07 -0.02 -0.02 0.09 0.10 0.01 -0.03 0.08 -0.03 0.06 0.05 -0.06 0.09 0.01 -0.04 0.06 0.06 -0.07 0.04 -0.03 0.05 -0.02 0.00 -0.02 0.00 -0.02 0.05 -0.20 0.07 0.04 -0.09 0.11 0.08 0.14 -0.02 -0.05 0.05 0.01 -0.01 -0.03 0.08 -0.22 0.07 0.01 -0.02 0.16 -0.02 -0.06 0.07 -0.12 0.19 0.04 -0.01 -0.09 0.02 -0.16 -0.20 -0.03 0.10 -0.13 0.09 -0.20 -0.08 0.09 0.04 0.25 0.17 0.18 -0.02 -0.08 0.15 -0.08 0.19 0.01 -0.01 0.04 0.12 -0.09 0.06 -0.05 0.10 -0.10 0.02 -0.03 -0.03 -0.02 0.09 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 -0.01 0.00 0.00 -0.02 0.00 0.00 -0.01 0.01 0.01 -0.00 0.00 -0.01 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.01 0.00 -0.00 -0.00 -0.01 -0.00 0.01 -0.01 -0.01 0.00 -0.00 0.01 0.01 -0.00 -0.00 0.01 -0.00 -0.00 -0.01 0.00 0.01 0.01 0.00 -0.00 -0.01 -0.00 0.00 0.01 0.17 0.14 -0.02 -0.16 -0.13 -0.02 -0.16 -0.13 0.02 0.16 0.13 0.00 0.00 -0.00 -0.03 0.00 -0.00 -0.01 0.01 0.01 0.01 0.00 -0.00 0.00 0.00 -0.01 -0.00 0.01 -0.02 0.01 -0.00 0.01 0.01 0.00 -0.00 0.01 -0.01 0.02 0.01 0.00 -0.01 -0.00 -0.00 0.01 -0.01 -0.02 -0.00 -0.02 0.01 0.02 0.01 0.00 0.00 -0.04 0.01 0.03 0.01 0.00 -0.00 0.03 0.35 0.28 -0.04 -0.35 -0.26 -0.05 -0.34 -0.29 0.04 0.36 0.29 0.00 0.00 -0.00 0.01 -0.04 0.01 -0.02 -0.00 0.01 0.05 -0.04 0.03 0.01 -0.04 0.00 0.04 0.02 -0.00 0.00 -0.08 -0.04 -0.18 -0.03 -0.02 0.02 0.09 0.02 -0.03 0.05 -0.04 0.00 0.01 0.06 -0.06 -0.00 -0.05 0.04 0.04 0.02 0.19 0.14 -0.06 0.06 -0.05 0.01 0.09 0.00 -0.08 -0.11 0.04 0.07 0.04 -0.01 -0.06 0.07 0.01 -0.03 -0.15 -0.00 0.09 0.10 -0.03 -0.06 -0.00 0.01 0.03 -0.02 -0.02 -0.01 -0.02 -0.00 0.02 -0.01 0.02 -0.01 -0.01 -0.02 -0.02 -0.01 0.03 -0.00 -0.29 -0.06 -0.01 0.04 0.13 0.03 -0.01 0.14 0.06 -0.11 0.12 -0.18 -0.00 0.09 0.03 -0.02 -0.06 0.23 0.01 0.14 0.06 0.01 0.10 0.03 -0.11 -0.07 -0.08 0.04 0.02 0.11 0.00 -0.16 0.01 -0.31 0.08 0.21 0.03 -0.02 -0.08 -0.38 0.01 0.24 0.15 -0.05 -0.06 -0.06 -0.06 -0.05 -0.02 -0.01 0.02 -0.01 0.01 -0.02 0.01 -0.06 -0.04 -0.00 0.04 0.00 -0.01 -0.02 0.00 -0.01 0.00 0.03 0.03 -0.02 0.03 -0.01 -0.02 0.01 0.01 -0.02 -0.04 0.07 -0.11 -0.07 -0.08 -0.06 -0.01 0.07 0.06 -0.01 -0.02 0.03 0.00 -0.02 0.02 0.03 -0.05 -0.02 -0.03 0.04 0.03 0.02 0.15 0.11 -0.05 0.03 0.04 0.04 -0.11 0.06 0.06 0.09 0.02 -0.08 -0.09 0.01 0.02 -0.08 0.01 0.04 0.14 -0.06 -0.12 -0.12 -0.02 0.06 -0.01 -0.01 -0.00 -0.00 0.01 0.02 -0.00 -0.01 0.00 0.00 -0.00 0.00 0.01 0.01 0.01 0.01 -0.01 -0.00 -0.18 -0.09 -0.01 0.10 0.11 0.01 -0.08 0.12 0.07 -0.13 0.10 -0.14 0.03 0.04 0.16 -0.08 -0.05 0.21 -0.09 0.13 0.08 -0.02 0.18 -0.09 -0.11 -0.07 -0.02 0.09 -0.02 -0.02 0.10 0.14 0.05 0.31 -0.00 -0.24 -0.11 0.00 -0.02 0.39 -0.11 -0.29 -0.12 -0.03 0.08 -0.01 0.01 0.02 0.00 -0.02 0.00 -0.00 -0.01 -0.01 0.01 0.02 0.02 0.01 -0.02 -0.01 -0.08 0.04 -0.00 -0.01 -0.05 -0.05 0.00 0.04 -0.01 -0.03 0.07 -0.00 -0.02 -0.00 0.01 -0.05 0.08 -0.05 0.14 -0.09 0.19 -0.02 -0.09 -0.00 -0.06 -0.06 -0.07 0.07 0.08 -0.04 -0.00 -0.14 0.23 -0.04 -0.07 -0.04 0.24 0.17 -0.09 -0.01 0.03 -0.00 0.01 -0.00 0.00 -0.01 -0.01 -0.00 0.01 -0.01 0.00 0.00 -0.01 -0.01 -0.01 0.00 0.01 0.00 -0.00 -0.01 0.00 -0.01 -0.01 0.01 0.00 0.00 0.00 0.00 -0.01 0.00 -0.00 0.01 -0.00 0.01 0.01 0.00 -0.01 -0.00 0.37 0.05 0.28 -0.00 0.11 0.05 -0.08 -0.16 -0.18 0.02 -0.14 0.09 -0.08 -0.09 -0.13 0.12 0.07 0.00 0.13 0.15 -0.09 0.08 0.02 0.04 -0.22 -0.19 0.41 -0.04 0.03 -0.01 -0.01 0.01 0.00 -0.03 -0.02 0.01 0.01 -0.01 0.01 -0.03 0.02 0.03 -0.01 0.00 -0.02 0.02 0.01 0.01 0.00 0.01 -0.00 0.01 0.01 0.01 -0.01 0.02 0.02 -0.00 -0.02 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.01 0.03 0.01 0.01 -0.00 0.01 -0.01 0.13 0.07 -0.02 -0.04 0.03 0.02 -0.00 0.01 0.01 -0.02 -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 -0.01 0.01 -0.02 -0.03 0.07 -0.00 -0.03 -0.02 0.02 -0.07 0.04 -0.01 0.02 -0.07 0.01 -0.02 -0.03 -0.08 -0.03 -0.04 0.02 0.20 0.22 -0.03 -0.02 0.01 -0.05 -0.03 0.02 -0.01 -0.07 -0.11 -0.02 -0.09 -0.08 -0.00 0.17 0.08 0.02 0.02 0.01 -0.04 -0.01 -0.00 0.02 -0.03 -0.03 0.03 -0.02 0.02 -0.02 -0.00 -0.07 0.03 0.01 -0.04 0.04 -0.02 -0.02 0.01 -0.06 0.05 0.01 0.01 0.01 0.06 -0.08 -0.08 0.07 0.10 -0.01 0.00 -0.12 -0.06 0.06 -0.07 0.02 0.07 0.04 -0.04 -0.11 -0.02 -0.02 -0.14 -0.25 -0.19 -0.08 -0.29 -0.17 -0.04 -0.31 -0.31 0.01 -0.34 -0.27 0.01 0.23 0.13 0.02 -0.02 0.01 -0.01 -0.01 -0.04 0.17 -0.04 0.08 -0.02 0.01 -0.03 -0.01 -0.03 -0.03 -0.18 0.14 0.10 -0.08 0.08 0.02 -0.08 -0.00 0.03 -0.02 0.01 -0.05 0.01 -0.03 0.03 -0.02 0.04 0.01 0.05 -0.01 -0.03 -0.02 0.01 0.02 0.21 0.04 0.12 0.04 0.12 0.00 -0.05 0.07 -0.07 -0.06 -0.01 -0.02 -0.06 -0.01 -0.00 0.01 -0.10 -0.02 -0.05 -0.10 -0.03 -0.01 -0.05 -0.04 -0.00 -0.00 0.00 0.01 -0.00 0.00 0.00 0.02 0.02 0.01 0.02 0.02 0.00 -0.04 -0.02 -0.01 0.10 0.02 -0.18 -0.03 -0.00 0.12 -0.08 -0.08 0.14 -0.05 0.07 -0.09 -0.00 -0.32 0.14 0.05 -0.17 0.16 -0.10 -0.09 0.02 -0.28 0.23 -0.00 0.01 -0.04 0.27 0.06 0.18 0.24 0.04 0.14 -0.01 0.04 -0.10 -0.16 -0.04 -0.12 0.06 -0.11 -0.06 -0.00 -0.12 -0.05 0.01 0.04 0.04 0.01 0.05 0.04 0.01 0.07 0.06 0.01 0.07 0.06 0.00 -0.05 -0.03 -0.01 0.04 -0.02 0.00 -0.02 -0.03 0.01 -0.01 0.02 0.01 -0.01 0.00 0.00 -0.00 -0.00 -0.04 -0.10 -0.10 -0.04 -0.11 0.14 0.01 0.09 0.03 -0.10 -0.01 -0.14 0.01 0.01 0.02 0.22 0.07 0.07 0.01 0.02 0.01 -0.11 -0.09 0.05 0.02 -0.00 0.01 0.01 0.01 -0.00 -0.01 0.01 -0.01 -0.01 0.00 -0.00 -0.01 0.00 0.00 0.00 -0.01 -0.00 -0.00 -0.01 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.12 -0.09 0.19 0.08 0.27 0.08 -0.08 0.00 -0.11 -0.16 0.01 -0.18 -0.09 0.02 -0.10 -0.05 -0.09 0.28 0.06 0.22 -0.01 0.05 0.13 0.06 0.53 0.36 0.03 0.04 -0.01 0.02 0.02 0.01 0.00 0.00 0.01 -0.01 -0.02 -0.00 -0.01 0.01 -0.01 -0.01 0.01 -0.01 -0.01 0.00 0.00 -0.00 0.00 0.00 0.01 -0.00 0.00 0.00 0.00 -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 0.01 -0.03 0.01 0.02 -0.01 -0.06 -0.08 -0.03 0.02 0.01 0.01 0.00 0.00 -0.01 -0.02 0.01 -0.01 0.00 -0.02 0.01 -0.00 0.01 -0.00 0.00 0.00 0.01 0.01 0.01 0.00 0.00 0.00 0.01 -0.13 -0.08 0.14 -0.06 -0.20 0.01 0.00 0.05 -0.14 0.09 0.03 -0.19 0.02 0.24 0.04 0.03 -0.05 0.10 0.07 0.06 0.01 0.07 0.04 0.01 0.00 0.01 0.01 0.02 -0.00 0.01 -0.03 -0.02 0.00 -0.03 -0.03 0.01 0.03 0.04 0.04 0.01 -0.00 -0.02 -0.03 0.01 0.00 -0.01 -0.02 0.01 -0.01 -0.00 -0.02 -0.00 -0.05 0.03 0.01 -0.02 0.04 -0.01 -0.02 0.01 -0.05 0.05 -0.01 -0.00 0.01 -0.11 0.04 0.13 -0.15 -0.42 -0.08 0.16 0.12 -0.00 -0.28 0.13 0.17 0.16 -0.09 -0.17 0.41 0.00 -0.12 0.01 -0.09 -0.06 -0.00 -0.08 -0.08 -0.00 -0.13 -0.09 -0.02 -0.12 -0.11 0.01 0.02 0.04 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.02 -0.01 0.01 -0.00 0.00 -0.00 -0.10 0.27 -0.15 -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 0.00 0.00 0.01 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.04 0.00 0.04 -0.09 0.06 0.12 -0.01 0.17 -0.03 -0.25 0.02 0.02 0.26 0.00 -0.11 -0.07 -0.15 -0.03 0.02 -0.05 -0.21 0.07 -0.10 -0.09 -0.12 0.14 0.03 0.04 -0.06 0.01 -0.06 0.11 0.14 0.07 -0.09 0.21 -0.12 0.08 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 -0.02 0.01 -0.00 -0.00 0.01 -0.00 -0.00 -0.00 -0.02 0.02 0.00 0.00 -0.00 -0.04 -0.03 -0.00 -0.01 -0.06 0.01 0.09 -0.13 0.15 0.01 -0.23 0.08 -0.07 0.03 -0.14 0.10 -0.21 0.14 0.08 -0.09 0.20 0.12 -0.08 0.19 -0.05 0.14 -0.01 0.00 0.15 -0.06 0.18 -0.13 0.13 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.11 -0.05 -0.03 0.05 -0.01 -0.01 -0.19 -0.12 -0.11 0.07 -0.03 -0.02 -0.02 -0.00 0.01 -0.01 0.01 -0.02 0.04 -0.00 0.05 0.01 0.02 -0.03 0.00 -0.00 -0.00 -0.07 -0.04 -0.02 0.00 -0.00 0.00 -0.02 0.23 0.08 0.12 0.13 0.01 0.02 0.04 -0.07 0.09 -0.01 0.03 -0.08 -0.05 0.02 0.02 -0.08 0.16 0.06 -0.11 -0.04 -0.05 0.14 -0.03 -0.01 0.06 0.02 0.12 0.10 -0.04 -0.07 -0.10 0.02 0.05 -0.05 -0.05 0.08 0.01 0.14 -0.08 -0.02 0.01 0.02 0.02 -0.01 0.00 0.01 0.04 -0.00 0.00 0.03 0.06 0.00 0.12 -0.04 0.01 0.01 -0.05 0.02 0.01 0.00 0.12 -0.11 0.02 0.00 -0.01 0.04 0.27 0.16 -0.03 0.15 0.10 -0.03 0.02 -0.04 -0.09 -0.03 -0.05 -0.08 -0.03 0.25 0.09 -0.07 -0.12 0.13 -0.11 -0.07 0.11 -0.10 -0.14 -0.11 -0.26 -0.17 -0.13 -0.23 -0.23 0.09 -0.02 0.08 0.01 -0.01 0.00 0.00 -0.00 -0.00 -0.05 -0.01 -0.02 0.02 0.00 -0.00 -0.02 -0.02 0.05 0.03 -0.02 -0.02 -0.01 -0.00 0.01 -0.01 -0.00 -0.01 0.02 -0.00 0.02 0.01 0.01 -0.02 -0.00 0.02 0.01 -0.04 -0.03 -0.01 -0.02 0.01 0.00 -0.01 0.07 0.01 0.08 0.04 -0.02 -0.04 0.01 -0.06 0.03 0.02 0.05 -0.09 -0.04 0.01 0.04 -0.02 0.08 -0.01 -0.06 -0.03 -0.06 -0.07 0.08 0.07 -0.19 0.19 -0.29 0.01 0.00 0.35 0.01 -0.02 -0.04 0.22 -0.24 0.06 0.04 -0.11 -0.02 -0.02 0.01 0.01 0.01 0.00 -0.00 0.00 0.02 -0.01 0.00 0.01 0.03 0.00 0.06 -0.02 0.00 0.01 -0.02 0.02 0.00 0.01 0.07 -0.06 0.01 0.04 0.01 -0.01 0.11 0.06 -0.05 0.01 0.01 -0.05 -0.03 -0.06 -0.07 0.02 0.04 0.06 0.02 0.09 0.03 0.00 -0.14 -0.10 -0.13 0.19 -0.25 -0.03 0.11 0.32 0.11 -0.06 0.12 0.23 -0.18 -0.20 -0.11 0.15 0.13 -0.14 0.07 -0.00 -0.04 -0.08 0.04 0.04 -0.07 -0.06 0.07 0.01 -0.01 -0.00 0.00 0.08 -0.07 -0.07 0.01 -0.03 0.12 -0.00 -0.13 0.06 -0.01 -0.01 -0.01 0.03 0.03 -0.05 -0.20 0.35 0.07 -0.01 -0.13 -0.04 -0.22 0.30 0.04 -0.01 0.00 -0.02 -0.03 -0.01 0.01 0.01 -0.01 0.01 -0.00 -0.00 -0.01 0.03 -0.00 -0.01 -0.00 0.01 -0.01 0.00 0.02 0.01 0.00 0.00 -0.01 -0.00 0.02 -0.01 0.02 0.00 -0.00 -0.02 0.00 0.00 0.00 -0.01 0.02 -0.00 -0.00 0.01 0.16 -0.14 -0.09 0.04 0.05 0.11 -0.08 0.01 -0.02 -0.09 0.00 -0.05 0.04 -0.00 0.12 -0.05 -0.01 0.06 0.01 0.10 -0.04 0.05 0.16 -0.09 -0.13 0.55 0.19 -0.11 0.04 -0.00 0.04 -0.07 0.04 -0.00 -0.00 0.02 0.03 -0.00 -0.00 -0.01 0.00 -0.01 -0.03 0.02 0.04 0.01 -0.01 -0.02 0.02 0.00 -0.02 -0.02 -0.03 -0.01 -0.01 -0.02 0.00 0.01 -0.01 -0.02 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.09 -0.02 -0.03 0.04 0.00 -0.00 0.18 0.12 0.00 0.06 -0.02 -0.02 -0.05 -0.00 0.02 -0.03 -0.01 -0.03 0.05 -0.00 0.05 0.02 0.04 -0.05 0.01 0.00 0.01 -0.08 -0.05 -0.02 0.00 -0.00 0.01 -0.01 0.10 0.01 0.24 0.00 -0.02 -0.03 0.02 -0.00 0.01 -0.11 0.14 -0.18 0.10 0.02 0.03 -0.03 0.01 -0.11 -0.06 -0.13 0.06 -0.05 0.01 -0.01 -0.01 -0.10 0.01 -0.11 0.02 -0.06 0.08 0.01 -0.01 -0.03 0.15 -0.07 -0.04 -0.08 -0.10 -0.02 0.03 -0.01 0.00 -0.02 0.01 -0.00 0.04 0.01 -0.00 0.05 0.07 0.00 0.12 -0.03 0.03 -0.01 -0.03 0.04 -0.01 0.02 0.13 -0.12 0.05 0.02 -0.02 -0.04 0.19 0.13 -0.13 -0.07 -0.01 -0.06 -0.18 -0.05 -0.15 -0.09 0.22 0.17 0.16 -0.01 0.13 -0.09 -0.30 -0.08 0.10 -0.03 0.00 0.03 0.06 -0.02 0.20 0.19 0.08 0.12 0.29 0.01 0.05 -0.12 0.01 -0.02 0.01 0.01 0.01 0.01 -0.05 -0.03 -0.08 -0.05 -0.01 -0.01 0.02 0.02 -0.01 -0.07 -0.05 -0.00 0.28 0.04 -0.08 0.09 0.13 0.10 -0.11 -0.01 -0.14 -0.07 -0.16 0.16 -0.06 0.02 -0.03 0.05 0.10 0.03 -0.03 0.04 -0.04 -0.03 0.06 -0.01 0.05 0.03 0.01 -0.01 0.01 -0.02 0.03 -0.02 0.04 -0.05 0.01 0.00 0.02 -0.02 0.06 -0.02 -0.04 -0.04 0.00 0.01 0.00 -0.01 -0.01 -0.01 0.00 -0.01 -0.00 -0.01 0.01 0.00 0.00 0.00 0.01 -0.00 -0.01 -0.01 0.43 0.05 -0.12 0.12 0.12 0.10 -0.05 0.04 -0.07 -0.15 0.04 -0.24 -0.12 0.03 -0.18 -0.04 -0.17 0.18 -0.02 -0.13 0.12 -0.07 -0.23 0.23 -0.28 -0.08 0.11 -0.08 0.11 0.04 -0.02 -0.03 0.03 -0.00 -0.04 -0.05 -0.01 -0.03 0.03 0.05 0.04 0.06 0.03 -0.02 -0.10 -0.01 0.01 0.00 0.00 -0.01 0.00 -0.00 0.04 0.03 0.01 0.02 0.03 0.01 0.01 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.01 0.00 -0.02 -0.01 0.00 0.01 0.00 0.02 -0.01 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.01 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 0.01 -0.01 -0.04 0.11 -0.00 -0.07 -0.11 0.02 0.03 -0.08 0.03 0.09 0.13 -0.03 -0.10 0.18 -0.04 -0.02 -0.08 -0.02 0.07 -0.02 -0.01 -0.03 -0.02 0.01 0.02 0.01 0.03 -0.00 -0.03 -0.03 -0.01 0.01 -0.02 -0.04 0.02 0.01 0.03 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 0.01 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.01 -0.01 -0.03 0.05 0.04 -0.05 -0.13 -0.04 -0.41 0.05 0.24 -0.41 0.08 0.27 0.02 -0.02 0.08 -0.47 0.06 0.31 0.02 0.07 0.08 0.03 0.08 0.08 -0.04 0.02 -0.02 -0.02 0.02 -0.02 0.04 0.08 0.09 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.01 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.02 0.01 0.00 -0.00 0.01 0.02 -0.00 0.01 0.01 -0.02 -0.01 -0.03 0.02 0.02 -0.04 0.01 -0.02 -0.00 0.01 -0.02 0.01 -0.11 -0.06 0.02 0.07 0.05 -0.01 0.05 0.07 0.01 -0.11 -0.10 -0.02 -0.13 -0.08 -0.01 0.09 0.04 0.01 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.01 0.02 0.01 0.00 0.02 0.01 0.06 -0.03 -0.03 0.06 -0.03 -0.02 0.00 0.03 -0.04 0.09 -0.02 -0.07 0.04 0.39 0.30 0.02 0.40 0.34 0.04 0.07 0.07 0.04 0.07 0.09 0.03 0.46 0.34 -0.01 0.01 -0.00 -0.00 0.00 0.01 0.04 0.03 -0.11 -0.07 0.02 0.05 0.06 0.09 -0.00 -0.01 0.02 0.01 -0.06 -0.03 0.00 0.02 -0.05 0.09 0.01 0.00 0.01 0.02 0.04 -0.04 0.01 -0.02 -0.03 0.04 -0.01 0.04 0.02 -0.03 -0.00 -0.01 -0.12 -0.08 -0.08 0.02 0.01 -0.06 0.03 -0.11 0.04 0.08 0.04 -0.02 -0.01 -0.01 0.06 -0.05 0.22 0.01 -0.09 0.03 -0.04 0.05 -0.01 -0.07 -0.03 0.01 0.02 0.01 -0.06 -0.08 -0.03 0.02 0.03 0.02 -0.05 0.05 -0.06 0.02 0.03 -0.03 -0.03 0.02 -0.04 0.10 -0.02 0.01 0.01 0.00 -0.00 0.02 0.01 -0.01 0.05 0.05 0.06 -0.07 0.04 0.03 -0.06 0.02 -0.00 0.00 0.09 0.02 -0.08 -0.17 -0.05 -0.06 0.03 -0.21 -0.02 0.11 0.02 -0.22 0.31 -0.01 -0.26 0.31 -0.11 0.05 0.21 -0.03 -0.21 -0.00 0.08 0.12 0.06 0.10 0.10 -0.10 0.22 0.09 -0.04 0.22 0.09 0.09 0.17 0.17 0.01 -0.02 0.01 0.00 -0.01 -0.02 -0.06 0.01 0.24 0.14 -0.04 -0.09 0.05 0.05 -0.00 0.03 -0.03 -0.01 0.10 0.05 0.01 -0.07 0.04 -0.23 0.00 -0.00 -0.01 -0.02 -0.06 0.04 -0.02 0.04 0.08 -0.07 0.06 -0.05 -0.04 0.07 0.02 -0.02 -0.12 0.02 -0.02 -0.02 -0.04 -0.04 0.01 -0.07 -0.00 0.07 -0.01 -0.01 -0.02 0.01 0.04 -0.03 0.09 0.02 -0.04 0.04 -0.03 0.05 0.00 -0.05 -0.03 0.00 0.02 0.00 -0.05 -0.06 -0.02 0.01 0.02 0.01 -0.04 0.03 -0.05 0.00 -0.12 0.05 0.10 -0.10 -0.02 -0.26 0.05 -0.02 -0.01 0.02 -0.00 -0.02 -0.01 0.01 -0.07 -0.08 -0.09 0.12 -0.07 -0.03 0.08 -0.03 0.05 -0.04 -0.17 -0.01 0.19 0.23 -0.31 -0.15 -0.17 0.21 -0.22 -0.01 0.06 -0.07 0.01 0.06 -0.08 0.08 -0.11 0.04 0.09 -0.01 -0.05 -0.01 0.05 0.08 0.04 0.08 0.07 -0.07 0.18 0.08 -0.03 0.19 0.09 0.07 0.15 0.15 0.00 0.00 0.00 0.00 0.00 0.00 0.01 -0.00 -0.01 -0.01 0.00 0.00 -0.01 -0.04 -0.02 -0.01 0.01 0.00 -0.01 -0.02 0.00 0.01 -0.00 0.02 0.00 0.00 0.00 0.00 0.01 -0.00 -0.00 -0.00 -0.01 0.01 -0.01 -0.00 -0.00 -0.00 -0.01 -0.01 0.03 0.02 -0.02 -0.00 0.01 0.02 -0.02 0.01 0.03 -0.01 -0.04 -0.03 -0.02 0.03 0.01 0.01 -0.05 0.05 0.01 -0.01 0.01 0.13 0.10 -0.00 -0.05 -0.04 0.00 -0.04 -0.04 -0.00 -0.01 -0.01 0.00 -0.01 -0.01 -0.01 -0.08 -0.06 0.03 -0.01 -0.01 0.02 0.03 0.03 -0.00 -0.00 0.00 0.01 -0.00 0.01 -0.00 -0.00 0.00 0.01 0.01 -0.02 0.01 0.00 -0.01 0.00 -0.01 0.01 0.03 0.02 -0.02 0.01 0.00 -0.01 0.05 0.07 0.04 0.01 0.00 0.02 -0.26 0.05 0.17 -0.31 0.03 0.16 -0.20 0.04 0.16 0.02 0.05 0.04 0.01 0.03 0.01 0.04 0.34 0.27 0.02 0.34 0.26 0.04 0.39 0.32 0.01 -0.01 0.01 0.00 0.00 0.02 -0.01 -0.03 0.00 -0.01 -0.04 -0.02 0.03 0.05 -0.01 -0.06 0.04 0.04 0.00 -0.13 0.01 0.04 -0.05 -0.04 0.00 0.01 0.03 0.01 0.06 -0.04 -0.01 -0.00 -0.01 0.07 0.16 0.04 -0.05 0.03 -0.10 -0.05 -0.03 -0.01 -0.04 0.00 0.02 -0.01 0.02 -0.03 0.08 -0.00 -0.03 -0.09 0.03 0.05 0.07 -0.02 0.02 0.05 -0.03 -0.05 -0.01 -0.07 -0.05 -0.00 0.01 0.01 -0.00 0.01 0.02 0.00 0.01 0.00 0.00 -0.00 0.01 0.00 0.04 0.03 -0.02 -0.13 0.02 0.01 -0.06 -0.05 0.03 -0.03 -0.00 0.10 -0.02 0.10 -0.04 -0.03 -0.07 0.07 0.08 -0.09 0.06 0.07 -0.08 0.01 -0.03 0.02 0.06 0.16 0.07 0.01 -0.11 -0.10 -0.01 0.09 -0.03 0.11 -0.01 -0.12 -0.38 0.07 0.25 -0.38 0.06 0.33 -0.24 0.02 0.14 -0.01 0.02 0.01 -0.00 0.01 0.03 -0.02 -0.14 -0.11 -0.00 -0.15 -0.11 -0.01 -0.18 -0.16 -0.02 0.02 -0.02 -0.01 -0.01 -0.04 0.03 0.04 -0.02 -0.01 0.04 0.01 0.04 0.04 0.00 0.08 -0.06 -0.05 -0.01 0.17 -0.02 -0.06 0.00 0.07 -0.00 -0.02 -0.04 0.00 -0.05 0.03 0.02 0.01 0.03 -0.03 -0.11 -0.03 0.07 -0.03 0.15 0.01 -0.06 -0.00 -0.06 -0.00 0.03 -0.01 0.01 -0.03 0.07 0.01 -0.05 -0.08 0.02 0.06 0.05 -0.02 0.00 0.06 -0.02 -0.04 -0.01 -0.05 -0.04 -0.01 0.01 0.02 -0.00 0.01 0.01 -0.01 0.00 0.01 0.00 0.00 -0.00 0.01 0.03 0.02 0.04 0.17 -0.04 -0.07 -0.06 0.06 -0.06 0.05 0.00 -0.16 0.03 -0.14 0.06 0.04 0.13 -0.06 -0.07 0.08 -0.04 -0.05 0.06 0.00 0.04 -0.03 -0.07 -0.19 -0.08 -0.01 -0.11 -0.07 0.06 0.01 0.01 0.15 -0.01 -0.14 -0.35 0.08 0.22 -0.40 0.04 0.31 -0.25 0.02 0.16 -0.02 -0.01 0.00 0.00 0.04 0.05 -0.03 -0.10 -0.10 -0.01 -0.09 -0.08 -0.01 -0.14 -0.12 -0.01 0.01 -0.01 -0.00 -0.01 -0.04 -0.03 -0.09 -0.06 -0.05 -0.09 -0.03 -0.04 -0.03 -0.01 0.06 -0.09 -0.03 0.01 0.12 -0.01 -0.14 -0.19 0.02 0.00 -0.02 -0.04 0.03 0.04 -0.06 0.04 0.03 0.10 0.14 0.36 0.10 0.04 0.02 0.16 0.02 0.02 0.01 0.02 0.02 0.00 0.01 0.01 0.02 -0.02 -0.02 0.02 0.03 0.00 -0.02 -0.02 0.00 -0.01 -0.02 0.01 0.00 0.01 0.03 0.03 0.02 -0.00 -0.01 -0.00 -0.01 0.00 0.02 0.00 -0.01 -0.01 -0.01 0.01 -0.01 -0.01 -0.02 -0.00 0.13 0.02 -0.30 -0.55 -0.10 -0.08 0.06 0.01 -0.17 0.03 -0.14 0.08 0.04 0.18 0.03 0.02 -0.00 0.06 0.07 -0.08 0.04 0.06 -0.05 -0.12 -0.11 0.13 0.02 0.06 0.07 0.03 -0.04 0.03 -0.02 0.01 0.04 0.10 -0.04 -0.06 0.10 0.01 -0.08 0.04 -0.01 -0.02 0.01 -0.01 -0.02 -0.01 -0.01 -0.01 0.04 0.04 0.06 0.02 0.06 0.07 -0.01 0.09 0.07 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.01 -0.00 -0.00 0.01 0.02 -0.01 0.01 -0.00 0.01 0.01 -0.00 -0.01 -0.00 0.02 -0.00 -0.02 -0.01 0.00 -0.00 -0.00 -0.00 0.01 0.00 0.00 0.00 0.01 0.00 0.01 0.00 0.00 0.02 -0.00 0.02 -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 -0.01 0.01 -0.01 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.01 0.06 0.05 -0.00 -0.05 -0.06 -0.01 0.05 0.05 -0.00 -0.04 -0.06 0.01 -0.01 0.01 -0.04 -0.02 0.00 0.03 -0.01 -0.02 -0.00 -0.01 -0.01 0.02 -0.00 0.01 -0.01 -0.01 -0.03 0.00 0.00 -0.00 -0.00 -0.01 0.01 -0.00 -0.01 0.01 -0.01 -0.01 0.01 -0.01 0.03 0.01 0.00 -0.01 0.01 0.03 -0.01 -0.01 -0.00 0.00 0.01 -0.01 0.01 -0.01 0.00 0.01 -0.01 -0.07 -0.42 -0.33 0.05 0.43 0.33 -0.07 -0.33 -0.28 0.01 0.36 0.25 0.01 -0.02 -0.00 0.00 -0.00 0.00 0.00 0.01 0.02 -0.02 -0.02 0.03 -0.00 0.01 -0.08 0.20 -0.08 0.13 -0.01 -0.05 -0.02 0.03 -0.01 0.01 -0.08 -0.01 0.16 0.03 -0.02 0.02 0.01 0.04 -0.05 -0.00 -0.02 -0.04 0.00 0.05 -0.04 -0.01 -0.01 -0.07 0.03 0.09 0.09 0.04 -0.03 -0.02 -0.01 -0.08 0.02 -0.00 0.02 -0.05 -0.01 -0.11 0.04 -0.07 0.07 -0.11 -0.03 0.04 0.02 0.02 -0.05 -0.02 -0.13 -0.04 0.05 0.03 0.08 -0.08 -0.20 -0.03 0.04 0.03 0.14 -0.15 0.08 -0.02 0.06 0.23 0.00 -0.06 -0.12 0.07 0.17 0.01 0.04 0.07 -0.08 0.02 -0.05 0.07 0.03 0.12 0.03 0.02 -0.02 0.06 0.07 -0.08 0.02 0.02 -0.01 0.05 0.04 -0.04 0.14 0.03 0.04 0.03 0.20 0.05 -0.01 -0.08 0.02 -0.12 0.08 0.15 -0.05 0.02 -0.15 0.18 0.05 -0.17 -0.10 0.07 0.16 0.04 0.03 -0.09 -0.28 0.14 -0.10 -0.19 0.05 -0.28 0.06 -0.15 -0.05 0.01 -0.00 0.01 0.01 0.01 0.04 -0.03 0.02 0.08 0.01 0.03 -0.12 -0.08 0.04 -0.06 -0.00 -0.10 -0.04 0.06 0.01 0.02 -0.16 0.02 0.25 0.05 -0.03 0.05 0.02 0.05 -0.08 0.01 -0.04 -0.07 -0.04 0.03 -0.08 -0.04 -0.02 -0.16 0.04 -0.10 0.04 0.00 0.00 -0.01 0.00 0.04 -0.02 -0.01 0.01 0.00 0.01 0.04 -0.02 0.01 -0.03 0.03 0.01 -0.02 0.02 -0.01 0.02 0.01 0.06 0.04 -0.01 -0.01 -0.05 0.02 0.08 0.03 -0.01 -0.01 -0.07 0.05 -0.03 0.01 -0.02 0.36 0.04 -0.07 -0.24 0.16 0.27 0.03 0.06 0.14 -0.13 0.04 -0.10 0.12 0.06 0.21 0.03 0.02 -0.00 0.08 0.12 -0.12 0.04 0.05 -0.03 0.07 0.05 -0.05 0.15 -0.21 -0.07 -0.05 0.11 -0.10 -0.07 0.06 0.03 0.03 -0.01 -0.08 0.05 -0.06 -0.00 0.01 -0.05 0.06 0.02 -0.16 -0.17 -0.00 0.12 0.14 0.10 -0.17 -0.05 0.08 0.06 0.18 -0.03 0.03 -0.01 0.01 -0.01 0.01 0.01 0.00 0.02 -0.01 0.01 -0.03 0.01 -0.01 0.03 0.01 -0.02 0.02 0.01 -0.02 -0.01 0.02 0.04 0.01 -0.06 0.03 -0.03 0.00 -0.00 0.00 0.01 -0.00 -0.01 0.04 -0.01 0.01 -0.03 -0.00 0.03 -0.05 0.01 -0.11 0.08 -0.01 -0.02 0.01 0.01 0.01 -0.07 0.02 0.06 -0.05 -0.00 0.04 0.01 -0.00 0.00 0.01 0.01 -0.03 0.05 -0.01 -0.06 0.00 -0.00 0.00 -0.01 0.00 0.01 0.01 0.01 -0.01 -0.02 -0.01 0.00 -0.00 0.01 -0.01 0.00 -0.01 0.00 -0.12 0.05 0.08 -0.07 -0.03 -0.05 0.02 -0.01 0.01 0.00 0.00 -0.01 0.00 0.00 -0.01 -0.03 -0.03 0.04 -0.02 0.02 0.01 0.01 0.06 -0.04 -0.14 -0.07 0.13 -0.02 0.13 0.14 0.02 -0.23 0.02 0.51 -0.06 -0.33 0.34 -0.07 -0.20 -0.12 0.05 0.07 -0.38 0.05 0.24 -0.02 -0.01 -0.01 0.00 -0.02 -0.04 -0.02 0.02 0.01 -0.02 0.01 -0.02 0.01 0.02 0.02 -0.01 0.01 -0.01 -0.01 -0.01 -0.02 -0.02 -0.02 0.07 0.01 0.01 -0.06 0.00 -0.00 0.00 -0.03 0.02 0.00 0.01 -0.06 -0.03 0.06 -0.02 0.03 0.01 0.00 0.02 -0.02 0.00 0.01 -0.11 -0.01 -0.01 0.01 0.02 -0.04 0.09 0.00 0.15 -0.04 0.02 -0.01 0.03 -0.00 -0.02 -0.05 0.01 0.04 -0.05 0.00 0.04 -0.00 0.00 -0.00 0.01 0.00 -0.00 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 0.24 -0.06 -0.12 0.08 0.11 0.07 0.01 0.01 0.03 0.01 0.00 0.02 0.01 0.00 0.03 0.04 0.02 -0.05 0.04 0.01 -0.03 -0.02 -0.08 0.06 0.45 0.31 -0.26 0.03 0.02 0.01 -0.14 0.02 -0.08 0.32 -0.03 -0.21 0.30 -0.06 -0.19 -0.03 0.03 0.03 -0.29 0.04 0.18 0.00 -0.01 -0.01 -0.00 -0.02 -0.01 -0.00 0.01 0.01 0.00 -0.00 -0.01 0.00 0.01 0.01 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.01 0.00 0.00 -0.00 -0.03 -0.01 0.01 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.01 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.01 0.00 -0.01 -0.01 0.01 0.00 0.00 -0.09 0.03 0.07 0.07 -0.02 -0.04 0.07 -0.00 -0.06 0.01 0.00 -0.00 -0.08 0.01 0.05 -0.01 -0.01 -0.01 0.01 0.03 0.01 0.00 0.02 0.02 0.01 -0.00 -0.00 -0.00 -0.01 0.01 -0.01 -0.02 -0.02 0.02 0.00 -0.00 0.00 0.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.05 0.04 -0.02 -0.00 0.00 0.01 -0.02 -0.04 -0.01 0.55 -0.04 -0.36 -0.37 0.06 0.25 -0.01 0.02 0.02 0.39 -0.05 -0.27 -0.01 -0.12 -0.10 -0.01 -0.14 -0.11 0.02 0.01 0.03 0.00 0.01 0.02 0.01 0.13 0.11 0.01 -0.00 0.00 -0.00 -0.00 0.01 0.00 0.01 -0.04 -0.00 -0.01 0.04 -0.00 -0.00 -0.00 0.04 0.01 -0.02 0.02 0.09 -0.02 -0.04 0.01 -0.04 0.01 -0.00 -0.02 -0.01 -0.03 0.03 -0.09 -0.11 0.07 -0.01 -0.00 0.03 -0.00 0.03 -0.09 0.03 -0.01 0.00 -0.01 0.00 0.01 0.01 -0.01 -0.01 0.01 -0.00 -0.01 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.01 0.00 0.01 0.00 0.02 0.01 -0.00 -0.02 -0.02 -0.00 -0.02 -0.01 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.01 0.01 -0.06 0.16 0.10 -0.09 -0.18 -0.09 -0.06 0.01 -0.04 -0.06 0.00 -0.03 0.04 0.01 0.08 -0.03 -0.02 0.00 -0.03 -0.06 0.05 -0.01 -0.02 0.01 0.69 0.51 -0.13 -0.02 0.02 0.02 0.07 -0.05 0.04 -0.08 0.00 0.05 -0.07 0.01 0.05 -0.00 -0.01 -0.01 0.07 -0.01 -0.04 0.02 0.09 0.07 0.01 0.10 0.08 -0.00 -0.02 -0.02 0.00 0.00 0.00 -0.01 -0.09 -0.07 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.01 0.01 0.00 0.00 -0.01 -0.03 -0.00 -0.02 -0.01 -0.00 0.00 -0.00 -0.01 0.00 0.01 -0.00 0.01 -0.00 0.00 0.00 0.00 0.00 -0.00 0.02 0.02 -0.01 0.00 -0.00 -0.00 0.00 -0.01 0.02 -0.00 0.02 0.00 0.01 -0.01 -0.01 -0.04 -0.01 0.03 0.01 0.00 -0.01 0.03 -0.02 -0.02 0.00 -0.00 0.00 -0.01 0.01 0.02 -0.00 0.07 0.06 0.00 -0.07 -0.07 -0.01 -0.08 -0.06 0.01 0.00 -0.00 0.00 0.00 0.02 0.00 0.07 0.05 0.01 -0.03 -0.02 0.02 0.04 0.02 0.01 -0.00 0.01 0.01 -0.00 0.00 -0.01 -0.00 -0.01 0.00 0.00 0.00 0.00 0.01 -0.01 0.00 0.00 -0.00 -0.12 -0.09 0.02 0.01 0.03 0.02 -0.01 0.00 0.00 0.22 -0.04 -0.14 -0.06 0.01 0.03 -0.01 -0.03 -0.00 0.09 0.00 -0.04 0.08 0.42 0.33 0.05 0.42 0.35 0.02 -0.01 0.01 0.01 -0.05 -0.02 -0.05 -0.39 -0.32 -0.01 0.00 -0.01 -0.01 -0.00 -0.02 -0.05 0.05 -0.10 0.01 -0.03 0.07 -0.00 -0.02 0.00 -0.13 -0.08 -0.03 0.17 -0.09 -0.06 -0.09 0.12 -0.06 0.03 -0.01 0.14 -0.00 0.03 -0.11 -0.08 0.02 -0.03 -0.09 0.02 0.06 0.07 0.00 0.15 0.17 -0.09 0.03 -0.03 0.03 0.05 0.03 0.02 -0.02 0.02 -0.00 -0.02 0.00 0.01 0.01 -0.02 0.00 -0.03 -0.02 -0.00 0.01 0.00 0.00 0.01 -0.00 -0.01 -0.01 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 0.00 -0.11 -0.17 -0.04 0.01 0.21 -0.02 0.34 -0.02 0.27 0.20 0.02 0.06 -0.06 0.03 -0.21 -0.02 -0.10 0.19 0.12 0.32 -0.20 0.06 0.10 0.04 0.03 0.11 -0.05 0.03 -0.00 0.10 0.19 -0.18 0.08 -0.16 0.03 0.11 -0.10 0.02 0.07 -0.04 0.01 -0.01 0.09 -0.05 -0.03 0.01 0.04 0.03 0.00 0.02 0.01 -0.01 -0.01 -0.01 0.00 0.01 -0.00 -0.01 -0.01 -0.01 0.00 -0.00 0.00 0.00 0.00 0.00 -0.01 0.00 -0.01 0.00 -0.01 0.01 -0.00 -0.00 -0.00 -0.01 0.04 -0.09 -0.05 0.01 0.01 -0.01 -0.04 -0.04 0.10 0.06 0.03 -0.08 -0.08 0.02 0.02 0.01 -0.00 -0.01 0.03 0.01 -0.01 -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 0.01 0.01 0.00 -0.01 -0.01 -0.00 -0.01 -0.01 0.00 0.01 0.01 -0.00 0.00 0.00 0.27 0.08 -0.02 0.13 0.23 0.06 -0.27 -0.06 -0.25 0.08 -0.09 0.34 0.14 -0.14 0.34 0.04 -0.21 0.31 0.16 0.23 -0.16 0.01 -0.13 0.31 -0.05 -0.04 0.02 0.01 0.00 0.01 0.02 -0.02 0.01 -0.02 0.00 0.01 -0.01 0.00 0.00 -0.01 0.00 0.00 0.01 -0.01 -0.00 -0.01 -0.04 -0.03 0.01 0.04 0.03 0.01 0.05 0.04 -0.01 -0.04 -0.04 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.02 0.01 0.04 0.00 0.01 -0.02 -0.01 -0.15 0.02 0.02 0.01 0.01 -0.02 -0.00 0.01 0.01 -0.02 0.01 -0.01 0.00 -0.02 0.01 0.01 0.02 -0.00 0.00 -0.01 0.02 -0.00 -0.02 -0.00 -0.00 -0.00 -0.02 -0.13 -0.08 -0.02 0.09 0.05 0.09 0.19 0.04 0.05 -0.08 0.05 0.02 0.06 0.01 -0.01 0.04 -0.01 -0.08 -0.05 -0.11 0.04 -0.00 0.05 -0.01 0.00 0.03 0.04 -0.03 -0.06 -0.04 -0.05 -0.02 0.00 0.07 -0.02 -0.02 0.02 0.00 0.04 0.00 -0.01 -0.00 0.05 0.02 -0.01 0.00 -0.02 -0.01 0.00 -0.02 -0.01 0.00 -0.02 -0.00 0.04 -0.07 -0.04 -0.08 0.05 -0.01 0.00 -0.05 0.01 -0.01 -0.02 -0.07 -0.10 -0.04 -0.12 -0.18 -0.14 0.01 0.44 0.18 -0.07 -0.07 0.12 0.15 0.40 0.02 -0.08 -0.06 -0.10 -0.06 -0.10 -0.06 0.06 0.25 0.13 -0.01 0.23 0.18 -0.06 -0.15 -0.21 -0.05 -0.05 -0.02 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.01 0.00 0.00 -0.01 0.00 -0.04 0.01 0.00 0.00 -0.01 -0.00 0.00 0.00 0.00 -0.00 0.01 0.01 0.01 -0.00 -0.01 -0.01 0.00 0.00 0.00 -0.00 0.01 -0.00 -0.01 -0.00 -0.00 -0.00 -0.01 -0.03 -0.02 -0.01 0.02 0.01 0.02 0.04 0.01 0.00 -0.01 0.02 0.01 0.01 0.00 0.02 0.01 -0.01 -0.03 -0.01 -0.02 0.01 -0.00 0.01 -0.01 -0.06 -0.04 0.02 0.06 0.04 -0.00 0.05 0.04 -0.01 -0.08 -0.08 -0.00 0.03 0.02 -0.02 -0.01 0.00 -0.00 -0.01 0.00 -0.05 -0.01 -0.05 0.00 -0.01 0.04 0.02 -0.02 0.04 0.01 -0.02 0.03 0.02 0.03 -0.02 -0.00 -0.03 0.04 -0.02 -0.02 0.00 -0.02 -0.02 -0.01 -0.04 -0.05 -0.04 0.00 0.10 0.05 0.04 -0.02 -0.01 -0.08 0.11 0.08 0.04 -0.02 -0.07 0.04 0.29 0.24 -0.03 -0.33 -0.27 -0.05 -0.29 -0.23 0.04 0.50 0.37 -0.02 -0.14 -0.11 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.02 0.01 0.00 0.06 -0.02 -0.04 -0.00 -0.00 0.00 -0.10 0.02 0.07 0.07 -0.00 -0.04 0.00 -0.00 -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 0.00 0.00 -0.02 -0.00 0.00 -0.01 -0.02 -0.01 -0.01 -0.00 -0.01 0.00 -0.00 0.01 0.00 -0.00 0.01 0.00 -0.01 0.02 0.01 0.02 -0.02 0.00 -0.01 0.02 -0.00 -0.00 0.00 0.00 -0.01 -0.01 0.00 0.01 0.00 0.06 -0.00 -0.05 -0.33 0.05 0.22 0.62 -0.09 -0.42 -0.37 0.05 0.26 0.01 0.05 0.04 -0.01 -0.06 -0.04 -0.01 -0.05 -0.04 0.01 0.08 0.06 -0.00 -0.02 -0.02 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.05 0.02 -0.04 0.01 -0.01 0.01 -0.00 0.01 -0.00 0.05 0.04 -0.00 -0.05 -0.00 0.04 -0.04 -0.09 -0.04 -0.04 0.01 -0.01 0.06 -0.03 0.07 -0.01 0.01 -0.04 -0.03 0.07 0.02 0.01 -0.01 -0.00 0.07 -0.04 0.04 0.00 0.00 0.01 -0.01 -0.01 -0.01 0.00 0.01 -0.01 0.00 -0.00 0.00 -0.01 -0.00 -0.01 0.01 -0.00 0.01 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.01 0.01 0.00 0.00 0.00 -0.00 -0.01 -0.01 0.00 0.01 0.00 0.40 0.04 -0.08 0.21 0.52 0.15 0.07 -0.03 -0.01 0.09 0.00 0.01 -0.08 0.00 -0.16 -0.13 0.06 -0.12 -0.22 -0.28 0.28 -0.01 0.16 -0.28 0.04 -0.01 -0.09 0.06 -0.05 0.03 0.07 -0.00 0.03 -0.02 -0.03 -0.01 -0.02 0.02 0.01 0.00 -0.04 -0.04 0.01 -0.03 0.04 0.00 0.00 0.01 -0.00 -0.04 -0.03 0.00 -0.01 -0.00 0.01 0.07 0.06 -0.00 -0.04 -0.04 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.02 -0.01 0.00 0.00 -0.00 0.01 -0.00 0.01 0.00 -0.01 -0.01 -0.00 -0.01 0.01 -0.01 -0.00 0.01 -0.01 0.00 -0.02 0.01 -0.00 0.01 -0.01 0.00 -0.00 0.01 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.01 0.02 -0.01 -0.00 -0.01 -0.00 -0.00 -0.01 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.01 -0.00 0.00 -0.00 0.01 0.04 0.03 -0.00 0.01 0.01 -0.01 -0.08 -0.06 -0.01 -0.05 -0.03 0.01 0.07 0.06 0.06 0.03 0.00 -0.01 -0.00 -0.02 0.06 0.02 0.08 -0.03 0.02 -0.06 0.01 0.03 -0.00 0.01 0.00 -0.00 0.02 0.02 -0.02 -0.00 -0.01 0.01 0.01 0.01 0.02 -0.01 0.03 0.00 0.00 -0.00 0.01 -0.01 -0.02 -0.00 0.00 -0.00 -0.00 -0.00 -0.02 0.00 0.00 0.01 -0.00 -0.04 -0.25 -0.21 -0.02 -0.11 -0.09 0.06 0.48 0.38 0.03 0.29 0.24 -0.04 -0.42 -0.34 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.10 0.07 -0.06 -0.00 0.01 -0.02 -0.00 -0.01 -0.00 0.05 0.03 0.05 0.03 -0.07 0.01 0.06 0.00 0.07 -0.01 0.06 -0.09 0.00 0.01 0.02 -0.02 0.01 -0.02 -0.04 0.00 -0.02 0.01 -0.01 0.03 0.08 -0.09 0.13 0.06 0.01 0.01 -0.05 0.04 -0.06 -0.01 -0.04 0.02 0.00 0.01 0.00 -0.02 0.00 -0.04 0.04 0.03 0.05 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 -0.00 -0.02 -0.01 -0.00 -0.01 -0.01 0.00 0.01 0.01 -0.38 -0.19 0.02 -0.06 -0.41 -0.05 -0.32 -0.06 -0.35 0.00 -0.08 0.19 0.00 -0.13 0.11 0.03 0.04 -0.05 -0.01 -0.06 0.03 -0.01 -0.05 0.02 -0.03 -0.00 -0.02 0.13 -0.25 -0.09 0.06 0.21 0.01 0.01 0.02 -0.11 0.06 -0.04 -0.01 -0.05 -0.03 -0.04 0.07 -0.05 0.12 -0.01 -0.04 -0.04 -0.00 -0.01 -0.01 0.02 0.12 0.09 0.00 0.05 0.04 -0.01 -0.09 -0.06 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.02 0.01 -0.01 -0.00 0.00 -0.01 0.00 0.01 0.00 0.03 0.01 0.02 0.04 -0.01 0.02 -0.00 -0.01 0.05 -0.02 0.05 -0.03 0.02 -0.01 -0.00 -0.02 0.00 -0.03 -0.01 0.00 -0.01 0.01 -0.01 0.01 0.02 -0.02 0.02 -0.00 -0.02 -0.01 0.15 -0.09 0.24 -0.01 0.28 -0.09 0.00 0.00 -0.01 0.00 -0.01 0.03 -0.13 -0.19 -0.16 -0.01 0.01 0.00 0.04 0.10 -0.12 -0.15 -0.02 0.05 -0.01 -0.01 -0.01 0.00 0.00 -0.01 0.11 -0.07 0.08 -0.26 -0.10 0.02 -0.04 -0.12 0.02 -0.14 -0.08 -0.22 0.10 -0.06 0.18 -0.06 -0.11 -0.04 -0.05 -0.04 0.06 -0.04 0.01 0.04 0.02 0.09 -0.06 -0.00 0.01 -0.05 0.06 -0.03 0.02 0.01 0.04 -0.00 0.18 -0.08 0.24 -0.06 0.30 -0.08 0.05 -0.05 -0.03 -0.18 -0.17 -0.17 0.07 0.05 -0.15 -0.15 -0.04 0.07 0.00 0.07 0.05 0.01 0.02 0.01 0.12 -0.11 0.05 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.04 0.03 -0.04 0.01 -0.00 0.01 -0.01 0.02 -0.01 -0.01 0.01 0.00 -0.03 -0.04 -0.02 0.05 0.02 -0.02 0.03 -0.04 -0.02 -0.03 0.04 0.03 0.02 0.01 0.03 -0.04 0.00 0.00 -0.01 0.01 0.01 0.05 -0.03 0.05 0.01 -0.02 -0.01 0.06 -0.07 0.12 -0.01 0.18 -0.06 -0.00 0.01 -0.01 -0.01 -0.01 0.01 -0.06 -0.10 -0.07 -0.02 0.01 -0.02 -0.06 -0.16 0.21 0.26 0.04 -0.08 0.05 0.00 -0.02 -0.01 -0.03 0.04 -0.20 0.13 -0.13 0.13 0.01 -0.03 0.02 -0.15 -0.06 -0.04 0.08 0.08 -0.19 0.03 -0.16 0.11 0.08 0.18 0.11 0.11 -0.17 0.05 -0.09 -0.03 -0.05 -0.18 0.09 -0.02 0.00 0.07 0.08 -0.07 0.00 0.06 0.08 0.03 0.09 -0.14 0.09 -0.03 0.19 -0.06 0.01 -0.11 -0.04 -0.08 -0.12 -0.04 -0.11 -0.16 0.21 0.26 0.06 -0.11 0.05 0.01 0.00 -0.01 -0.02 0.04 -0.21 0.12 -0.14 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.04 0.03 -0.03 0.01 -0.00 0.01 0.00 -0.01 0.00 -0.03 0.01 -0.01 -0.07 -0.04 -0.04 0.06 0.03 -0.05 0.05 -0.09 -0.01 -0.05 0.06 0.04 0.04 0.01 0.06 -0.05 0.00 0.00 -0.02 0.02 0.00 0.05 -0.04 0.03 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 -0.01 -0.00 -0.01 -0.00 0.01 -0.00 0.01 0.02 0.04 -0.07 -0.08 -0.01 0.02 -0.01 0.01 0.01 0.00 0.01 -0.01 0.06 -0.04 0.04 0.35 0.07 -0.05 0.05 -0.08 -0.08 0.02 0.16 0.23 -0.31 0.08 -0.32 0.18 0.16 0.27 0.18 0.18 -0.28 0.08 -0.14 -0.06 -0.09 -0.30 0.15 -0.05 -0.02 0.13 0.04 -0.05 0.01 0.04 -0.00 0.01 0.00 0.01 -0.00 -0.00 0.01 0.01 -0.01 0.00 -0.02 0.01 -0.03 0.02 0.04 0.09 -0.04 -0.08 -0.01 0.04 -0.02 -0.05 -0.05 -0.00 -0.01 -0.02 0.07 -0.01 0.07 0.00 -0.00 0.00 0.00 -0.00 0.00 0.06 0.00 -0.08 -0.02 -0.00 0.05 -0.00 -0.02 -0.00 -0.03 -0.01 -0.03 -0.02 0.05 -0.02 0.01 -0.01 -0.03 -0.02 -0.02 0.06 -0.00 -0.03 -0.03 0.02 -0.01 0.03 0.03 -0.02 0.02 -0.01 0.01 -0.02 -0.14 -0.04 0.12 0.11 -0.01 -0.04 -0.02 0.06 0.02 -0.02 0.03 0.02 0.01 0.02 0.00 -0.01 0.01 -0.02 -0.01 -0.03 -0.02 0.01 -0.00 0.01 0.00 0.00 -0.01 -0.00 -0.00 0.00 -0.01 -0.00 0.01 0.00 0.01 -0.01 -0.00 -0.00 -0.00 0.08 0.10 -0.00 0.09 0.04 0.00 0.19 0.00 0.16 0.08 0.03 -0.04 -0.06 0.04 -0.15 -0.05 -0.10 0.15 0.01 0.12 -0.04 0.04 0.09 0.00 0.02 0.00 0.04 0.04 -0.44 -0.38 0.09 0.54 0.06 0.14 0.12 -0.07 0.11 0.00 -0.07 0.00 0.05 -0.02 -0.01 -0.09 0.06 0.02 0.02 0.01 0.01 -0.01 0.03 -0.01 -0.04 0.01 0.01 0.01 -0.02 -0.01 0.00 0.01 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.01 0.01 -0.01 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.01 0.01 -0.00 -0.01 -0.00 0.00 -0.00 -0.01 0.00 -0.00 0.00 -0.00 -0.00 0.01 -0.00 0.00 -0.01 0.01 0.00 0.00 0.00 0.00 -0.00 0.00 0.09 0.01 -0.02 -0.01 -0.05 0.07 -0.13 -0.06 0.09 0.09 0.08 -0.12 -0.11 0.06 -0.06 -0.01 -0.01 0.00 -0.01 -0.01 -0.00 -0.02 0.00 -0.01 -0.01 -0.00 0.00 0.01 -0.00 0.02 0.01 0.01 -0.01 -0.00 -0.01 0.00 -0.00 -0.01 0.00 -0.01 -0.00 0.01 0.00 0.02 0.02 0.00 -0.02 0.00 -0.01 -0.04 -0.00 -0.01 0.00 -0.01 -0.00 -0.03 0.00 0.00 0.00 0.00 0.46 -0.09 -0.01 0.12 -0.32 0.37 -0.02 -0.27 0.36 0.44 0.03 -0.08 -0.12 0.06 -0.06 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.04 -0.02 -0.02 -0.00 -0.01 0.04 0.00 -0.00 -0.00 0.02 -0.01 0.00 0.09 0.00 0.05 -0.10 -0.03 -0.04 0.04 -0.02 -0.04 -0.03 0.06 0.04 -0.03 0.01 -0.06 0.03 -0.00 0.02 0.02 -0.02 0.01 -0.05 0.01 0.01 0.02 -0.01 -0.01 -0.00 0.01 0.00 -0.01 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.47 -0.10 0.13 -0.00 0.55 0.11 -0.13 0.04 -0.05 -0.16 -0.00 -0.08 0.12 0.02 0.22 0.16 0.18 -0.26 0.06 -0.15 -0.03 -0.08 -0.26 0.12 -0.02 0.02 -0.06 -0.03 -0.06 -0.09 0.04 0.10 0.04 0.02 0.04 -0.00 0.01 -0.01 -0.02 0.01 0.01 0.01 -0.01 0.01 -0.01 -0.02 -0.00 -0.01 0.00 -0.00 0.00 0.01 0.01 0.01 -0.01 0.00 -0.00 -0.01 -0.01 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.01 -0.00 -0.00 0.00 -0.00 0.01 -0.01 -0.01 0.00 -0.00 0.00 0.00 0.00 -0.01 0.00 -0.01 0.01 -0.00 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 0.00 -0.01 -0.00 0.00 0.00 0.00 -0.00 0.00 0.01 0.01 -0.00 -0.01 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.01 -0.00 0.01 -0.00 0.03 0.02 -0.02 0.05 -0.06 0.07 -0.10 0.03 -0.02 -0.08 -0.00 0.01 0.01 -0.05 0.06 0.05 0.04 -0.06 0.04 -0.01 -0.00 -0.04 -0.02 -0.02 -0.03 0.00 -0.02 -0.02 -0.00 0.01 0.02 -0.00 0.03 -0.01 0.00 -0.00 -0.02 -0.01 0.02 0.00 0.02 -0.02 -0.01 0.00 0.00 0.01 -0.02 -0.01 0.02 0.02 0.01 0.02 0.04 0.01 -0.02 -0.02 -0.03 0.01 0.02 0.01 -0.02 0.04 -0.03 0.45 -0.16 0.11 -0.24 0.32 -0.36 -0.15 0.12 -0.14 0.26 -0.10 0.09 0.34 0.23 -0.32 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.08 -0.02 -0.02 0.01 -0.01 0.04 0.00 0.00 0.00 -0.03 0.01 0.02 0.00 -0.09 0.00 -0.06 0.09 -0.01 0.05 0.02 -0.04 0.06 -0.01 0.01 -0.01 0.02 -0.03 -0.08 0.02 0.03 0.01 -0.01 0.03 -0.04 0.00 0.01 0.00 -0.01 -0.04 0.02 0.01 0.04 -0.04 -0.06 -0.03 -0.01 -0.01 -0.00 0.04 -0.02 0.06 -0.01 0.06 -0.02 0.01 -0.01 0.01 -0.01 0.01 -0.01 0.02 -0.00 0.00 0.01 0.00 -0.00 -0.00 0.01 -0.01 -0.01 -0.01 0.01 0.35 -0.02 -0.04 -0.31 -0.19 -0.13 -0.20 0.02 -0.14 -0.08 -0.04 0.08 0.10 -0.03 0.20 -0.12 0.01 -0.03 -0.13 -0.09 0.16 0.02 0.16 -0.19 -0.04 0.04 0.02 0.03 -0.07 -0.06 0.13 0.09 0.10 0.06 0.09 0.05 -0.16 -0.13 -0.24 0.05 0.02 0.07 -0.14 0.34 -0.26 -0.09 0.03 -0.01 0.04 -0.04 0.05 0.01 -0.02 0.00 -0.06 0.02 -0.02 -0.06 -0.04 0.06 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.06 0.03 -0.01 -0.01 0.01 -0.02 0.01 0.00 0.01 0.02 -0.01 -0.01 -0.01 0.06 -0.01 0.05 -0.06 0.01 -0.03 -0.01 0.03 -0.04 0.01 -0.01 0.01 -0.01 0.03 0.03 -0.01 -0.02 -0.01 0.01 -0.02 0.05 -0.03 0.05 -0.01 0.00 -0.03 0.04 -0.01 0.06 -0.05 -0.07 -0.06 -0.01 -0.01 -0.01 0.05 -0.03 0.08 -0.00 0.09 -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 -0.22 0.01 0.00 0.25 0.08 0.09 0.13 -0.02 0.09 0.07 0.02 -0.04 -0.07 0.02 -0.14 0.08 -0.01 0.01 0.08 0.05 -0.10 -0.02 -0.10 0.12 0.03 -0.02 -0.00 0.07 -0.04 0.04 -0.01 0.05 -0.01 0.06 0.05 0.07 -0.26 -0.17 -0.35 0.04 -0.07 0.08 -0.20 0.51 -0.38 -0.02 -0.00 -0.00 -0.00 0.00 -0.01 -0.00 0.00 0.01 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.02 -0.00 0.00 -0.00 -0.10 0.13 0.09 0.03 0.02 -0.01 0.04 -0.06 0.01 0.05 -0.08 -0.05 0.05 -0.07 -0.05 -0.00 -0.00 0.01 -0.04 0.02 -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 -0.00 0.00 -0.31 -0.06 0.01 0.28 0.11 0.11 -0.11 0.16 0.13 -0.34 0.03 -0.26 0.19 0.14 0.29 -0.21 -0.19 0.28 -0.11 0.20 0.08 0.11 0.33 -0.12 0.01 -0.04 -0.03 0.03 0.00 0.02 0.00 -0.02 -0.00 -0.00 -0.01 -0.00 -0.01 -0.00 -0.00 0.00 0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -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 -0.10 0.03 0.00 -0.02 -0.01 0.05 0.00 -0.01 0.01 0.02 0.03 0.06 -0.01 0.01 0.13 0.03 0.02 -0.08 -0.01 -0.04 -0.03 -0.01 -0.02 -0.05 -0.05 0.03 -0.11 0.19 -0.06 -0.03 0.02 -0.03 -0.00 0.02 -0.01 0.03 0.01 0.02 0.02 0.00 -0.01 0.01 -0.00 0.01 -0.01 -0.01 0.02 -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 -0.00 0.31 0.18 0.23 -0.62 0.08 -0.23 -0.01 0.06 0.08 -0.13 0.02 -0.15 0.03 0.09 0.00 -0.01 -0.11 0.17 0.04 0.17 -0.08 0.05 0.08 0.06 -0.02 -0.03 -0.21 -0.07 -0.01 -0.01 -0.14 0.02 -0.09 -0.02 -0.11 -0.01 -0.04 -0.01 -0.06 -0.03 -0.12 -0.02 -0.01 0.05 -0.02 -0.00 0.00 0.00 -0.01 0.01 -0.01 -0.00 -0.01 -0.00 0.01 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.02 0.01 -0.01 -0.00 -0.00 0.01 0.02 0.06 -0.01 0.01 0.01 0.01 -0.00 0.00 0.02 0.01 -0.00 -0.01 -0.00 -0.01 -0.00 -0.01 -0.00 -0.01 -0.01 0.00 -0.02 0.01 -0.00 -0.00 0.00 -0.00 -0.00 0.04 0.04 0.04 -0.07 -0.08 -0.09 -0.00 0.02 -0.01 0.01 -0.04 0.03 0.02 -0.13 0.05 -0.00 0.03 -0.01 -0.02 -0.05 -0.02 -0.07 0.04 -0.05 0.00 0.00 0.00 -0.00 0.00 0.00 0.03 0.01 -0.01 -0.01 -0.02 0.03 -0.01 0.01 -0.01 0.03 0.02 0.03 -0.05 -0.00 -0.02 0.01 0.01 0.02 -0.01 0.00 -0.03 -0.00 0.01 -0.01 0.01 -0.02 0.03 0.01 0.03 -0.02 0.01 0.00 0.02 -0.00 -0.01 -0.03 0.12 0.06 0.10 0.06 0.05 0.06 0.16 0.69 0.12 0.24 0.05 0.32 0.06 0.25 0.03 -0.08 0.08 -0.14 0.19 -0.05 0.01 0.06 -0.15 0.17 0.03 0.01 -0.02 -0.05 -0.02 0.03 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 -0.01 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 -0.00 -0.00 -0.00 -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 0.01 -0.00 0.01 0.00 -0.01 0.01 -0.00 -0.01 -0.00 -0.00 -0.00 -0.00 0.01 -0.01 0.01 -0.01 0.01 -0.01 0.00 0.01 -0.02 -0.01 0.01 -0.01 0.07 -0.00 -0.01 -0.04 -0.03 0.04 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 -0.01 0.00 -0.00 0.00 0.00 0.01 -0.01 0.00 -0.00 0.01 -0.00 0.00 -0.01 0.02 0.01 0.01 0.01 0.01 0.01 0.02 0.08 0.01 0.05 0.02 0.08 -0.01 -0.03 -0.01 -0.02 0.03 -0.03 -0.06 0.02 -0.01 -0.11 0.23 -0.28 -0.07 0.13 -0.16 0.60 -0.10 0.05 -0.42 -0.27 0.39 -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 0.02 0.01 -0.00 0.00 0.00 0.00 0.02 0.00 -0.00 -0.00 -0.01 -0.00 0.00 -0.01 0.00 -0.00 -0.01 0.00 -0.01 -0.02 0.01 0.00 0.00 -0.01 -0.00 -0.00 -0.01 -0.01 0.01 0.01 0.01 0.00 -0.01 0.00 -0.01 -0.00 -0.02 -0.01 0.01 -0.00 0.01 0.02 0.01 0.01 -0.00 0.01 -0.04 0.02 -0.02 0.04 -0.01 0.01 0.01 -0.01 0.02 0.00 0.04 -0.06 -0.02 -0.01 0.02 -0.02 -0.01 0.02 0.01 0.01 0.02 0.04 -0.03 0.00 0.01 -0.00 0.01 0.00 0.00 -0.01 -0.01 0.01 -0.02 0.02 -0.00 0.01 0.01 0.01 -0.02 -0.00 -0.01 0.02 -0.01 0.00 -0.01 -0.02 -0.01 -0.02 0.01 -0.01 0.00 -0.03 -0.14 -0.02 -0.14 -0.05 -0.19 0.05 0.20 0.04 0.05 -0.09 0.09 0.51 -0.11 0.04 0.10 -0.20 0.24 -0.17 0.36 -0.43 -0.15 0.01 0.00 -0.19 -0.13 0.18 -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 0.02 0.00 0.01 0.00 0.01 0.05 0.01 -0.01 -0.01 -0.01 -0.01 -0.00 -0.02 0.00 -0.01 -0.01 0.00 -0.03 -0.04 0.01 0.01 0.01 -0.01 -0.00 0.01 0.02 0.01 -0.02 -0.03 -0.03 -0.00 -0.03 0.00 -0.03 -0.02 -0.04 -0.01 -0.01 -0.01 0.03 0.06 0.03 0.01 -0.02 0.02 0.01 -0.00 0.00 -0.02 0.00 -0.00 -0.00 0.01 -0.01 0.00 -0.02 0.02 0.01 0.00 -0.00 0.00 0.00 -0.00 0.04 0.03 0.06 0.04 -0.07 -0.01 0.03 0.00 0.03 -0.01 0.01 -0.04 -0.02 0.02 -0.03 0.03 -0.02 0.03 0.03 0.04 -0.04 0.00 -0.02 0.06 -0.00 -0.01 -0.06 0.03 0.03 0.03 0.06 0.01 0.05 0.00 -0.02 0.00 -0.23 -0.11 -0.32 0.19 0.64 0.14 0.14 -0.31 0.27 -0.20 0.05 -0.02 -0.04 0.09 -0.11 0.06 -0.14 0.16 0.11 -0.02 0.01 0.04 0.03 -0.04 0.00 -0.00 0.00 0.00 -0.00 -0.01 -0.08 0.02 0.01 -0.03 0.00 0.03 0.02 -0.00 0.01 -0.10 -0.00 -0.03 -0.01 -0.04 -0.19 -0.05 0.02 0.02 0.06 0.04 0.01 0.06 -0.01 0.03 0.06 -0.02 0.13 0.21 -0.08 -0.04 -0.03 0.04 0.01 0.02 0.01 0.04 -0.01 -0.01 -0.00 -0.00 -0.02 0.00 -0.02 -0.01 -0.03 -0.01 -0.01 -0.00 0.02 0.04 0.01 0.01 -0.01 0.01 -0.04 0.02 -0.02 -0.00 0.00 -0.00 -0.01 0.00 -0.01 0.01 0.00 -0.01 0.01 -0.01 0.01 -0.01 -0.00 0.00 -0.13 -0.10 -0.24 -0.31 0.34 0.02 -0.12 -0.00 -0.10 0.01 -0.03 0.14 0.07 -0.06 0.13 -0.14 0.04 -0.08 -0.13 -0.12 0.17 -0.00 0.10 -0.23 0.02 0.03 0.23 -0.05 0.02 0.01 -0.16 0.04 -0.10 0.00 -0.01 0.01 -0.14 -0.06 -0.20 0.09 0.31 0.06 0.06 -0.14 0.12 0.04 -0.00 0.00 -0.01 -0.00 0.00 0.02 0.01 0.01 0.11 -0.03 0.03 -0.05 -0.03 0.04 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.02 0.01 -0.01 -0.01 -0.00 0.01 -0.12 0.06 -0.07 0.00 -0.01 0.02 -0.00 0.00 -0.02 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.01 0.01 -0.00 0.02 0.04 -0.01 -0.01 -0.00 0.00 -0.00 0.03 0.04 0.04 -0.08 -0.09 -0.10 -0.01 -0.02 -0.00 0.00 -0.01 0.00 -0.00 0.08 -0.02 0.04 -0.03 0.06 -0.01 0.01 -0.02 0.24 -0.14 0.15 0.07 -0.03 0.02 0.04 -0.04 0.05 -0.10 0.02 -0.01 -0.03 0.06 -0.08 0.01 -0.00 0.00 -0.01 -0.03 -0.07 -0.10 0.09 -0.01 -0.02 -0.00 -0.02 -0.00 -0.00 0.01 -0.00 -0.01 -0.01 0.00 -0.00 0.00 0.00 0.01 -0.01 0.00 0.01 0.00 0.01 -0.00 0.02 0.19 0.06 0.14 0.03 0.07 0.03 0.06 0.17 0.02 0.15 0.04 0.20 0.06 0.04 0.07 0.08 -0.16 0.13 -0.06 -0.01 0.02 0.01 0.04 -0.07 -0.26 0.30 -0.35 -0.46 0.15 -0.13 -0.02 -0.01 0.02 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.02 -0.01 -0.00 0.01 -0.01 0.02 0.00 0.00 0.00 0.10 -0.06 0.21 -0.02 0.03 -0.05 0.00 0.00 -0.03 -0.03 0.02 -0.06 -0.04 0.02 -0.08 0.02 -0.03 0.08 -0.06 0.01 0.00 -0.02 0.03 -0.02 -0.01 -0.00 -0.01 0.01 0.01 0.01 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.01 0.00 -0.00 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 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.17 -0.32 -0.56 -0.21 0.37 -0.00 -0.13 -0.03 -0.16 -0.07 0.01 -0.06 -0.06 -0.04 -0.09 0.15 -0.04 0.08 0.12 0.21 -0.20 0.05 0.06 0.15 0.10 -0.15 -0.12 -0.04 -0.01 -0.03 0.09 -0.01 0.06 -0.00 -0.01 -0.00 -0.01 -0.00 -0.02 -0.01 -0.00 -0.01 -0.01 0.02 -0.02 0.01 -0.00 -0.00 0.00 -0.00 0.01 0.01 -0.01 0.01 0.02 -0.01 0.01 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.03 0.02 -0.03 -0.00 -0.00 0.01 0.07 -0.16 0.07 0.01 -0.00 0.01 -0.00 0.00 0.00 -0.00 0.00 -0.01 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.01 0.00 0.01 -0.00 0.00 -0.00 -0.01 0.03 0.05 -0.12 -0.08 -0.16 0.01 0.00 0.01 -0.01 -0.04 -0.01 -0.00 0.25 -0.05 0.06 -0.04 0.10 -0.01 0.04 -0.02 -0.09 0.06 -0.05 -0.03 0.01 -0.01 -0.01 0.00 -0.01 0.03 -0.00 -0.00 -0.01 -0.01 0.02 0.01 0.00 -0.00 0.03 -0.03 -0.04 -0.00 0.01 -0.00 -0.01 -0.00 -0.01 -0.01 0.00 -0.01 -0.00 0.00 -0.00 0.01 -0.00 0.01 0.01 0.01 -0.01 0.00 0.01 0.01 0.01 -0.02 -0.02 0.51 0.04 0.29 -0.11 0.10 -0.05 -0.08 -0.28 -0.05 0.29 0.07 0.39 0.06 -0.07 0.10 0.06 -0.10 0.12 0.10 0.00 0.01 -0.01 0.01 0.01 0.08 -0.09 0.10 0.12 -0.04 0.04 0.00 -0.01 0.01 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.04 0.02 -0.05 -0.00 -0.00 0.02 -0.02 0.04 -0.02 0.00 -0.01 0.01 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.01 -0.00 0.01 0.00 -0.01 0.00 -0.04 -0.03 0.02 -0.02 0.12 -0.02 -0.01 -0.05 -0.01 0.03 -0.00 0.03 0.06 -0.07 0.10 -0.03 -0.04 -0.04 -0.01 -0.00 -0.01 -0.02 -0.02 0.04 0.02 0.00 -0.00 0.00 0.01 -0.02 -0.01 0.01 -0.02 0.03 -0.00 -0.00 -0.01 -0.01 0.01 0.00 0.01 0.01 -0.02 0.03 -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 0.01 0.01 -0.01 0.00 0.00 0.01 -0.01 0.04 0.05 0.52 -0.06 0.24 -0.47 0.01 -0.31 -0.09 -0.36 -0.06 0.02 0.00 0.04 0.06 0.31 0.02 -0.06 0.12 -0.13 0.03 -0.01 -0.01 -0.00 0.03 -0.04 0.02 -0.03 0.04 -0.08 0.02 -0.01 0.02 0.01 -0.02 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.01 0.00 -0.00 0.00 0.04 -0.00 0.06 -0.03 0.00 -0.06 0.01 -0.02 0.01 -0.01 0.00 -0.01 -0.01 -0.01 -0.02 -0.01 0.00 -0.04 -0.01 -0.01 0.01 0.06 -0.07 0.01 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.02 0.19 0.16 -0.03 0.14 0.04 -0.02 -0.01 -0.03 -0.01 0.01 -0.02 -0.02 -0.00 -0.04 0.04 -0.02 0.00 0.04 0.09 -0.06 0.02 0.06 0.02 -0.20 0.56 0.71 -0.01 0.00 -0.00 0.05 -0.00 0.03 0.00 0.01 0.00 0.00 0.00 0.00 -0.00 -0.01 -0.00 0.00 -0.00 0.00 -0.01 0.00 0.00 0.00 -0.00 0.00 0.00 -0.01 -0.00 0.01 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.04 0.01 0.05 0.00 0.00 -0.02 0.00 -0.01 -0.00 0.00 0.01 -0.02 -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 0.02 -0.00 -0.01 -0.00 0.00 0.00 0.01 -0.02 -0.03 -0.02 0.04 -0.08 -0.02 -0.03 -0.01 0.01 0.00 0.02 0.06 0.03 0.08 -0.01 -0.05 -0.01 -0.02 0.01 -0.02 -0.08 -0.05 0.07 0.04 0.00 -0.01 0.00 0.02 -0.03 -0.01 0.04 -0.05 0.06 -0.00 -0.00 -0.03 -0.02 0.02 -0.03 0.00 0.01 -0.06 0.01 -0.00 0.01 0.00 0.02 0.01 0.00 -0.01 0.00 0.01 -0.00 -0.01 -0.01 0.01 -0.01 -0.01 0.01 -0.00 -0.01 0.00 -0.00 -0.01 -0.00 -0.32 0.01 -0.15 0.58 0.09 0.36 -0.06 -0.28 -0.08 0.08 0.03 0.10 0.07 0.24 0.04 -0.06 0.10 -0.11 0.16 -0.02 0.00 -0.03 0.11 -0.13 0.08 -0.12 0.15 -0.19 0.05 -0.03 0.01 0.01 -0.01 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.02 0.01 0.02 0.00 0.00 -0.01 -0.02 -0.00 -0.01 0.01 0.03 -0.02 0.00 -0.01 -0.00 0.00 -0.00 0.01 -0.00 -0.01 0.01 -0.00 -0.01 0.00 0.00 0.00 0.01 0.01 -0.00 -0.00 -0.00 0.00 0.00 -0.01 -0.03 -0.02 -0.01 0.07 -0.06 -0.00 -0.02 0.00 0.01 -0.00 0.01 0.05 -0.01 0.06 -0.02 -0.04 -0.01 -0.00 -0.01 -0.00 0.13 0.09 -0.11 -0.06 -0.00 0.01 -0.01 -0.04 0.04 0.02 -0.07 0.09 -0.12 0.01 0.00 0.05 0.03 -0.04 -0.04 -0.04 -0.03 -0.10 0.02 -0.01 0.02 0.00 0.03 0.02 0.01 -0.02 0.00 0.03 -0.01 -0.01 -0.02 0.02 -0.01 -0.02 0.01 0.00 -0.02 0.02 0.00 -0.01 -0.01 -0.06 -0.01 -0.02 0.31 0.07 0.18 -0.07 -0.32 -0.06 0.11 0.04 0.14 0.07 0.26 0.04 -0.06 0.12 -0.12 -0.30 0.05 -0.01 0.07 -0.20 0.25 -0.14 0.23 -0.27 0.38 -0.09 0.06 0.02 0.01 -0.01 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.02 -0.01 -0.01 0.00 -0.00 0.00 0.00 0.00 0.00 0.14 0.21 -0.13 0.00 -0.07 -0.02 -0.04 -0.00 0.05 -0.05 -0.06 0.04 -0.04 -0.05 0.02 0.01 -0.00 0.02 -0.03 0.02 0.01 0.01 -0.01 0.00 -0.01 0.00 -0.00 0.01 -0.01 0.02 0.00 0.01 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 -0.01 -0.01 0.01 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.01 -0.01 0.01 -0.00 -0.00 -0.00 -0.00 0.00 -0.18 -0.38 -0.33 -0.49 0.04 -0.04 0.15 0.01 0.17 0.15 0.07 -0.20 -0.00 0.24 -0.09 0.02 -0.13 0.20 -0.07 -0.08 0.06 0.02 -0.10 0.22 -0.03 0.06 0.12 0.07 -0.00 0.03 -0.05 -0.03 -0.02 0.01 0.06 0.01 -0.02 -0.01 -0.03 -0.02 -0.05 -0.01 0.01 -0.02 0.02 0.03 -0.01 0.00 -0.01 0.02 -0.03 0.02 -0.02 0.04 -0.04 0.01 -0.01 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.01 -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 0.01 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.01 -0.01 0.01 -0.00 0.00 -0.01 0.00 -0.01 0.01 0.00 0.01 -0.00 -0.15 0.04 -0.03 0.07 -0.10 0.12 0.04 -0.04 0.04 -0.06 0.02 -0.02 0.10 0.06 -0.09 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.01 -0.01 -0.01 -0.00 -0.00 -0.02 -0.00 -0.01 -0.01 -0.03 -0.01 0.00 0.00 0.00 0.01 0.04 -0.00 -0.02 0.04 -0.04 0.55 -0.10 0.03 -0.14 0.33 -0.39 0.10 -0.16 0.18 -0.27 0.06 -0.04 -0.27 -0.17 0.25 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 0.02 -0.02 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.01 0.01 0.01 0.02 -0.06 0.04 0.04 0.16 0.03 -0.11 -0.04 -0.14 -0.04 -0.03 -0.05 0.02 0.10 0.01 0.06 -0.15 0.11 0.00 -0.02 0.02 0.02 -0.00 0.00 0.00 0.00 -0.00 -0.01 0.01 -0.01 0.02 0.00 -0.00 -0.01 -0.00 0.01 -0.00 0.00 0.00 -0.01 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.07 0.01 -0.02 -0.05 -0.01 -0.03 -0.13 -0.54 -0.11 0.31 0.12 0.42 0.05 0.23 0.04 -0.16 0.31 -0.28 -0.02 0.01 -0.00 -0.01 0.02 -0.02 -0.01 0.00 -0.00 -0.05 0.02 -0.01 0.00 0.01 -0.01 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.02 0.03 0.00 0.00 0.00 -0.01 0.01 0.01 0.00 -0.01 -0.02 -0.01 0.00 -0.01 -0.05 0.06 -0.04 0.02 -0.00 0.01 0.00 0.01 0.00 -0.00 0.01 -0.00 0.01 -0.02 0.00 0.01 -0.02 0.03 0.01 -0.08 -0.05 -0.07 0.03 0.03 0.03 0.02 0.02 0.02 -0.01 -0.02 -0.00 -0.04 -0.05 -0.05 0.01 0.04 0.00 0.01 -0.00 0.01 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.01 -0.00 0.00 -0.00 -0.00 0.00 -0.06 0.21 0.26 -0.30 0.18 -0.01 0.01 0.00 0.00 0.02 -0.01 0.04 -0.01 -0.02 -0.01 -0.03 -0.00 0.01 -0.02 -0.01 0.02 0.00 -0.02 0.00 0.03 -0.10 -0.10 0.51 0.08 0.39 0.42 0.07 0.25 0.02 0.01 0.02 -0.01 -0.03 -0.02 -0.04 -0.14 -0.03 0.05 -0.08 0.08 0.02 -0.01 0.00 -0.00 0.00 -0.01 0.01 -0.02 0.02 -0.02 0.00 -0.00 -0.01 -0.01 0.01 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.03 -0.02 -0.01 0.01 -0.00 -0.00 -0.00 -0.01 0.00 0.04 0.01 0.02 0.00 -0.06 -0.11 0.05 -0.04 0.04 -0.03 0.00 -0.01 -0.01 -0.00 -0.02 0.02 -0.01 0.01 -0.08 0.02 0.01 -0.04 0.06 0.02 0.05 0.04 0.04 -0.02 -0.03 -0.01 -0.01 -0.00 -0.02 0.01 0.01 0.00 0.02 0.03 0.03 -0.01 -0.02 -0.00 -0.00 -0.00 -0.01 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.07 0.43 0.53 -0.32 0.23 0.02 0.06 0.02 0.04 0.08 -0.03 0.06 -0.01 0.02 0.02 0.05 -0.02 0.03 -0.04 0.00 0.01 0.04 0.03 0.08 0.06 -0.18 -0.19 -0.23 -0.08 -0.25 -0.24 -0.12 -0.12 -0.01 0.01 -0.01 -0.01 0.01 -0.01 0.02 0.07 0.01 -0.03 0.05 -0.05 -0.00 0.00 0.00 0.00 -0.00 0.01 -0.01 0.01 -0.01 0.02 -0.00 0.00 0.01 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.01 -0.03 0.03 -0.00 0.02 0.01 0.00 0.01 -0.01 -0.07 0.00 -0.10 0.03 0.06 -0.06 -0.01 0.00 0.00 0.01 -0.01 -0.00 0.01 -0.01 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 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 -0.07 0.04 0.01 -0.01 0.34 0.13 0.23 0.32 -0.18 0.30 0.12 0.07 0.47 -0.16 -0.09 0.27 -0.19 -0.20 0.12 0.01 -0.30 0.17 -0.01 0.05 0.05 0.00 0.00 0.01 0.01 0.01 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.01 0.00 0.00 -0.01 0.00 0.01 0.00 0.00 -0.00 0.04 0.03 0.02 0.00 -0.04 -0.02 -0.07 0.03 0.00 -0.06 -0.01 -0.06 -0.05 -0.07 0.05 0.00 -0.00 0.00 0.04 -0.02 -0.01 -0.01 0.02 0.01 -0.01 -0.01 -0.01 0.00 0.01 -0.00 0.00 -0.00 0.01 -0.00 -0.00 -0.00 -0.01 -0.01 -0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.03 0.03 0.06 0.19 -0.10 0.03 0.22 0.09 0.17 0.26 -0.11 0.15 0.09 0.13 0.30 0.32 0.09 -0.32 0.23 0.25 -0.16 0.03 0.46 -0.14 0.01 -0.06 -0.06 0.04 0.03 0.07 0.05 0.06 0.01 0.00 -0.01 0.00 0.01 -0.00 0.01 -0.00 -0.01 -0.00 0.01 -0.02 0.02 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.01 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 -0.01 0.01 -0.01 0.01 -0.00 -0.01 -0.00 -0.09 -0.05 -0.06 0.01 0.10 0.07 0.15 -0.06 0.01 -0.01 0.01 -0.01 0.01 -0.03 0.07 -0.01 0.00 -0.00 -0.08 0.03 0.00 0.02 -0.04 -0.02 0.02 0.02 0.01 -0.00 -0.02 0.00 -0.01 0.00 -0.01 0.00 0.01 0.00 0.01 0.02 0.01 -0.00 -0.01 -0.01 -0.00 -0.01 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.13 -0.19 -0.26 -0.51 0.17 -0.10 0.13 0.04 0.09 0.15 -0.07 0.15 0.05 0.02 0.18 -0.08 0.11 -0.26 0.25 0.19 -0.13 -0.10 0.11 -0.35 -0.03 0.08 0.09 -0.00 -0.06 -0.11 -0.05 -0.12 0.01 -0.01 0.01 -0.01 -0.02 -0.00 -0.03 0.00 0.02 -0.00 -0.02 0.03 -0.03 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.01 -0.01 0.02 -0.00 0.00 0.01 0.01 -0.01 0.00 0.00 -0.00 0.00 0.00 0.00 0.02 -0.01 0.00 0.00 -0.00 0.01 0.01 0.03 0.01 -0.01 -0.00 -0.01 0.00 0.01 0.00 0.03 -0.01 0.01 -0.00 -0.00 0.00 0.00 0.00 0.01 0.00 -0.00 -0.00 -0.03 0.02 -0.01 0.00 -0.00 -0.00 0.04 -0.05 0.03 -0.02 0.17 -0.07 0.05 -0.02 0.09 -0.04 -0.07 -0.04 -0.08 -0.12 -0.08 0.04 -0.02 0.06 -0.01 0.10 -0.04 0.04 0.02 -0.03 -0.00 -0.02 0.03 -0.04 0.01 -0.01 -0.04 0.03 -0.03 0.04 -0.03 0.03 0.03 0.02 -0.03 -0.02 0.00 0.00 -0.08 0.03 -0.01 -0.00 0.00 0.00 0.02 -0.00 0.00 0.00 0.01 -0.00 -0.05 0.00 -0.00 0.04 0.01 -0.02 -0.03 -0.03 -0.05 -0.00 0.01 0.01 -0.43 0.03 -0.09 -0.11 0.24 -0.19 0.05 -0.10 0.08 0.26 0.04 0.37 0.03 -0.07 0.07 0.17 -0.28 0.30 -0.03 -0.03 0.03 -0.01 -0.06 0.08 0.03 -0.12 0.14 -0.14 0.00 0.02 -0.16 -0.11 0.15 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.02 -0.01 -0.00 0.00 -0.00 0.01 0.01 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.01 -0.01 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.02 0.01 -0.01 -0.00 0.00 -0.00 0.02 -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 -0.05 -0.03 0.04 -0.02 0.03 -0.04 0.05 -0.01 0.01 0.06 -0.03 0.03 -0.05 0.04 -0.04 -0.04 -0.03 0.04 -0.01 0.01 0.01 -0.04 0.02 -0.00 -0.03 0.01 0.00 0.03 -0.00 0.01 0.00 0.04 -0.01 -0.04 -0.00 0.02 0.04 -0.00 -0.03 -0.03 -0.03 -0.05 0.00 -0.00 -0.00 -0.35 0.33 0.37 -0.03 0.57 -0.26 0.00 0.02 0.00 -0.01 -0.00 0.00 -0.00 -0.01 -0.00 -0.00 -0.00 -0.00 0.10 0.01 -0.03 0.02 0.07 -0.09 -0.02 0.12 -0.15 0.19 -0.00 -0.02 0.21 0.13 -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 -0.01 0.00 -0.01 0.00 0.01 0.01 0.01 -0.00 -0.00 -0.02 0.04 0.02 0.01 -0.02 -0.02 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.01 -0.01 0.01 0.00 0.01 -0.00 -0.01 -0.00 -0.01 -0.01 -0.01 0.01 0.00 0.01 -0.00 0.01 -0.01 -0.01 -0.01 0.01 -0.01 0.01 -0.01 0.01 -0.00 0.00 0.02 -0.01 0.01 -0.01 0.01 -0.01 -0.01 -0.01 0.01 -0.00 -0.02 -0.02 -0.04 0.00 -0.01 0.38 -0.37 -0.22 -0.04 0.17 -0.30 -0.01 -0.34 0.31 0.02 0.07 -0.21 -0.25 0.20 0.19 0.13 0.08 0.29 -0.01 0.00 0.01 0.00 -0.04 -0.05 -0.01 -0.05 0.01 0.00 -0.02 0.01 0.02 0.00 0.03 -0.00 -0.02 0.00 0.02 -0.03 0.03 0.03 0.00 -0.01 0.01 0.02 -0.03 -0.00 0.03 -0.04 0.05 -0.00 -0.01 0.06 0.04 -0.06 0.00 0.00 -0.00 0.00 0.00 0.00 0.01 -0.01 -0.00 0.00 -0.00 0.01 -0.01 -0.02 0.00 -0.01 -0.00 -0.00 0.00 0.00 0.00 0.01 -0.00 0.00 -0.01 0.01 0.01 0.00 -0.01 -0.00 0.00 -0.00 -0.00 -0.01 0.01 -0.00 0.00 0.00 -0.00 0.01 -0.04 -0.02 0.01 -0.07 0.03 -0.03 -0.00 -0.04 0.02 0.04 0.01 0.03 0.06 0.03 -0.02 -0.02 -0.03 0.01 -0.04 0.02 0.06 0.04 -0.05 0.03 -0.04 0.05 -0.06 0.02 -0.01 -0.07 0.03 -0.03 0.06 -0.04 0.05 0.06 0.04 -0.05 -0.01 -0.00 0.00 -0.04 0.01 -0.01 0.12 -0.13 -0.08 0.01 0.06 -0.11 0.00 -0.09 0.10 -0.02 0.02 -0.06 -0.06 0.07 0.05 0.03 0.00 0.06 -0.00 0.00 0.01 -0.17 0.29 0.36 0.01 0.43 -0.17 -0.00 0.09 -0.03 -0.09 -0.00 -0.12 0.00 0.09 -0.02 -0.08 0.14 -0.13 -0.14 -0.01 0.04 -0.02 -0.09 0.11 0.01 -0.14 0.18 -0.23 0.01 0.02 -0.26 -0.17 0.24 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.01 -0.00 0.03 -0.00 -0.01 -0.01 -0.02 0.01 -0.00 -0.03 -0.02 0.02 0.02 0.01 0.02 0.00 -0.00 -0.00 0.01 -0.00 -0.00 -0.00 0.01 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.03 0.05 0.06 0.08 -0.01 0.02 -0.14 -0.24 -0.27 0.43 0.15 -0.32 0.11 0.36 0.15 -0.37 0.02 -0.01 0.16 0.20 -0.10 -0.13 -0.28 -0.20 0.00 -0.03 -0.03 0.04 -0.02 -0.02 0.01 -0.04 0.02 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.01 -0.00 0.00 -0.00 -0.02 -0.05 -0.02 0.00 0.02 0.01 0.02 -0.00 -0.00 0.01 -0.03 0.01 0.01 -0.02 -0.03 -0.00 0.00 -0.00 -0.00 -0.00 0.01 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.02 -0.03 -0.01 0.01 -0.01 -0.36 0.14 0.01 0.25 -0.06 0.09 0.07 0.41 -0.14 0.07 0.11 -0.29 -0.37 0.22 0.28 0.18 0.11 0.41 -0.01 0.01 0.02 -0.02 0.01 0.01 -0.01 0.01 -0.01 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.01 -0.00 0.00 0.00 -0.01 0.01 0.00 -0.01 0.01 0.01 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.06 0.02 0.00 -0.00 -0.02 -0.01 -0.03 0.01 0.00 0.01 0.00 -0.02 0.03 -0.03 0.02 0.00 -0.00 0.00 0.01 -0.00 0.00 -0.00 0.01 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.01 0.00 0.01 0.04 -0.01 0.01 0.08 0.19 0.21 -0.26 -0.11 0.21 -0.08 -0.19 -0.13 -0.50 0.11 -0.26 -0.01 0.53 0.04 -0.05 -0.33 0.04 -0.00 -0.03 -0.01 0.01 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.03 -0.02 0.02 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.01 -0.01 -0.01 0.03 0.05 0.04 -0.00 -0.06 0.00 -0.02 0.03 -0.03 -0.04 0.03 -0.06 -0.02 -0.09 -0.01 0.03 0.02 0.04 -0.10 0.06 -0.06 0.11 0.01 -0.03 -0.00 -0.07 0.09 0.01 -0.08 0.10 0.12 0.00 -0.02 -0.07 0.04 -0.04 0.00 -0.00 -0.00 -0.01 0.00 -0.00 -0.01 0.00 -0.00 0.01 -0.00 0.00 0.00 0.02 -0.00 0.01 0.00 -0.01 -0.02 0.00 0.01 0.01 0.01 0.02 0.00 0.00 0.00 0.03 -0.03 -0.02 0.00 -0.04 0.01 0.07 0.23 0.07 0.10 0.08 0.13 0.08 0.27 0.05 -0.00 0.11 -0.02 -0.38 0.11 -0.08 -0.17 0.23 -0.26 -0.18 0.26 -0.30 -0.39 0.11 -0.08 -0.07 0.06 -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 0.02 0.01 0.02 -0.07 -0.04 -0.09 0.01 0.09 0.00 0.04 -0.06 0.07 0.06 -0.06 0.10 0.04 0.19 0.02 -0.06 -0.04 -0.07 -0.05 0.04 -0.04 0.07 0.00 -0.01 -0.02 -0.03 0.04 -0.00 -0.05 0.07 0.08 -0.01 0.00 -0.02 0.04 -0.04 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.01 -0.00 0.00 -0.00 -0.01 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.08 0.02 -0.01 -0.01 0.07 -0.02 -0.11 -0.39 -0.09 -0.18 -0.17 -0.22 -0.15 -0.52 -0.11 0.01 -0.20 0.04 -0.24 0.07 -0.05 -0.09 0.11 -0.11 -0.11 0.14 -0.16 -0.26 0.05 -0.03 -0.10 0.00 0.01 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.01 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.01 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.01 -0.01 0.01 0.00 -0.00 -0.00 -0.01 0.01 -0.02 0.08 -0.18 0.15 -0.01 0.16 -0.05 -0.08 0.06 -0.13 0.08 -0.09 0.12 0.02 -0.16 0.06 -0.09 0.21 -0.17 0.04 -0.07 0.08 -0.13 0.08 -0.07 -0.10 0.13 -0.15 0.10 -0.13 0.16 0.14 -0.08 0.07 -0.03 0.07 -0.09 -0.00 0.00 0.00 0.01 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.01 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.01 -0.01 0.09 0.08 0.12 0.01 0.00 0.01 -0.10 -0.17 -0.12 0.11 0.14 0.14 0.11 0.12 0.12 0.13 -0.24 0.22 0.19 0.02 -0.05 0.04 -0.17 0.20 -0.07 0.18 -0.22 -0.22 -0.01 0.04 -0.14 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 -0.02 -0.01 0.01 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.01 0.00 0.01 -0.04 -0.02 -0.06 0.03 0.05 0.03 0.06 0.03 0.08 -0.04 -0.01 -0.05 -0.03 -0.03 -0.04 0.03 -0.02 0.04 0.24 0.10 -0.15 -0.28 0.00 0.04 -0.12 -0.06 0.08 0.13 0.05 -0.08 0.28 0.01 -0.05 -0.26 -0.11 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 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.03 0.00 -0.01 0.00 0.02 -0.00 -0.01 -0.11 -0.00 -0.09 -0.03 -0.12 -0.01 0.06 -0.03 -0.01 0.07 -0.03 0.33 -0.13 0.11 -0.18 0.03 -0.01 0.18 0.00 -0.02 -0.32 0.14 -0.12 0.22 0.20 -0.29 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.02 0.01 0.01 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.01 0.01 -0.00 0.00 -0.00 0.00 -0.01 -0.00 0.02 0.00 0.02 -0.12 0.03 -0.18 0.08 0.05 0.10 0.16 0.05 0.22 -0.16 0.00 -0.22 -0.08 -0.04 -0.11 0.11 -0.09 0.17 -0.02 -0.13 0.15 -0.06 0.08 -0.08 -0.05 0.15 -0.18 0.05 -0.13 0.16 0.04 -0.07 0.08 0.04 0.09 -0.12 -0.00 0.00 0.01 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.01 -0.01 -0.09 -0.03 -0.06 0.01 0.03 -0.00 0.03 -0.14 0.07 -0.22 -0.11 -0.29 -0.04 0.15 -0.09 -0.04 0.25 -0.10 0.14 0.04 -0.08 0.12 -0.18 0.20 -0.10 0.16 -0.18 -0.08 -0.05 0.08 -0.17 -0.04 0.07 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.01 0.02 0.01 0.01 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.01 -0.01 -0.01 0.01 -0.01 0.01 -0.01 0.01 0.01 0.01 0.02 0.01 -0.05 -0.20 -0.03 0.08 0.30 0.06 0.10 0.13 0.11 -0.07 -0.19 -0.07 -0.07 -0.25 -0.05 0.01 0.17 -0.03 -0.07 0.06 -0.06 0.12 -0.05 0.05 0.08 -0.09 0.10 -0.07 0.08 -0.09 -0.11 0.05 -0.04 0.04 -0.04 0.04 0.00 -0.01 -0.01 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.01 0.01 0.07 0.07 0.03 0.05 0.01 -0.11 -0.45 -0.08 -0.14 0.04 -0.21 0.07 0.29 0.04 0.12 -0.05 0.17 -0.18 0.00 0.02 -0.03 0.13 -0.15 0.02 -0.11 0.13 0.15 -0.00 -0.02 0.06 -0.03 0.02 -0.01 0.01 -0.00 0.00 0.00 0.01 0.00 -0.00 -0.00 0.00 -0.01 0.02 0.00 0.00 0.00 0.02 -0.01 -0.00 0.01 -0.07 -0.10 -0.02 -0.01 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.19 0.44 0.34 -0.01 0.01 -0.02 0.20 -0.40 -0.24 -0.00 0.00 -0.00 -0.00 -0.01 0.00 0.00 0.01 0.00 0.00 0.00 0.00 -0.00 -0.01 0.00 -0.00 -0.01 -0.00 -0.00 0.01 -0.00 -0.01 0.00 -0.01 0.01 -0.00 0.00 0.01 -0.01 0.01 -0.01 0.01 -0.01 -0.01 0.00 -0.00 0.00 -0.00 0.00 -0.03 0.17 0.22 -0.01 0.02 0.01 -0.00 -0.01 -0.01 0.01 0.00 0.00 -0.01 -0.00 -0.02 -0.01 0.01 -0.02 -0.01 0.03 0.00 0.00 -0.01 0.02 -0.06 -0.19 -0.50 0.01 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 0.01 -0.03 -0.00 -0.00 -0.00 0.01 -0.01 0.01 -0.03 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 0.01 -0.05 -0.01 0.13 -0.45 -0.00 0.00 -0.00 -0.01 -0.00 0.02 -0.01 -0.00 0.01 -0.02 0.03 -0.08 0.01 0.00 -0.01 -0.00 0.00 0.01 -0.01 0.02 0.02 0.05 -0.23 0.71 0.01 -0.01 -0.01 0.02 -0.01 0.03 -0.01 0.01 -0.01 0.00 -0.01 0.00 -0.00 -0.01 -0.00 -0.00 0.00 -0.00 0.00 0.01 -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 0.07 -0.04 -0.06 -0.21 0.11 -0.10 0.00 -0.00 -0.01 -0.00 -0.00 -0.00 0.02 -0.00 0.05 0.00 -0.00 0.00 0.10 0.00 -0.08 -0.03 0.03 -0.09 0.02 -0.08 -0.13 -0.15 0.03 0.05 -0.12 0.13 -0.12 0.01 0.03 0.01 -0.00 -0.00 0.01 -0.00 -0.01 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.03 -0.01 -0.04 0.01 0.01 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.01 -0.16 -0.35 0.33 -0.01 0.55 0.26 0.54 -0.13 -0.17 -0.00 -0.12 -0.05 0.03 0.00 0.04 -0.11 0.03 0.04 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.01 -0.00 -0.01 -0.04 -0.04 0.01 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.01 -0.03 -0.08 0.07 -0.00 0.10 0.05 0.10 -0.02 -0.03 0.01 0.61 0.27 -0.18 -0.00 -0.23 0.60 -0.16 -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 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.02 -0.06 -0.02 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.18 0.54 -0.39 -0.41 0.19 0.56 -0.00 0.00 -0.00 -0.00 -0.02 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.03 -0.05 -0.02 -0.04 0.05 0.03 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.02 0.03 -0.04 0.00 0.44 0.21 -0.44 0.09 0.13 -0.02 -0.47 -0.20 -0.02 0.01 0.00 0.48 -0.11 -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 0.04 -0.05 -0.03 0.03 -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 0.03 0.04 -0.06 0.01 0.48 0.23 -0.47 0.10 0.13 0.02 0.44 0.19 0.01 -0.01 0.00 -0.45 0.10 0.15 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.05 -0.06 0.05 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.01 -0.02 0.02 -0.00 -0.01 0.03 0.25 0.58 -0.57 -0.01 0.26 0.14 0.40 -0.11 -0.11 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.02 -0.00 -0.01 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.05 -0.03 0.08 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.18 0.58 -0.39 0.38 -0.20 -0.53 0.00 0.00 0.00 -0.00 -0.03 0.01 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.01 0.02 -0.02 -0.00 -0.00 0.01 0.00 0.00 -0.00 -0.06 -0.01 -0.06 0.01 -0.01 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.07 -0.23 0.18 0.01 0.01 -0.06 -0.00 -0.01 0.01 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.01 0.17 0.06 0.56 -0.01 0.71 0.17 -0.05 -0.07 -0.06 0.05 -0.05 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.02 -0.06 0.05 0.00 0.00 -0.01 -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 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.21 0.71 -0.56 -0.04 -0.04 0.16 0.01 0.02 -0.02 -0.00 0.00 0.00 0.01 -0.00 -0.00 -0.00 0.05 0.02 0.18 -0.00 0.24 0.06 -0.02 -0.02 0.04 -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 0.01 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.06 0.02 -0.00 0.00 0.00 -0.03 0.02 -0.04 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 0.01 0.02 -0.01 0.00 -0.00 -0.00 0.01 -0.00 0.01 -0.01 0.75 -0.22 0.31 -0.17 0.49 -0.07 -0.10 -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 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -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 -0.01 -0.00 0.00 0.01 0.04 -0.05 0.04 -0.02 0.02 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.01 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.01 -0.03 0.04 0.23 0.03 -0.07 0.11 0.01 -0.03 -0.15 -0.46 0.59 -0.44 0.27 -0.28 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.01 -0.01 0.02 0.02 -0.08 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.04 -0.13 0.10 -0.22 -0.21 0.93 -0.01 -0.02 0.02 0.00 -0.01 -0.00 -0.01 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.01 -0.00 -0.00 -0.03 0.03 -0.03 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.05 0.01 0.00 -0.00 0.00 0.03 -0.01 0.05 -0.02 -0.02 -0.02 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -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 -0.02 0.01 -0.03 -0.01 0.58 -0.16 -0.35 0.19 -0.56 0.18 0.27 0.21 0.00 0.00 -0.00 -0.01 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.01 0.01 -0.01 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.01 0.01 -0.03 -0.01 0.01 0.02 0.00 -0.00 0.01 0.02 -0.03 -0.05 0.03 -0.03 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.01 -0.00 -0.01 0.00 -0.01 0.00 0.00 0.00 0.02 0.06 -0.08 0.39 0.05 -0.12 -0.19 -0.03 0.06 -0.10 -0.29 0.37 0.55 -0.34 0.35 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.01 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.05 0.05 -0.04 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 -0.01 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 0.02 -0.08 0.07 -0.01 -0.01 0.03 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.01 0.01 0.04 -0.00 0.05 0.01 -0.00 -0.00 0.57 -0.55 0.54 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.05 0.15 -0.19 -0.02 -0.00 0.01 -0.06 -0.01 0.02 0.00 0.00 -0.00 -0.03 0.02 -0.02 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.01 0.01 -0.01 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.02 0.05 -0.06 -0.01 -0.00 0.00 -0.02 -0.00 0.01 0.00 -0.00 0.00 -0.01 0.01 -0.01 0.01 -0.02 0.02 -0.00 -0.00 0.01 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.01 -0.00 0.01 0.00 -0.00 -0.00 0.15 -0.15 0.14 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.02 -0.01 0.03 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.18 -0.55 0.72 0.08 0.01 -0.03 0.20 0.03 -0.07 0.00 0.01 -0.01 0.11 -0.07 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 0.01 -0.07 -0.01 0.02 -0.01 -0.00 0.00 -0.01 -0.02 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 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.01 0.00 -0.01 -0.01 -0.02 -0.01 0.01 0.05 -0.06 0.83 0.11 -0.25 0.09 0.01 -0.03 0.08 0.26 -0.33 -0.14 0.09 -0.09 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.01 -0.00 0.00 -0.00 0.00 -0.02 0.01 -0.03 -0.04 -0.06 -0.04 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 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 -0.12 0.03 0.20 -0.11 0.32 0.42 0.63 0.50 0.00 0.00 -0.00 0.02 0.00 -0.01 0.00 0.00 -0.00 0.00 0.01 -0.01 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.04 0.02 -0.07 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 -0.01 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.51 -0.28 0.80 -0.00 0.01 -0.00 -0.01 0.01 -0.02 0.01 0.02 0.01 0.01 0.02 -0.03 0.00 -0.00 -0.00 -0.01 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.01 0.02 0.00 0.00 -0.00 -0.08 -0.01 0.03 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 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.04 0.15 -0.19 -0.04 -0.01 0.01 0.88 0.13 -0.29 -0.01 -0.03 0.04 0.16 -0.10 0.10 17 17 8 8 8 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 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 17 17 8 8 8 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 1 34.96885 34.96885 15.99491 15.99491 15.99491 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 390.07895 0.99846 0.04871 0.02656 -0.04818 0.99864 -0.01999 -0.0275 0.01868 0.99945 asymmetric 1 0.00949 0.00690 0.00546 0.19778 0.14367 0.11372 946889.0 18.22 26.01 34.80 49.99 60.81 67.91 86.81 100.69 115.61 141.25 202.71 222.12 250.12 273.19 286.59 316.00 322.40 350.41 361.49 392.52 397.96 462.79 471.00 483.38 525.59 560.58 582.76 589.70 610.11 638.37 653.54 690.80 713.33 728.79 765.65 779.67 838.70 878.02 907.88 919.87 933.10 977.32 1010.17 1019.47 1056.67 1075.16 1121.85 1149.86 1159.40 1172.71 1213.96 1221.63 1229.52 1275.03 1297.84 1309.08 1317.56 1329.57 1363.32 1409.34 1414.65 1417.21 1418.68 1426.59 1444.84 1451.82 1461.36 1463.08 1464.24 1496.95 1503.92 1549.86 1581.39 1589.72 1598.28 1650.03 1666.76 1683.64 1706.77 1714.44 1718.17 1724.65 1775.11 1799.01 1831.98 1858.35 1879.57 1888.26 1911.11 1921.69 1939.26 1945.15 2002.30 2028.77 2038.45 2057.51 2079.73 2120.77 2135.26 2138.26 2139.24 2148.25 2171.36 2181.77 2182.98 2190.03 2339.54 2341.38 2363.50 2367.10 2404.46 2542.93 4340.94 4356.57 4404.38 4428.15 4433.71 4446.63 4472.88 4532.42 4533.17 4552.32 4555.22 4565.75 4575.36 4578.28 4586.94 4587.66 4597.13 4601.06 4603.27 4626.48 0.360651 0.385137 0.386081 0.302557 -1958.329328 -1958.304841 -1958.303897 -1958.387422 241.677 92.934 175.793 0.000 0.000 0.000 0.889 2.981 43.775 0.889 2.981 35.852 239.900 86.972 96.166 1 0.593 1.987 7.542 2 0.593 1.986 6.835 3 0.593 1.985 6.257 4 0.594 1.983 5.538 5 0.595 1.980 5.150 6 0.595 1.979 4.931 7 0.597 1.973 4.446 8 0.598 1.968 4.154 9 0.600 1.962 3.882 10 0.604 1.950 3.490 11 0.615 1.912 2.792 12 0.620 1.898 2.618 13 0.627 1.875 2.394 14 0.633 1.854 2.229 15 0.637 1.841 2.141 16 0.647 1.811 1.962 17 0.649 1.804 1.926 18 0.659 1.773 1.777 19 0.663 1.761 1.722 20 0.676 1.723 1.578 21 0.678 1.717 1.555 22 0.707 1.632 1.302 23 0.711 1.621 1.273 24 0.717 1.604 1.231 25 0.739 1.544 1.099 26 0.758 1.492 1.002 27 0.770 1.459 0.944 28 0.774 1.449 0.927 29 0.786 1.418 0.878 30 0.803 1.375 0.815 31 0.813 1.352 0.783 32 0.836 1.294 0.710 33 0.851 1.259 0.669 34 0.862 1.236 0.642 35 0.887 1.179 0.582 36 0.897 1.157 0.561 37 0.940 1.068 0.480 38 0.969 1.010 0.432 0.526594e+27 26.721476 61.528472 0.113897e+12 11.056513 25.458562 0.100000e+01 0.000000 0.000000 0.302819e+09 8.481183 19.528645 0.152679e+08 7.183780 16.541265 ./ancestor::cml:module[@dictRef='cc:finalization']/cml:molecule[@id='mol9999'] -0.3454 -1.8719 -2.6948 3.2993 -164.2059 -163.9746 -163.8022 -1.0250 7.9395 -3.0556 -0.2117 0.0196 0.1920 -1.0250 7.9395 -3.0556 -28.6366 -33.5430 10.6803 7.1233 -30.6953 -2.2947 12.5182 9.3493 -29.1120 -9.8012 -7250.3669 -4688.3487 -2233.8606 4.2258 101.2697 -110.0616 -40.1854 10.5459 2.4582 -1904.6987 -1483.3604 -1102.1593 -43.4232 -11.7333 4.5370 (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A) (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(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 -1958.6899786 3.067E-9 7.021E-6 0.360651 0.3851373 -1958.3048413 -1958.3038971 -1958.3874219 1.812821,-0.6246812,-1.1881398,-0.3119056,-6.1110577,-0.7882279 C01 [X(C21H20Cl2O3)] -0.0846117 0.9260139 0.9057054 -0.4881021 -0.2492185 0.1651389 -0.1857714 -0.167259 0.0070666 0.2414761 0.0961141 -0.227595 -0.1119269 0.0539175 0.204172 -0.0378125 -0.2241815 -0.2609007 0.0828852 -0.3598841 -0.602895 -1.737995 0.1024198 -0.3514303 -0.1340732 -0.3657809 -0.100959 -0.5180648 -0.024572 -0.6420452 -0.8149602 0.0027029 0.0553824 -0.0681186 -0.4140382 0.0633111 -0.112671 0.0956768 -0.870763 -1.1339747 -0.6368841 0.5841244 -0.5892565 -1.0979369 0.5435419 0.7581844 0.7302112 -0.7168714 0.4272823 0.101482 0.0520694 0.1623951 0.2736756 0.1347239 0.1443039 0.032406 0.1375884 0.2592034 0.0877553 0.0785002 -0.1905113 -0.2638324 -0.2227496 0.2256182 -0.0498365 0.011533 -0.8854778 -0.0972107 -0.0481107 -0.0781558 0.098272 0.0404908 -0.0987517 -0.032307 -0.0405714 0.0237315 -0.0409728 0.0100341 -0.0213024 0.041818 -0.015593 -0.0435431 0.055129 0.0418585 -0.0364284 0.0400967 0.0677754 0.025062 0.0923528 0.0053595 0.0790091 -0.0437083 -0.0546272 -0.3347773 -0.1937145 -0.0377645 -0.0353667 -0.049233 0.0171754 0.0956212 0.2417525 -0.0734378 2.1092915 0.0789481 0.2917978 0.2776676 0.2745208 -0.0469671 0.4891973 -0.1440328 1.1433688 0.6662276 0.3331357 -0.4647662 0.3595032 0.330114 0.3455999 -0.4324471 0.2649065 0.8809767 0.9744331 -0.1785124 0.0280066 0.0138629 0.4091684 0.0597758 -0.1272519 0.0080675 0.2589272 -0.0032803 -0.0781309 -0.1336054 -0.0306999 0.1440258 -0.0741221 -0.1313157 0.0464914 0.0852703 -0.1108512 0.0673848 -0.0241625 -0.171396 -0.4229224 0.1764662 0.0270846 -0.0694162 -0.1222062 -0.2117652 0.0683998 0.0376045 0.075604 -0.1086265 -0.0459659 0.0300537 -0.0882137 -0.1407414 0.3156081 0.3601797 -0.2403732 0.6817512 1.2045376 -0.6026956 -0.4559157 -0.5222091 0.4410961 -0.0109786 -0.0025276 -0.1377541 -0.0312128 0.1517719 0.0261811 -0.1258982 -0.0294368 0.039388 -0.2111888 -0.212606 0.0409303 -0.066556 -0.1171736 0.0573676 0.0440794 0.1789703 -0.1546136 1.1552401 0.5916459 -0.5676081 0.1888032 0.1584082 -0.1425055 -0.5349999 -0.4110016 0.4750736 -0.3111886 -0.144451 0.1384112 0.0469698 -0.0880013 -0.0267652 -0.0192763 0.0081365 -0.0774882 -0.0861822 -0.0897263 0.0564497 -0.1458569 -0.1660286 0.0275782 0.1714227 0.0396866 -0.1437625 0.0842761 -0.0125747 -0.0189619 0.0023702 -0.0660828 -0.074161 -0.0197818 -0.1267927 0.0780479 0.0661325 -0.0077019 0.0111171 -0.0028623 -0.0843809 -0.1058648 -0.0370343 -0.1108072 0.0726225 -0.0238965 0.0198475 -0.0552005 0.0235774 -0.1434532 -0.0091842 -0.0278039 0.0121125 -0.1226809 0.0149205 -0.069215 0.030109 -0.0606394 0.0006851 0.0180141 -0.034356 -0.0180579 -0.0266421 0.0103298 -0.0309719 -0.0223949 -0.0473839 0.0356124 -0.0037504 -0.0189541 0.0016043 -0.0448603 0.0543569 0.027656 -0.0221242 0.0008604 -0.0110717 0.1202369 0.0150657 0.0686523 -0.066041 0.0454072 -0.0298458 0.0041953 0.0182318 -0.1510309 -0.0936409 0.0277201 -0.0852118 0.0236186 -0.1492397 0.0458966 -0.0208775 -0.0063283 0.0629371 -0.0168684 -0.069062 -0.0147559 0.0204194 0.0772216 -0.0441653 -0.0178588 0.0029872 -0.1720883 -0.0179716 -0.0295139 -0.0541665 0.0409172 0.0695047 -0.0005139 0.0833358 0.0260276 0.0738258 -0.0227174 0.0639012 -0.0191719 -0.0016899 -0.1177798 0.029204 -0.0960395 -0.0188547 0.04877 0.0037809 -0.0817286 0.0475988 0.0335141 0.1294471 0.0249398 0.0734324 -0.002966 0.1342312 0.0179654 0.0249255 -0.0617587 0.060663 -0.0194969 0.0288826 -0.0062302 -0.0019949 -0.0336288 0.0242402 0.0783031 0.1015043 0.0138046 -0.0571843 0.0374917 -0.0258388 0.0135682 0.0052794 -0.0420507 -0.0476303 -0.1086344 -0.0404591 0.0753853 -0.0092068 0.075189 -0.0029378 0.1224679 -0.0221692 0.0966971 0.026426 0.0349742 0.1048397 -0.0121914 0.0380898 -0.0502701 -0.0676179 0.0574056 0.0508899 0.0646025 0.0708147 0.0175541 0.0028004 0.1077957 0.0005741 0.0653989 0.0071647 0.1331912 0.0066097 0.0005812 0.1094975 0.0336897 0.0347961 0.0484181 -0.0231635 -0.0370806 0.0419005 -0.0374047 0.0963533 0.11259 -0.0028655 0.0194916 -0.009995 0.0886192 0.0558416 0.0355076 0.0805109 -0.0161944 -0.0224301 0.0411207 -0.0513968 0.0354223 0.1279537 0.0284591 -0.0469078 0.0333346 0.0709856 -0.0198196 0.0105773 -0.0210526 0.0062632 0.1070655 0.0138523 -0.0162922 0.0119173 0.0499983 0.0638659 -0.0081164 0.0101499 -0.0009748 0.0694992 0.0980422 0.0152923 0.1148194 -0.052519 -0.067422 -0.0388511 0.0654522 -0.0186225 0.1165218 0.035042 0.0568703 0.0441385 0.0563092 300.8336766|13.327217|278.8088979|-24.2932095|-9.5845155|253.1341441 0.000012478 0.000007109 -0.000002290 -0.000003323 0.000012452 0.000018114 -0.000010524 0.000009966 0.000003943 0.000000208 0.000005194 0.000012372 -0.000004442 0.000000571 0.000007641 0.000007728 -0.000016689 -0.000007110 0.000003638 0.000027964 -0.000016596 -0.000011239 -0.000001975 0.000017377 -0.000001577 0.000000165 -0.000001041 -0.000000337 0.000001594 0.000013335 0.000006948 0.000006589 0.000007263 0.000005415 -0.000012832 -0.000010700 -0.000019663 -0.000031869 -0.000021240 0.000015723 -0.000012235 -0.000012704 -0.000001349 0.000011042 0.000008479 0.000003034 -0.000008236 -0.000003006 -0.000000559 -0.000000639 -0.000000896 0.000002309 -0.000000457 0.000001560 0.000001020 -0.000002149 -0.000004175 -0.000000863 0.000002159 -0.000001965 0.000001667 0.000000805 -0.000012115 0.000003959 0.000001526 0.000000152 -0.000000448 0.000001211 -0.000003642 -0.000000019 -0.000002439 0.000000641 -0.000001166 0.000000779 0.000000557 -0.000000846 -0.000001344 0.000002299 0.000001591 -0.000000361 0.000004959 0.000000679 0.000000229 -0.000000922 -0.000000085 0.000000299 0.000002341 -0.000000612 0.000000325 0.000001802 -0.000001311 -0.000000130 0.000002282 0.000000437 0.000000285 -0.000000691 -0.000002942 -0.000001298 -0.000003086 -0.000001637 0.000001436 -0.000000807 0.000000256 -0.000001435 0.000001463 -0.000004446 0.000002732 0.000001519 0.000001719 0.000001448 -0.000000330 0.000000731 0.000000703 -0.000000081 0.000000643 0.000000362 -0.000001033 -0.000000042 0.000000740 -0.000000863 0.000000195 0.000000204 -0.000001876 -0.000002805 -0.000003066 0.000000421 -0.000000105 -0.000001968 0.000000545 -0.000001384 0.000001808 -0.000000014 0.000001811 -0.000000683 -0.000000561 -0.000000467 0.000000104 -0.000001322 371.1288999999997 AuxInfo=1/0/N:6;7;8;9;10;11;12;13;14;15;16;17;18;19;20;21;22;23;24;25;26;1;2;3;4;5;27;28;29;30;31;32;33;34;35;36;37;38;39;40;41;42;43;44;45;46/rA:46nCl0Cl0O0O0O0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:-4.0258,-1.0929,-.8749;-2.1754,-1.2104,-3.1458;1.1518,2.532,1.1499;.4113,2.5319,-.9805;2.762,-2.2701,.6227;-2.4417,2.6847,.2882;-2.1458,1.2045,.174;-1.124,2.1457,.84;-3.4659,3.0923,1.3327;-2.471,3.5499,-.9571;-1.8626,.5488,-1.1168;.186,2.423,.2042;-2.5878,-.4405,-1.6345;2.507,2.6691,.6612;3.0461,1.3721,.1018;2.6279,.1559,.6415;3.9768,1.3878,-.9372;3.1225,-1.0378,.1206;4.4897,.1874,-1.4273;4.0623,-1.0308,-.9089;1.5045,-2.4491,1.1747;.3459,-2.0491,.5083;1.4338,-3.1158,2.3943;-.8933,-2.318,1.0829;.1868,-3.3853,2.9562;-.9792,-2.9853,2.3052;-2.6726,.5782,.885;-1.0599,2.0579,1.9171;-3.4347,2.4434,2.2117;-3.287,4.1202,1.6631;-4.4746,3.0427,.9117;-2.303,4.5973,-.689;-1.7174,3.2659,-1.6875;-3.4571,3.4758,-1.4251;-1.0111,.8893,-1.6932;2.5472,3.458,-.0918;3.0688,2.9833,1.5424;1.9046,.1378,1.4459;4.2864,2.3303,-1.3749;5.2103,.1993,-2.2371;4.4318,-1.9745,-1.2904;.416,-1.5366,-.4433;2.3536,-3.4158,2.8812;-1.7944,-2.0173,.5648;.13,-3.9067,3.905;-1.9483,-3.1963,2.7421; Gaussian 16 12-May-2023 Gaussian 16 3-Jul-2019 EM64L-G16RevC.01 132 C1[X(C21H20Cl2O3)] RB3LYP 6-311+G(d,p) SP #P B3LYP 6-311+G(d,p) EmpiricalDispersion=gd3 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 0 371.1288999999997 AuxInfo=1/0/N:6;7;8;9;10;11;12;13;14;15;16;17;18;19;20;21;22;23;24;25;26;1;2;3;4;5;27;28;29;30;31;32;33;34;35;36;37;38;39;40;41;42;43;44;45;46/rA:46nCl0Cl0O0O0O0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:-4.0258,-1.0929,-.8749;-2.1754,-1.2104,-3.1458;1.1518,2.532,1.1499;.4113,2.5319,-.9805;2.762,-2.2701,.6227;-2.4417,2.6847,.2882;-2.1458,1.2045,.174;-1.124,2.1457,.84;-3.4659,3.0923,1.3327;-2.471,3.5499,-.9571;-1.8626,.5488,-1.1168;.186,2.423,.2042;-2.5878,-.4405,-1.6345;2.507,2.6691,.6612;3.0461,1.3721,.1018;2.6279,.1559,.6415;3.9768,1.3878,-.9372;3.1225,-1.0378,.1206;4.4897,.1874,-1.4273;4.0623,-1.0308,-.9089;1.5045,-2.4491,1.1747;.3459,-2.0491,.5083;1.4338,-3.1158,2.3943;-.8933,-2.318,1.0829;.1868,-3.3853,2.9562;-.9792,-2.9853,2.3052;-2.6726,.5782,.885;-1.0599,2.0579,1.9171;-3.4347,2.4434,2.2117;-3.287,4.1202,1.6631;-4.4746,3.0427,.9117;-2.303,4.5973,-.689;-1.7174,3.2659,-1.6875;-3.4571,3.4758,-1.4251;-1.0111,.8893,-1.6932;2.5472,3.458,-.0918;3.0688,2.9833,1.5424;1.9046,.1378,1.4459;4.2864,2.3303,-1.3749;5.2103,.1993,-2.2371;4.4318,-1.9745,-1.2904;.416,-1.5366,-.4433;2.3536,-3.4158,2.8812;-1.7944,-2.0173,.5648;.13,-3.9067,3.905;-1.9483,-3.1963,2.7421; oldchk=/home/valentin/Almacen/Insecticides/G3/Permethrin-cis/gaussian/gas/CONF2 #P B3LYP 6-311+G(d,p) EmpiricalDispersion=gd3 geom=check guess=read ou 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=1,74=-5,116=-2,124=31/1,2,3 4/5=1/1 5/5=2,38=6/2 6/7=2,8=2,9=2,10=2,28=1/1 99/5=1,6=200,9=1/99 Wavefunction Permethrin-cis/ CONF22 gas 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 35 35 16 16 16 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 1 34.9688527 34.9688527 15.9949146 15.9949146 15.9949146 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 3 3 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 14.2400000 14.2400000 5.6000000 5.6000000 5.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 (Enter /usr/local/gaussian/gaussian16/g16/l101.exe) 6-311+G(d,p) (5D, 7F) 0.10000e-02 0.10000e-05 F 734 A 708 A 708 1130 734 102 102 2645.9965227064 46 46 46 1.00e+00 60 F IExCor= 402 DFT=T Ex+Corr=B3LYP ExCW=0 ScaHFX= 0.200000 ScaDFX= 0.800000 0.720000 1.000000 0.810000 ScalE2= 1.000000 1.000000 IRadAn= 5 IRanWt= -1 IRanGd= 0 ICorTp=0 IEmpDi=131 Grimme-D3 -0.0554971365 0.000000 2.931711 0.000000 6.636762 6.597636 0.000000 5.730413 5.038277 2.255439 0.000000 7.049962 6.300917 5.092188 5.581634 0.000000 4.258260 5.199578 3.698450 3.126027 7.193021 0.000000 3.148367 4.105328 3.686322 3.103821 6.029954 1.513847 0.000000 4.674323 5.315554 2.329067 2.412521 5.886181 1.526797 1.540617 0.000000 4.764751 6.343191 4.655137 4.549439 8.248980 1.518621 2.578584 2.573574 0.000000 4.896940 5.247740 4.312769 3.056832 7.984458 1.516635 2.624168 2.648677 2.538210 0.000000 2.726385 2.703578 4.261157 3.020200 5.688394 2.621424 1.475285 2.631463 3.878224 3.066376 0.000000 5.591565 5.477307 1.356042 1.210832 5.369867 2.642029 2.631251 1.482345 3.880488 3.110999 3.074857 0.000000 1.752259 1.745481 5.529363 4.272900 6.087921 3.672285 2.484410 3.867105 4.696449 4.049235 1.331459 4.390380 0.000000 7.693442 7.174138 1.447158 2.665683 4.945901 4.962679 4.902166 3.672886 6.025392 5.307969 5.172030 2.378250 6.395104 0.000000 7.552609 6.669367 2.456116 3.075560 3.690140 5.645661 5.195178 4.305056 6.846960 6.025173 5.124261 3.048776 6.167828 1.511910 0.000000 6.937643 6.267567 2.843137 3.631799 2.429711 5.676324 4.909901 4.251588 6.799656 6.330402 4.838453 3.360652 5.721939 2.516220 1.394731 0.000000 8.378466 7.034038 3.694041 3.744827 4.157977 6.661822 6.225344 5.454438 7.965640 6.800639 5.902033 4.091967 6.850056 2.521288 1.394963 2.414397 0.000000 7.217522 6.226350 4.205541 4.615851 1.378597 6.696672 5.725944 5.355863 7.869840 7.314094 5.375836 4.539507 6.003827 3.796335 2.411139 1.393112 2.780677 0.000000 8.628898 7.023554 4.825070 4.725475 3.636833 7.564626 6.901402 6.363146 8.907766 7.744604 6.370101 5.116795 7.108365 3.801594 2.413662 2.783404 1.394392 2.401339 0.000000 8.088373 6.629069 5.040174 5.101774 2.360508 7.585483 6.686556 6.328230 8.871221 7.979293 6.135310 5.309733 6.715596 4.309710 2.797860 2.422661 2.420307 1.393928 1.391248 0.000000 6.051774 5.808836 4.993569 5.536231 1.384942 6.535576 5.260669 5.304046 7.445571 7.505778 5.057184 5.139769 5.354764 5.240639 4.257783 2.886537 5.029289 2.391824 4.757412 3.590945 0.000000 4.683909 4.518025 4.695459 4.817269 2.428858 5.497993 4.111709 4.457227 6.453174 6.436694 3.777179 4.485279 3.973174 5.191825 4.377304 3.176059 5.204314 2.980397 5.091131 4.105686 1.395155 0.000000 6.677314 6.881092 5.790106 6.658163 2.370271 7.287023 6.033913 6.053231 7.979619 8.420853 6.051687 6.085368 6.289867 6.133565 5.291135 3.898995 6.152083 3.512784 5.903792 4.708192 1.391754 2.424556 0.000000 3.891770 4.555430 5.263904 5.429575 3.684455 5.296763 3.847376 4.476199 5.995961 6.409556 3.741141 4.941030 3.712224 6.050665 5.486152 4.325947 6.444451 4.323397 6.446293 5.493770 2.403145 1.392142 2.787796 0.000000 6.138230 6.895226 6.261583 7.110585 3.649733 7.132440 5.852126 6.065324 7.611622 8.394897 6.022117 6.427234 6.119248 6.877910 6.241417 4.884310 7.232175 4.708449 7.105915 5.958288 2.405500 2.793366 1.394001 2.411462 0.000000 4.793276 5.856112 6.026303 6.570279 4.163998 6.193259 4.843268 5.338089 6.638296 7.455010 4.998010 5.917933 4.958343 6.843161 6.328107 5.064227 7.361987 5.038787 7.342115 6.290194 2.781056 2.420988 2.418153 1.395266 1.394052 0.000000 2.778583 4.437724 4.302743 4.099671 6.141348 2.201610 1.084069 2.203933 2.674070 3.502164 2.159691 3.469708 2.718999 5.590205 5.826469 5.322933 6.941929 6.064609 7.536479 7.153021 5.166858 4.019436 5.725911 3.404799 5.308023 4.193227 0.000000 5.149685 6.128543 2.388420 3.283984 5.917236 2.226040 2.223946 1.082562 2.683339 3.532397 3.482287 2.149266 4.603366 3.830556 4.541445 4.341065 5.827839 5.504838 6.744022 6.615349 5.238334 4.563832 5.763129 4.457814 5.680012 5.058835 2.419899 0.000000 4.730934 6.605986 4.708599 4.998916 7.946120 2.178095 2.710766 2.703607 1.092968 3.492013 4.140089 4.140060 4.881382 6.144798 6.899309 6.667380 8.121567 7.712893 9.007136 8.832500 7.029038 6.113688 7.391912 5.513948 6.902408 5.958996 2.412488 2.423884 0.000000 5.844951 7.264772 4.742227 4.815463 8.860495 2.159992 3.467158 3.042174 1.094399 2.802964 4.744715 4.131708 5.671303 6.056401 7.078041 7.193492 8.184775 8.370575 9.246381 9.335980 8.145690 7.252021 8.670645 6.893205 8.370864 7.498448 3.678169 3.045905 1.770386 0.000000 4.527254 6.311738 5.654500 5.264266 8.982003 2.156293 3.057139 3.469280 1.094159 2.786380 4.142099 4.754559 4.709100 6.996024 7.746465 7.671526 8.808080 8.659794 9.694430 9.632533 8.122660 7.023226 8.662195 6.449115 8.199205 7.106075 3.053114 3.693331 1.769320 1.770882 0.000000 5.948204 6.307294 4.425262 3.423194 8.633401 2.152259 3.504429 3.120626 2.775766 1.094125 4.094858 3.423586 5.133718 5.355093 6.296110 6.768390 7.056802 7.864264 8.132266 8.499500 8.223269 7.254317 9.108391 7.276533 9.121868 8.259194 4.332169 3.845187 3.786039 2.593943 3.113650 0.000000 4.998835 4.730100 4.101422 2.360023 7.486537 2.183086 2.810409 2.827551 3.494193 1.087261 2.780216 2.812848 3.807637 4.870063 5.429470 5.829089 6.042639 6.724270 6.933445 7.243792 7.157757 6.109641 8.204699 6.287567 8.332336 7.454142 3.841109 3.858023 4.339291 3.797425 3.795756 1.764273 0.000000 4.636757 5.154074 5.363133 4.006591 8.711215 2.142998 3.071749 3.513255 2.784394 1.094051 3.347429 4.127412 4.017121 6.369717 7.003499 7.233290 7.736935 8.127329 8.600306 8.781647 8.153566 6.980359 9.053069 6.814016 8.918988 7.861389 3.787915 4.350523 3.780560 3.159323 2.585234 1.769587 1.771873 0.000000 3.699593 2.806138 3.931897 2.286750 5.438831 3.032491 2.207579 2.829863 4.476092 3.122819 1.083101 2.717661 2.063473 4.592135 4.462772 4.385368 5.069425 4.908231 5.551789 5.481004 5.069298 3.914345 6.223021 4.243444 6.428344 5.567814 3.082911 3.794992 4.851506 5.184911 4.839197 4.053002 2.479328 3.569982 0.000000 8.032914 7.309137 2.084846 2.491912 5.776388 5.062708 5.212835 4.008517 6.190362 5.093071 5.381455 2.594965 6.629251 1.091263 2.153435 3.383480 2.654031 4.537370 4.031569 4.807515 6.130579 5.960987 7.115797 6.824813 7.854377 7.726377 6.041023 4.359654 6.489888 6.128354 7.105276 5.017925 4.557389 6.150574 4.671628 0.000000 8.531778 8.189470 2.008132 3.691996 5.342101 5.659214 5.677050 4.332958 6.538943 6.103848 6.108702 3.227170 7.335718 1.091250 2.161432 3.000051 3.085189 4.265380 4.319200 4.807185 5.665055 5.814510 6.371673 6.634209 7.131862 7.252091 6.259438 4.247637 6.560080 6.457802 7.569900 6.036564 5.780914 7.185758 5.612411 1.779820 0.000000 6.486127 6.288695 2.527141 3.721442 2.685275 5.168833 4.377380 3.683920 6.130577 6.046693 4.574695 3.117272 5.477743 2.717771 2.152486 1.081974 3.396441 2.149840 3.865366 3.400946 2.631618 2.844489 3.421537 3.740410 4.200419 4.336864 4.632427 3.563271 5.866021 6.546708 7.029746 6.492243 5.720309 6.937772 4.349719 3.714971 3.075984 0.000000 9.003352 7.578059 4.030056 3.900347 5.241903 6.939591 6.711198 5.849124 8.246808 6.879227 6.407010 4.394888 7.416178 2.725213 2.153427 3.397738 1.084343 3.864622 2.153192 3.400698 6.089488 6.184902 7.211421 7.380801 8.260313 8.338191 7.523619 6.284402 8.514201 8.354033 9.082411 7.002130 6.084230 7.827882 5.499195 2.437759 3.227938 4.293873 0.000000 9.424977 7.573690 5.777992 5.481862 4.502234 8.432486 7.806186 7.306190 9.817820 8.477440 7.169525 6.012335 7.847484 4.669918 3.395543 3.867419 2.150334 3.383493 1.084028 2.143677 5.690965 6.021179 6.833878 7.390027 8.065644 8.311661 8.487120 7.747689 9.978167 10.138529 10.573369 8.842456 7.595949 9.301516 6.283125 4.723698 5.159608 4.949380 2.477563 0.000000 8.513506 6.905118 6.084538 6.047134 2.556399 8.452451 7.450838 7.237463 9.742998 8.847478 6.783451 6.292686 7.193486 5.392244 3.880414 3.394756 3.411255 2.140657 2.166977 1.082836 3.856254 4.464860 4.885427 5.840079 6.167910 6.574809 7.856233 7.530343 9.677989 10.268779 10.456746 9.429073 8.088944 9.589463 6.163467 5.873618 5.870431 4.282022 4.308080 2.495527 0.000000 4.484721 3.758361 4.430927 4.103814 2.679127 5.149864 3.802329 4.192591 6.296856 5.871246 3.161377 4.018806 3.412286 4.824939 3.959173 2.988967 4.634123 2.809294 4.531604 3.710499 2.152976 1.083078 3.403193 2.157312 3.876407 3.405791 3.971938 4.546463 6.141466 7.081590 6.835467 6.714065 5.400325 6.410102 3.079605 5.441613 5.604436 2.930631 5.549835 5.405185 4.127400 0.000000 7.758903 7.854948 6.310180 7.352609 2.565277 8.181384 6.994365 6.869591 8.866816 9.302198 7.034078 6.779145 7.325466 6.479106 5.579314 4.224773 6.347432 3.723864 6.009144 4.792960 2.137227 3.395525 1.083116 3.870627 2.168294 3.409503 6.723097 6.522563 8.263400 9.491695 9.602892 9.931842 9.060444 9.990172 7.126050 7.491686 6.576735 3.858761 7.407341 6.886729 4.878348 4.282289 0.000000 2.811804 3.816398 5.451455 5.286602 4.563762 4.754432 3.264363 4.225598 5.430624 5.811024 3.068762 4.875315 2.820118 6.361896 5.927316 4.928064 6.867125 5.033211 6.951224 6.119291 3.382485 2.141293 3.869752 1.082011 3.393405 2.151838 2.758668 4.356119 5.029992 6.411165 5.736458 6.751604 5.743800 6.074444 3.763047 7.018497 7.043609 4.370736 7.722718 7.863191 6.496825 2.476563 4.952523 0.000000 6.930737 7.892945 7.077477 8.087165 4.514395 7.946142 6.724845 6.899145 8.278452 9.273932 7.002860 7.332384 7.077273 7.708009 7.129741 5.778794 8.141015 5.613141 8.012642 6.848849 3.386512 3.877501 2.146521 3.396429 1.084147 2.153776 6.090086 6.398782 7.476505 9.007361 8.857516 9.967078 9.280890 9.786660 7.459448 8.720956 7.854331 5.055090 9.168057 8.966269 7.016450 4.960527 2.496698 4.293015 0.000000 4.671414 6.217868 6.705080 7.227486 5.247525 6.391463 5.099044 5.730084 6.620827 7.711536 5.378057 6.524744 5.211319 7.653902 7.265320 6.049063 8.346084 6.102816 8.383374 7.358358 3.864810 3.401337 3.400872 2.153450 2.154142 1.083760 4.268455 5.392278 5.856341 7.515765 6.975432 8.522798 7.837981 8.009899 6.102581 8.515808 8.049699 5.257433 9.293215 9.357736 7.645810 4.300105 4.309752 2.480715 2.485264 0.000000 C21H20Cl2O3 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 0 371.1288999999997 AuxInfo=1/0/N:6;7;8;9;10;11;12;13;14;15;16;17;18;19;20;21;22;23;24;25;26;1;2;3;4;5;27;28;29;30;31;32;33;34;35;36;37;38;39;40;41;42;43;44;45;46/rA:46nCl0Cl0O0O0O0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:-3.6705,1.9749,.533;-2.2455,1.305,3.0059;.8361,-2.4845,-1.4294;-.2306,-2.6081,.554;3.3614,1.6452,.1514;-2.7936,-1.869,-1.0759;-2.1998,-.5396,-.6614;-1.3161,-1.5978,-1.3489;-3.6939,-1.857,-2.2988;-3.2216,-2.87,-.0199;-1.9973,-.1665,.7515;-.2252,-2.2779,-.6109;-2.5607,.886,1.3411;2.026,-3.0202,-.8039;2.7387,-1.9904,.0431;2.697,-.6441,-.3189;3.456,-2.3842,1.1729;3.3504,.3031,.4664;4.1336,-1.4306,1.9317;4.0799,-.0831,1.5896;2.2852,2.2061,-.5159;.9722,2.0125,-.0857;2.5687,3.0378,-1.5952;-.0628,2.6583,-.7565;1.5243,3.6842,-2.2545;.2067,3.4948,-1.8402;-2.4482,.2927,-1.31;-1.0554,-1.3747,-2.3757;-3.3733,-1.1165,-3.0359;-3.6952,-2.8388,-2.7824;-4.7221,-1.6213,-2.0082;-3.2481,-3.8767,-.4476;-2.5564,-2.8885,.8399;-4.2305,-2.6232,.3238;-1.3511,-.7856,1.3616;1.7639,-3.8944,-.2056;2.6429,-3.3332,-1.6479;2.1403,-.3329,-1.1929;3.4711,-3.4268,1.4706;4.6881,-1.736,2.8117;4.5808,.6754,2.1781;.7671,1.3673,.7596;3.6001,3.1687,-1.8987;-1.0816,2.5178,-.4203;1.7437,4.3343,-3.0939;-.6045,3.9986,-2.3526; 0.1977765 0.1436713 0.1137186 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= 708 RedAO= T EigKep= 1.05D-06 NBF= 708 NBsUse= 707 1.00D-06 EigRej= 9.02D-07 NBFU= 707 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= 727 727 727 727 727 MxSgAt= 46 MxSgA2= 46. 1 Closed 1 1 1 -1958.68997860587 -1958.68997860595 -0.000000000078 -1958.68997861 2 1.952106309421e+03 -9.896505582502e+03 3.339768268905e+03 Using DIIS extrapolation, IDIIS= 1040. NGot= 1887436800 LenX= 1886345404 LenY= 1885805914 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. PT1603.800S 2023-05-12T23:40:32.000 -101.57513 -101.57038 -19.17949 -19.16805 -19.12293 -10.31623 -10.29171 -10.24510 -10.24423 -10.24221 -10.21770 -10.21288 -10.20824 -10.20330 -10.19669 -10.18536 -10.18445 -10.18267 -10.18133 -10.18070 -10.18031 -10.17942 -10.17906 -10.17902 -10.17876 -10.16963 -9.48968 -9.48481 -7.25442 -7.24979 -7.24447 -7.24402 -7.23939 -7.23915 -1.12094 -1.08783 -1.03513 -0.92650 -0.90166 -0.87510 -0.86138 -0.84450 -0.79620 -0.77961 -0.76952 -0.75899 -0.75300 -0.73974 -0.72119 -0.70712 -0.66327 -0.64552 -0.62503 -0.61489 -0.59842 -0.59001 -0.56664 -0.55669 -0.55313 -0.52734 -0.51779 -0.50593 -0.49953 -0.49332 -0.48438 -0.48232 -0.47676 -0.47479 -0.46494 -0.45472 -0.44774 -0.44646 -0.44128 -0.43662 -0.42821 -0.42040 -0.41345 -0.41224 -0.40609 -0.40575 -0.39701 -0.39243 -0.38359 -0.38074 -0.37263 -0.36529 -0.36477 -0.36182 -0.35087 -0.34909 -0.33833 -0.33441 -0.32996 -0.32363 -0.32092 -0.30594 -0.29361 -0.26907 -0.26192 -0.25806 -0.25202 -0.23070 -0.03432 -0.03199 -0.02382 -0.01987 -0.01640 -0.01198 -0.00662 -0.00357 0.00553 0.00735 0.01399 0.01838 0.01878 0.02407 0.02687 0.03108 0.03494 0.03821 0.04330 0.04421 0.04894 0.04939 0.05656 0.05736 0.06166 0.06328 0.06889 0.07243 0.07562 0.07754 0.08053 0.08600 0.08674 0.09185 0.09279 0.09798 0.10179 0.10596 0.10674 0.11186 0.11411 0.11458 0.11721 0.11886 0.12057 0.12066 0.12648 0.12892 0.13166 0.13274 0.13594 0.13690 0.14023 0.14197 0.14361 0.14527 0.15046 0.15188 0.15598 0.15843 0.16138 0.16441 0.16547 0.16963 0.17209 0.17438 0.17634 0.17922 0.18168 0.18490 0.18599 0.18862 0.19205 0.19650 0.19879 0.19934 0.20203 0.20302 0.20611 0.20800 0.21007 0.21150 0.21512 0.21751 0.22251 0.22487 0.22667 0.22985 0.23097 0.23258 0.23493 0.23591 0.23902 0.24133 0.24450 0.24718 0.24809 0.24866 0.25126 0.25329 0.25675 0.25823 0.26128 0.26382 0.26523 0.26836 0.26987 0.27355 0.27483 0.27638 0.27859 0.28299 0.28611 0.28816 0.29121 0.29299 0.29773 0.29914 0.30665 0.30816 0.30974 0.31672 0.31892 0.32218 0.32638 0.33001 0.33363 0.33652 0.33893 0.34339 0.34616 0.34970 0.35074 0.35904 0.36244 0.36508 0.36866 0.37172 0.37568 0.37847 0.38593 0.38999 0.39240 0.39534 0.40099 0.40695 0.41546 0.42015 0.42406 0.44137 0.44283 0.44676 0.45432 0.46095 0.46338 0.46693 0.47018 0.48144 0.48801 0.49572 0.49663 0.49922 0.50780 0.51041 0.51867 0.52726 0.53020 0.53852 0.54042 0.54276 0.55193 0.55468 0.55828 0.56167 0.56801 0.56890 0.57274 0.57688 0.58012 0.58526 0.59231 0.59766 0.59970 0.60314 0.60892 0.61860 0.62123 0.62136 0.63099 0.63260 0.63841 0.64637 0.64799 0.65066 0.65637 0.66089 0.66832 0.66968 0.67715 0.67847 0.68587 0.68714 0.69127 0.69286 0.69544 0.69932 0.70289 0.70813 0.71326 0.71492 0.71626 0.72390 0.72795 0.72951 0.73803 0.73814 0.74625 0.74866 0.75105 0.75529 0.76326 0.76862 0.76937 0.77733 0.78150 0.78536 0.78935 0.79250 0.79937 0.80263 0.81152 0.81563 0.82643 0.83020 0.83429 0.83912 0.84405 0.84826 0.85369 0.85584 0.86670 0.87054 0.88364 0.88477 0.89208 0.89558 0.89768 0.91147 0.91648 0.92293 0.93333 0.93795 0.94317 0.94441 0.95301 0.96140 0.96349 0.97042 0.97536 0.97829 0.98771 0.99767 1.00255 1.00589 1.01363 1.02219 1.03155 1.03564 1.04515 1.04986 1.05259 1.05817 1.05848 1.07321 1.07558 1.08068 1.08784 1.09277 1.10569 1.11072 1.11542 1.12154 1.13111 1.14062 1.14522 1.16022 1.16679 1.18478 1.18696 1.19849 1.21554 1.22205 1.22558 1.24883 1.26248 1.28163 1.28627 1.29839 1.31307 1.31889 1.32169 1.33406 1.33911 1.34748 1.35731 1.36690 1.38982 1.39360 1.40046 1.40638 1.42062 1.42797 1.44709 1.45574 1.46368 1.47260 1.48266 1.48758 1.49497 1.51075 1.51564 1.51885 1.52457 1.52885 1.53694 1.54692 1.55547 1.55839 1.57026 1.57440 1.57870 1.58217 1.58729 1.59143 1.59789 1.60496 1.61153 1.61973 1.63186 1.63643 1.64133 1.65128 1.65938 1.66321 1.66994 1.67330 1.67801 1.68390 1.69097 1.69609 1.70541 1.70928 1.71925 1.72565 1.73017 1.73669 1.74325 1.74963 1.75202 1.76144 1.76701 1.77486 1.79316 1.80342 1.80892 1.81463 1.82773 1.83867 1.83941 1.85125 1.86640 1.86938 1.88125 1.88749 1.90243 1.91102 1.91894 1.92109 1.92512 1.92670 1.93493 1.93957 1.94938 1.95065 1.95626 1.97064 1.97574 1.98390 1.99087 1.99944 2.00344 2.00697 2.01208 2.02029 2.02654 2.03464 2.04184 2.04481 2.06226 2.06658 2.07625 2.09859 2.10728 2.11136 2.12169 2.13079 2.14634 2.15638 2.16755 2.18077 2.20230 2.22056 2.22475 2.23398 2.24054 2.26783 2.27940 2.28387 2.29888 2.31520 2.32361 2.33371 2.34031 2.34527 2.36006 2.36454 2.39421 2.40354 2.40833 2.41344 2.42413 2.43069 2.44179 2.46992 2.47727 2.48303 2.49450 2.50207 2.51475 2.51716 2.52404 2.53198 2.53883 2.54514 2.55631 2.59561 2.60698 2.61418 2.62466 2.63408 2.64125 2.64675 2.65319 2.65940 2.66538 2.67468 2.68883 2.70531 2.70874 2.72157 2.72409 2.73113 2.73806 2.74935 2.75395 2.75511 2.75716 2.76639 2.77528 2.78077 2.79062 2.79976 2.80903 2.81256 2.82106 2.82440 2.83306 2.83774 2.85149 2.85537 2.85937 2.87014 2.87482 2.88685 2.89002 2.90365 2.90563 2.91743 2.93013 2.93813 2.95752 2.96801 2.97925 2.98397 2.98989 2.99997 3.02031 3.03363 3.04369 3.07291 3.08673 3.09763 3.10918 3.12222 3.12897 3.14511 3.16473 3.16880 3.17716 3.19204 3.19702 3.20544 3.23580 3.26068 3.27749 3.28893 3.33301 3.35327 3.36713 3.38212 3.39059 3.40155 3.40739 3.44862 3.45887 3.52788 3.54779 3.55512 3.58094 3.60596 3.61532 3.62017 3.65315 3.67848 3.69087 3.71184 3.73158 3.78163 3.80476 3.82457 3.83950 3.84554 3.86045 3.99069 3.99727 4.00797 4.03136 4.03713 4.10734 4.12038 4.14312 4.15653 4.16300 4.17851 4.18515 4.25750 4.30385 4.32443 4.53515 4.55892 4.84657 4.85394 5.10944 5.14399 5.15936 5.30369 5.42322 5.44977 5.65111 5.89125 5.90886 9.79001 9.81792 23.54140 23.60285 23.63018 23.79755 23.83869 23.85979 23.87865 23.94496 23.95174 23.95578 23.96963 23.98706 23.99094 24.00386 24.07530 24.07881 24.09469 24.10455 24.18877 24.19217 24.19696 25.92970 25.94084 26.00551 26.14423 26.65486 26.68453 49.92259 49.98912 50.03734 215.78825 215.81746 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 Cl Cl O O O 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 H 0.164288 0.277634 0.064491 -0.176242 0.049654 0.317407 0.473083 -0.257238 -0.287459 -0.597826 -1.215518 -0.618612 0.053762 -0.036119 0.722575 0.853558 -0.394139 -1.337712 -0.290344 -0.128919 -0.801869 0.342066 -0.076338 0.160268 -0.081640 -0.176279 0.159462 0.177015 0.135675 0.150903 0.150138 0.146445 0.169694 0.145337 0.193328 0.167613 0.184672 0.149364 0.113384 0.130269 0.129365 0.163823 0.129228 0.148731 0.129924 0.123096 -0.00000 -0.3454 -1.8719 -2.6948 3.2993 -164.2059 -163.9746 -163.8022 -1.0250 7.9395 -3.0556 -0.2117 0.0196 0.1920 -1.0250 7.9395 -3.0556 -28.6366 -33.5430 10.6803 7.1233 -30.6953 -2.2947 12.5182 9.3493 -29.1120 -9.8012 -7250.3669 -4688.3486 -2233.8606 4.2258 101.2697 -110.0616 -40.1854 10.5459 2.4582 -1904.6987 -1483.3604 -1102.1593 -43.4232 -11.7333 4.5370 (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A) (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(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-BELVIS18 VALENTIN 2023-05-12T00:00:00.000 0 Wavefunction Permethrin-cis/ CONF22 gas 0 1 Version=EM64L-G16RevC.01 State=1-A HF=-1958.6899786 RMSD=8.502e-10 Dipole=-0.0846118,0.9260139,0.9057054 Quadrupole=1.812821,-0.6246813,-1.1881397,-0.311905,-6.111058,-0.7882279 PG=C01 [X(C21H20Cl2O3)] 0 -4.025781601 -1.0929105605 -0.8748522795 0 -2.1753835682 -1.2104284147 -3.1457867195 0 1.1517671428 2.5319799669 1.1499371416 0 0.4112549876 2.53189023 -0.9804724352 0 2.761983721 -2.270056998 0.622654311 0 -2.4416518658 2.6847279704 0.2882297932 0 -2.1458471791 1.2044606979 0.1740259834 0 -1.1240293499 2.1456875062 0.8399690764 0 -3.4659086441 3.0922941733 1.3327387973 0 -2.4709820325 3.5499188284 -0.9570674023 0 -1.8625541633 0.5487588559 -1.1168133331 0 0.1860404566 2.4230137368 0.2042376031 0 -2.5878424122 -0.440528185 -1.6345498759 0 2.5069694413 2.6691145529 0.6611773414 0 3.0461238382 1.3720760891 0.1018248901 0 2.6279413737 0.1558808937 0.6415166255 0 3.9767729643 1.3878005182 -0.9371976565 0 3.1225449823 -1.0377777616 0.1206449569 0 4.4897026198 0.1873889841 -1.4273450454 0 4.0622817048 -1.0308295605 -0.908860896 0 1.504507104 -2.449053283 1.1747210622 0 0.3459028424 -2.0490907546 0.5082941191 0 1.4337918789 -3.1157876613 2.394329047 0 -0.8933011582 -2.3179561223 1.0828759599 0 0.1868249852 -3.3852603279 2.9561986103 0 -0.9791933884 -2.9853371904 2.3051654346 0 -2.6726268589 0.578160897 0.8849818893 0 -1.0598753884 2.0579432394 1.9170607577 0 -3.4347056568 2.4434150864 2.2116930958 0 -3.2870346023 4.1201809946 1.663136418 0 -4.4745822154 3.0426591906 0.9116717765 0 -2.3030245091 4.5973181344 -0.6890123715 0 -1.7173717406 3.2658958371 -1.6875041881 0 -3.4570867749 3.4758228396 -1.4251006554 0 -1.011117627 0.8892928343 -1.6931808063 0 2.5472074746 3.4579516008 -0.0917983616 0 3.0687654341 2.9833293627 1.5423590644 0 1.9045772441 0.1377984657 1.4459326236 0 4.2863641182 2.3303173488 -1.3749363037 0 5.2102688977 0.1992776961 -2.2371347494 0 4.4317574129 -1.9744777931 -1.290371091 0 0.4160197481 -1.5366106466 -0.4432862569 0 2.3536059668 -3.4158498937 2.8812011588 0 -1.7944074093 -2.0173126792 0.5648318066 0 0.1300116333 -3.9066652696 3.9050314499 0 -1.9482990046 -3.1962683636 2.7420613227 Gaussian 16 12-May-2023 Gaussian 16 3-Jul-2019 EM64L-G16RevC.01 132 C1[X(C21H20Cl2O3)] RB3LYP TD-FC 6-311+G(d,p) SP #P B3LYP 6-311+G(d,p) EmpiricalDispersion=gd3 geom=checkguess=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 0 371.1288999999997 AuxInfo=1/0/N:6;7;8;9;10;11;12;13;14;15;16;17;18;19;20;21;22;23;24;25;26;1;2;3;4;5;27;28;29;30;31;32;33;34;35;36;37;38;39;40;41;42;43;44;45;46/rA:46nCl0Cl0O0O0O0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:-4.0258,-1.0929,-.8749;-2.1754,-1.2104,-3.1458;1.1518,2.532,1.1499;.4113,2.5319,-.9805;2.762,-2.2701,.6227;-2.4417,2.6847,.2882;-2.1458,1.2045,.174;-1.124,2.1457,.84;-3.4659,3.0923,1.3327;-2.471,3.5499,-.9571;-1.8626,.5488,-1.1168;.186,2.423,.2042;-2.5878,-.4405,-1.6345;2.507,2.6691,.6612;3.0461,1.3721,.1018;2.6279,.1559,.6415;3.9768,1.3878,-.9372;3.1225,-1.0378,.1206;4.4897,.1874,-1.4273;4.0623,-1.0308,-.9089;1.5045,-2.4491,1.1747;.3459,-2.0491,.5083;1.4338,-3.1158,2.3943;-.8933,-2.318,1.0829;.1868,-3.3853,2.9562;-.9792,-2.9853,2.3052;-2.6726,.5782,.885;-1.0599,2.0579,1.9171;-3.4347,2.4434,2.2117;-3.287,4.1202,1.6631;-4.4746,3.0427,.9117;-2.303,4.5973,-.689;-1.7174,3.2659,-1.6875;-3.4571,3.4758,-1.4251;-1.0111,.8893,-1.6932;2.5472,3.458,-.0918;3.0688,2.9833,1.5424;1.9046,.1378,1.4459;4.2864,2.3303,-1.3749;5.2103,.1993,-2.2371;4.4318,-1.9745,-1.2904;.416,-1.5366,-.4433;2.3536,-3.4158,2.8812;-1.7944,-2.0173,.5648;.13,-3.9067,3.905;-1.9483,-3.1963,2.7421; oldchk=/home/valentin/Almacen/Insecticides/G3/Permethrin-cis/gaussian/gas/CONF2 #P B3LYP 6-311+G(d,p) EmpiricalDispersion=gd3 geom=check guess=read td 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=1,74=-5,116=-2,124=31/1,2,3,8 4/5=1/1 5/5=2,38=6/2 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 Permethrin-cis/ CONF22 gas 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 35 35 16 16 16 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 1 34.9688527 34.9688527 15.9949146 15.9949146 15.9949146 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 3 3 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 14.2400000 14.2400000 5.6000000 5.6000000 5.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 (Enter /usr/local/gaussian/gaussian16/g16/l101.exe) 6-311+G(d,p) (5D, 7F) 0.10000e-02 0.10000e-05 F 734 A 708 A 708 1130 734 102 102 2645.9965227064 46 46 46 1.00e+00 60 F IExCor= 402 DFT=T Ex+Corr=B3LYP ExCW=0 ScaHFX= 0.200000 ScaDFX= 0.800000 0.720000 1.000000 0.810000 ScalE2= 1.000000 1.000000 IRadAn= 5 IRanWt= -1 IRanGd= 0 ICorTp=0 IEmpDi=131 Grimme-D3 -0.0554971365 0.000000 2.931711 0.000000 6.636762 6.597636 0.000000 5.730413 5.038277 2.255439 0.000000 7.049962 6.300917 5.092188 5.581634 0.000000 4.258260 5.199578 3.698450 3.126027 7.193021 0.000000 3.148367 4.105328 3.686322 3.103821 6.029954 1.513847 0.000000 4.674323 5.315554 2.329067 2.412521 5.886181 1.526797 1.540617 0.000000 4.764751 6.343191 4.655137 4.549439 8.248980 1.518621 2.578584 2.573574 0.000000 4.896940 5.247740 4.312769 3.056832 7.984458 1.516635 2.624168 2.648677 2.538210 0.000000 2.726385 2.703578 4.261157 3.020200 5.688394 2.621424 1.475285 2.631463 3.878224 3.066376 0.000000 5.591565 5.477307 1.356042 1.210832 5.369867 2.642029 2.631251 1.482345 3.880488 3.110999 3.074857 0.000000 1.752259 1.745481 5.529363 4.272900 6.087921 3.672285 2.484410 3.867105 4.696449 4.049235 1.331459 4.390380 0.000000 7.693442 7.174138 1.447158 2.665683 4.945901 4.962679 4.902166 3.672886 6.025392 5.307969 5.172030 2.378250 6.395104 0.000000 7.552609 6.669367 2.456116 3.075560 3.690140 5.645661 5.195178 4.305056 6.846960 6.025173 5.124261 3.048776 6.167828 1.511910 0.000000 6.937643 6.267567 2.843137 3.631799 2.429711 5.676324 4.909901 4.251588 6.799656 6.330402 4.838453 3.360652 5.721939 2.516220 1.394731 0.000000 8.378466 7.034038 3.694041 3.744827 4.157977 6.661822 6.225344 5.454438 7.965640 6.800639 5.902033 4.091967 6.850056 2.521288 1.394963 2.414397 0.000000 7.217522 6.226350 4.205541 4.615851 1.378597 6.696672 5.725944 5.355863 7.869840 7.314094 5.375836 4.539507 6.003827 3.796335 2.411139 1.393112 2.780677 0.000000 8.628898 7.023554 4.825070 4.725475 3.636833 7.564626 6.901402 6.363146 8.907766 7.744604 6.370101 5.116795 7.108365 3.801594 2.413662 2.783404 1.394392 2.401339 0.000000 8.088373 6.629069 5.040174 5.101774 2.360508 7.585483 6.686556 6.328230 8.871221 7.979293 6.135310 5.309733 6.715596 4.309710 2.797860 2.422661 2.420307 1.393928 1.391248 0.000000 6.051774 5.808836 4.993569 5.536231 1.384942 6.535576 5.260669 5.304046 7.445571 7.505778 5.057184 5.139769 5.354764 5.240639 4.257783 2.886537 5.029289 2.391824 4.757412 3.590945 0.000000 4.683909 4.518025 4.695459 4.817269 2.428858 5.497993 4.111709 4.457227 6.453174 6.436694 3.777179 4.485279 3.973174 5.191825 4.377304 3.176059 5.204314 2.980397 5.091131 4.105686 1.395155 0.000000 6.677314 6.881092 5.790106 6.658163 2.370271 7.287023 6.033913 6.053231 7.979619 8.420853 6.051687 6.085368 6.289867 6.133565 5.291135 3.898995 6.152083 3.512784 5.903792 4.708192 1.391754 2.424556 0.000000 3.891770 4.555430 5.263904 5.429575 3.684455 5.296763 3.847376 4.476199 5.995961 6.409556 3.741141 4.941030 3.712224 6.050665 5.486152 4.325947 6.444451 4.323397 6.446293 5.493770 2.403145 1.392142 2.787796 0.000000 6.138230 6.895226 6.261583 7.110585 3.649733 7.132440 5.852126 6.065324 7.611622 8.394897 6.022117 6.427234 6.119248 6.877910 6.241417 4.884310 7.232175 4.708449 7.105915 5.958288 2.405500 2.793366 1.394001 2.411462 0.000000 4.793276 5.856112 6.026303 6.570279 4.163998 6.193259 4.843268 5.338089 6.638296 7.455010 4.998010 5.917933 4.958343 6.843161 6.328107 5.064227 7.361987 5.038787 7.342115 6.290194 2.781056 2.420988 2.418153 1.395266 1.394052 0.000000 2.778583 4.437724 4.302743 4.099671 6.141348 2.201610 1.084069 2.203933 2.674070 3.502164 2.159691 3.469708 2.718999 5.590205 5.826469 5.322933 6.941929 6.064609 7.536479 7.153021 5.166858 4.019436 5.725911 3.404799 5.308023 4.193227 0.000000 5.149685 6.128543 2.388420 3.283984 5.917236 2.226040 2.223946 1.082562 2.683339 3.532397 3.482287 2.149266 4.603366 3.830556 4.541445 4.341065 5.827839 5.504838 6.744022 6.615349 5.238334 4.563832 5.763129 4.457814 5.680012 5.058835 2.419899 0.000000 4.730934 6.605986 4.708599 4.998916 7.946120 2.178095 2.710766 2.703607 1.092968 3.492013 4.140089 4.140060 4.881382 6.144798 6.899309 6.667380 8.121567 7.712893 9.007136 8.832500 7.029038 6.113688 7.391912 5.513948 6.902408 5.958996 2.412488 2.423884 0.000000 5.844951 7.264772 4.742227 4.815463 8.860495 2.159992 3.467158 3.042174 1.094399 2.802964 4.744715 4.131708 5.671303 6.056401 7.078041 7.193492 8.184775 8.370575 9.246381 9.335980 8.145690 7.252021 8.670645 6.893205 8.370864 7.498448 3.678169 3.045905 1.770386 0.000000 4.527254 6.311738 5.654500 5.264266 8.982003 2.156293 3.057139 3.469280 1.094159 2.786380 4.142099 4.754559 4.709100 6.996024 7.746465 7.671526 8.808080 8.659794 9.694430 9.632533 8.122660 7.023226 8.662195 6.449115 8.199205 7.106075 3.053114 3.693331 1.769320 1.770882 0.000000 5.948204 6.307294 4.425262 3.423194 8.633401 2.152259 3.504429 3.120626 2.775766 1.094125 4.094858 3.423586 5.133718 5.355093 6.296110 6.768390 7.056802 7.864264 8.132266 8.499500 8.223269 7.254317 9.108391 7.276533 9.121868 8.259194 4.332169 3.845187 3.786039 2.593943 3.113650 0.000000 4.998835 4.730100 4.101422 2.360023 7.486537 2.183086 2.810409 2.827551 3.494193 1.087261 2.780216 2.812848 3.807637 4.870063 5.429470 5.829089 6.042639 6.724270 6.933445 7.243792 7.157757 6.109641 8.204699 6.287567 8.332336 7.454142 3.841109 3.858023 4.339291 3.797425 3.795756 1.764273 0.000000 4.636757 5.154074 5.363133 4.006591 8.711215 2.142998 3.071749 3.513255 2.784394 1.094051 3.347429 4.127412 4.017121 6.369717 7.003499 7.233290 7.736935 8.127329 8.600306 8.781647 8.153566 6.980359 9.053069 6.814016 8.918988 7.861389 3.787915 4.350523 3.780560 3.159323 2.585234 1.769587 1.771873 0.000000 3.699593 2.806138 3.931897 2.286750 5.438831 3.032491 2.207579 2.829863 4.476092 3.122819 1.083101 2.717661 2.063473 4.592135 4.462772 4.385368 5.069425 4.908231 5.551789 5.481004 5.069298 3.914345 6.223021 4.243444 6.428344 5.567814 3.082911 3.794992 4.851506 5.184911 4.839197 4.053002 2.479328 3.569982 0.000000 8.032914 7.309137 2.084846 2.491912 5.776388 5.062708 5.212835 4.008517 6.190362 5.093071 5.381455 2.594965 6.629251 1.091263 2.153435 3.383480 2.654031 4.537370 4.031569 4.807515 6.130579 5.960987 7.115797 6.824813 7.854377 7.726377 6.041023 4.359654 6.489888 6.128354 7.105276 5.017925 4.557389 6.150574 4.671628 0.000000 8.531778 8.189470 2.008132 3.691996 5.342101 5.659214 5.677050 4.332958 6.538943 6.103848 6.108702 3.227170 7.335718 1.091250 2.161432 3.000051 3.085189 4.265380 4.319200 4.807185 5.665055 5.814510 6.371673 6.634209 7.131862 7.252091 6.259438 4.247637 6.560080 6.457802 7.569900 6.036564 5.780914 7.185758 5.612411 1.779820 0.000000 6.486127 6.288695 2.527141 3.721442 2.685275 5.168833 4.377380 3.683920 6.130577 6.046693 4.574695 3.117272 5.477743 2.717771 2.152486 1.081974 3.396441 2.149840 3.865366 3.400946 2.631618 2.844489 3.421537 3.740410 4.200419 4.336864 4.632427 3.563271 5.866021 6.546708 7.029746 6.492243 5.720309 6.937772 4.349719 3.714971 3.075984 0.000000 9.003352 7.578059 4.030056 3.900347 5.241903 6.939591 6.711198 5.849124 8.246808 6.879227 6.407010 4.394888 7.416178 2.725213 2.153427 3.397738 1.084343 3.864622 2.153192 3.400698 6.089488 6.184902 7.211421 7.380801 8.260313 8.338191 7.523619 6.284402 8.514201 8.354033 9.082411 7.002130 6.084230 7.827882 5.499195 2.437759 3.227938 4.293873 0.000000 9.424977 7.573690 5.777992 5.481862 4.502234 8.432486 7.806186 7.306190 9.817820 8.477440 7.169525 6.012335 7.847484 4.669918 3.395543 3.867419 2.150334 3.383493 1.084028 2.143677 5.690965 6.021179 6.833878 7.390027 8.065644 8.311661 8.487120 7.747689 9.978167 10.138529 10.573369 8.842456 7.595949 9.301516 6.283125 4.723698 5.159608 4.949380 2.477563 0.000000 8.513506 6.905118 6.084538 6.047134 2.556399 8.452451 7.450838 7.237463 9.742998 8.847478 6.783451 6.292686 7.193486 5.392244 3.880414 3.394756 3.411255 2.140657 2.166977 1.082836 3.856254 4.464860 4.885427 5.840079 6.167910 6.574809 7.856233 7.530343 9.677989 10.268779 10.456746 9.429073 8.088944 9.589463 6.163467 5.873618 5.870431 4.282022 4.308080 2.495527 0.000000 4.484721 3.758361 4.430927 4.103814 2.679127 5.149864 3.802329 4.192591 6.296856 5.871246 3.161377 4.018806 3.412286 4.824939 3.959173 2.988967 4.634123 2.809294 4.531604 3.710499 2.152976 1.083078 3.403193 2.157312 3.876407 3.405791 3.971938 4.546463 6.141466 7.081590 6.835467 6.714065 5.400325 6.410102 3.079605 5.441613 5.604436 2.930631 5.549835 5.405185 4.127400 0.000000 7.758903 7.854948 6.310180 7.352609 2.565277 8.181384 6.994365 6.869591 8.866816 9.302198 7.034078 6.779145 7.325466 6.479106 5.579314 4.224773 6.347432 3.723864 6.009144 4.792960 2.137227 3.395525 1.083116 3.870627 2.168294 3.409503 6.723097 6.522563 8.263400 9.491695 9.602892 9.931842 9.060444 9.990172 7.126050 7.491686 6.576735 3.858761 7.407341 6.886729 4.878348 4.282289 0.000000 2.811804 3.816398 5.451455 5.286602 4.563762 4.754432 3.264363 4.225598 5.430624 5.811024 3.068762 4.875315 2.820118 6.361896 5.927316 4.928064 6.867125 5.033211 6.951224 6.119291 3.382485 2.141293 3.869752 1.082011 3.393405 2.151838 2.758668 4.356119 5.029992 6.411165 5.736458 6.751604 5.743800 6.074444 3.763047 7.018497 7.043609 4.370736 7.722718 7.863191 6.496825 2.476563 4.952523 0.000000 6.930737 7.892945 7.077477 8.087165 4.514395 7.946142 6.724845 6.899145 8.278452 9.273932 7.002860 7.332384 7.077273 7.708009 7.129741 5.778794 8.141015 5.613141 8.012642 6.848849 3.386512 3.877501 2.146521 3.396429 1.084147 2.153776 6.090086 6.398782 7.476505 9.007361 8.857516 9.967078 9.280890 9.786660 7.459448 8.720956 7.854331 5.055090 9.168057 8.966269 7.016450 4.960527 2.496698 4.293015 0.000000 4.671414 6.217868 6.705080 7.227486 5.247525 6.391463 5.099044 5.730084 6.620827 7.711536 5.378057 6.524744 5.211319 7.653902 7.265320 6.049063 8.346084 6.102816 8.383374 7.358358 3.864810 3.401337 3.400872 2.153450 2.154142 1.083760 4.268455 5.392278 5.856341 7.515765 6.975432 8.522798 7.837981 8.009899 6.102581 8.515808 8.049699 5.257433 9.293215 9.357736 7.645810 4.300105 4.309752 2.480715 2.485264 0.000000 C21H20Cl2O3 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 0 371.1288999999997 AuxInfo=1/0/N:6;7;8;9;10;11;12;13;14;15;16;17;18;19;20;21;22;23;24;25;26;1;2;3;4;5;27;28;29;30;31;32;33;34;35;36;37;38;39;40;41;42;43;44;45;46/rA:46nCl0Cl0O0O0O0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:-3.6705,1.9749,.533;-2.2455,1.305,3.0059;.8361,-2.4845,-1.4294;-.2306,-2.6081,.554;3.3614,1.6452,.1514;-2.7936,-1.869,-1.0759;-2.1998,-.5396,-.6614;-1.3161,-1.5978,-1.3489;-3.6939,-1.857,-2.2988;-3.2216,-2.87,-.0199;-1.9973,-.1665,.7515;-.2252,-2.2779,-.6109;-2.5607,.886,1.3411;2.026,-3.0202,-.8039;2.7387,-1.9904,.0431;2.697,-.6441,-.3189;3.456,-2.3842,1.1729;3.3504,.3031,.4664;4.1336,-1.4306,1.9317;4.0799,-.0831,1.5896;2.2852,2.2061,-.5159;.9722,2.0125,-.0857;2.5687,3.0378,-1.5952;-.0628,2.6583,-.7565;1.5243,3.6842,-2.2545;.2067,3.4948,-1.8402;-2.4482,.2927,-1.31;-1.0554,-1.3747,-2.3757;-3.3733,-1.1165,-3.0359;-3.6952,-2.8388,-2.7824;-4.7221,-1.6213,-2.0082;-3.2481,-3.8767,-.4476;-2.5564,-2.8885,.8399;-4.2305,-2.6232,.3238;-1.3511,-.7856,1.3616;1.7639,-3.8944,-.2056;2.6429,-3.3332,-1.6479;2.1403,-.3329,-1.1929;3.4711,-3.4268,1.4706;4.6881,-1.736,2.8117;4.5808,.6754,2.1781;.7671,1.3673,.7596;3.6001,3.1687,-1.8987;-1.0816,2.5178,-.4203;1.7437,4.3343,-3.0939;-.6045,3.9986,-2.3526; 0.1977765 0.1436713 0.1137186 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= 708 RedAO= T EigKep= 1.05D-06 NBF= 708 NBsUse= 707 1.00D-06 EigRej= 9.02D-07 NBFU= 707 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= 727 727 727 727 727 MxSgAt= 46 MxSgA2= 46. 1 Closed 1 1 1 -1958.68997860587 -1958.68997860590 -0.000000000026 -1958.68997861 2 1.952106309421e+03 -9.896505582502e+03 3.339768268905e+03 Using DIIS extrapolation, IDIIS= 1040. NGot= 1887436800 LenX= 1886345404 LenY= 1885805914 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 4.6249 268.08 0.0148 0.000 99 105 -0.11003 102 103 0.59671 102 104 -0.31449 -1958.52001700 2 Singlet-A 4.8574 255.25 0.0202 0.000 102 103 0.32991 102 104 0.61787 3 Singlet-A 4.9969 248.12 0.1143 0.000 99 104 -0.11288 102 105 0.63288 102 107 -0.20150 4 Singlet-A 5.0690 244.59 0.0306 0.000 98 105 0.17814 99 109 -0.11948 100 103 0.11971 100 109 -0.11530 102 105 0.23243 102 107 0.56195 102 108 -0.10632 5 Singlet-A 5.2446 236.40 0.0171 0.000 101 103 0.25084 101 105 -0.14155 101 106 -0.36697 102 106 0.49235 102 108 -0.11910 6 Singlet-A 5.2809 234.78 0.0040 0.000 101 103 -0.31110 101 105 0.15439 101 106 0.36390 102 106 0.44429 102 108 -0.14547 7 Singlet-A 5.3629 231.19 0.0201 0.000 100 103 0.30184 101 103 -0.32722 101 106 -0.22776 101 108 -0.11167 102 106 0.10639 102 108 0.41469 102 109 0.10084 8 Singlet-A 5.3808 230.42 0.0032 0.000 99 103 0.12036 99 104 -0.13436 100 103 -0.24710 100 104 0.18457 101 103 0.11454 101 106 0.12974 102 106 0.16306 102 107 0.24741 102 108 0.42841 102 109 -0.20373 9 Singlet-A 5.4056 229.36 0.0182 0.000 99 103 -0.12259 100 103 0.28747 100 104 -0.12990 101 103 0.40277 101 106 0.28561 101 108 0.15934 102 107 -0.10155 102 108 0.20143 102 109 0.14659 10 Singlet-A 5.4856 226.02 0.0180 0.000 97 103 -0.16162 97 108 -0.12831 99 103 -0.10207 100 103 -0.27241 100 104 -0.28425 101 104 0.37647 102 108 0.18344 102 109 0.16853 PT63989.800S 2023-05-13T02:10:53.000 -101.57513 -101.57038 -19.17949 -19.16805 -19.12293 -10.31623 -10.29171 -10.24510 -10.24423 -10.24221 -10.21770 -10.21288 -10.20824 -10.20330 -10.19669 -10.18536 -10.18445 -10.18267 -10.18133 -10.18070 -10.18031 -10.17942 -10.17906 -10.17902 -10.17876 -10.16963 -9.48968 -9.48481 -7.25442 -7.24979 -7.24447 -7.24402 -7.23939 -7.23915 -1.12094 -1.08783 -1.03513 -0.92650 -0.90166 -0.87510 -0.86138 -0.84450 -0.79620 -0.77961 -0.76952 -0.75899 -0.75300 -0.73974 -0.72119 -0.70712 -0.66327 -0.64552 -0.62503 -0.61489 -0.59842 -0.59001 -0.56664 -0.55669 -0.55313 -0.52734 -0.51779 -0.50593 -0.49953 -0.49332 -0.48438 -0.48232 -0.47676 -0.47479 -0.46494 -0.45472 -0.44774 -0.44646 -0.44128 -0.43662 -0.42821 -0.42040 -0.41345 -0.41224 -0.40609 -0.40575 -0.39701 -0.39243 -0.38359 -0.38074 -0.37263 -0.36529 -0.36477 -0.36182 -0.35087 -0.34909 -0.33833 -0.33441 -0.32996 -0.32363 -0.32092 -0.30594 -0.29361 -0.26907 -0.26192 -0.25806 -0.25202 -0.23070 -0.03432 -0.03199 -0.02382 -0.01987 -0.01640 -0.01198 -0.00662 -0.00357 0.00553 0.00735 0.01399 0.01838 0.01878 0.02407 0.02687 0.03108 0.03494 0.03821 0.04330 0.04421 0.04894 0.04939 0.05656 0.05736 0.06166 0.06328 0.06889 0.07243 0.07562 0.07754 0.08053 0.08600 0.08674 0.09185 0.09279 0.09798 0.10179 0.10596 0.10674 0.11186 0.11411 0.11458 0.11721 0.11886 0.12057 0.12066 0.12648 0.12892 0.13166 0.13274 0.13594 0.13690 0.14023 0.14197 0.14361 0.14527 0.15046 0.15188 0.15598 0.15843 0.16138 0.16441 0.16547 0.16963 0.17209 0.17438 0.17634 0.17922 0.18168 0.18490 0.18599 0.18862 0.19205 0.19650 0.19879 0.19934 0.20203 0.20302 0.20611 0.20800 0.21007 0.21150 0.21512 0.21751 0.22251 0.22487 0.22667 0.22985 0.23097 0.23258 0.23493 0.23591 0.23902 0.24133 0.24450 0.24718 0.24809 0.24866 0.25126 0.25329 0.25675 0.25823 0.26128 0.26382 0.26523 0.26836 0.26987 0.27355 0.27483 0.27638 0.27859 0.28299 0.28611 0.28816 0.29121 0.29299 0.29773 0.29914 0.30665 0.30816 0.30974 0.31672 0.31892 0.32218 0.32638 0.33001 0.33363 0.33652 0.33893 0.34339 0.34616 0.34970 0.35074 0.35904 0.36244 0.36508 0.36866 0.37172 0.37568 0.37847 0.38593 0.38999 0.39240 0.39534 0.40099 0.40695 0.41546 0.42015 0.42406 0.44137 0.44283 0.44676 0.45432 0.46095 0.46338 0.46693 0.47018 0.48144 0.48801 0.49572 0.49663 0.49922 0.50780 0.51041 0.51867 0.52726 0.53020 0.53852 0.54042 0.54276 0.55193 0.55468 0.55828 0.56167 0.56801 0.56890 0.57274 0.57688 0.58012 0.58526 0.59231 0.59766 0.59970 0.60314 0.60892 0.61860 0.62123 0.62136 0.63099 0.63260 0.63841 0.64637 0.64799 0.65066 0.65637 0.66089 0.66832 0.66968 0.67715 0.67847 0.68587 0.68714 0.69127 0.69286 0.69544 0.69932 0.70289 0.70813 0.71326 0.71492 0.71626 0.72390 0.72795 0.72951 0.73803 0.73814 0.74625 0.74866 0.75105 0.75529 0.76326 0.76862 0.76937 0.77733 0.78150 0.78536 0.78935 0.79250 0.79937 0.80263 0.81152 0.81563 0.82643 0.83020 0.83429 0.83912 0.84405 0.84826 0.85369 0.85584 0.86670 0.87054 0.88364 0.88477 0.89208 0.89558 0.89768 0.91147 0.91648 0.92293 0.93333 0.93795 0.94317 0.94441 0.95301 0.96140 0.96349 0.97042 0.97536 0.97829 0.98771 0.99767 1.00255 1.00589 1.01363 1.02219 1.03155 1.03564 1.04515 1.04986 1.05259 1.05817 1.05848 1.07321 1.07558 1.08068 1.08784 1.09277 1.10569 1.11072 1.11542 1.12154 1.13111 1.14062 1.14522 1.16022 1.16679 1.18478 1.18696 1.19849 1.21554 1.22205 1.22558 1.24883 1.26248 1.28163 1.28627 1.29839 1.31307 1.31889 1.32169 1.33406 1.33911 1.34748 1.35731 1.36690 1.38982 1.39360 1.40046 1.40638 1.42062 1.42797 1.44709 1.45574 1.46368 1.47260 1.48266 1.48758 1.49497 1.51075 1.51564 1.51885 1.52457 1.52885 1.53694 1.54692 1.55547 1.55839 1.57026 1.57440 1.57870 1.58217 1.58729 1.59143 1.59789 1.60496 1.61153 1.61973 1.63186 1.63643 1.64133 1.65128 1.65938 1.66321 1.66994 1.67330 1.67801 1.68390 1.69097 1.69609 1.70541 1.70928 1.71925 1.72565 1.73017 1.73669 1.74325 1.74963 1.75202 1.76144 1.76701 1.77486 1.79316 1.80342 1.80892 1.81463 1.82773 1.83867 1.83941 1.85125 1.86640 1.86938 1.88125 1.88749 1.90243 1.91102 1.91894 1.92109 1.92512 1.92670 1.93493 1.93957 1.94938 1.95065 1.95626 1.97064 1.97574 1.98390 1.99087 1.99944 2.00344 2.00697 2.01208 2.02029 2.02654 2.03464 2.04184 2.04481 2.06226 2.06658 2.07625 2.09859 2.10728 2.11136 2.12169 2.13079 2.14634 2.15638 2.16755 2.18077 2.20230 2.22056 2.22475 2.23398 2.24054 2.26783 2.27940 2.28387 2.29888 2.31520 2.32361 2.33371 2.34031 2.34527 2.36006 2.36454 2.39421 2.40354 2.40833 2.41344 2.42413 2.43069 2.44179 2.46992 2.47727 2.48303 2.49450 2.50207 2.51475 2.51716 2.52404 2.53198 2.53883 2.54514 2.55631 2.59561 2.60698 2.61418 2.62466 2.63408 2.64125 2.64675 2.65319 2.65940 2.66538 2.67468 2.68883 2.70531 2.70874 2.72157 2.72409 2.73113 2.73806 2.74935 2.75395 2.75511 2.75716 2.76639 2.77528 2.78077 2.79062 2.79976 2.80903 2.81256 2.82106 2.82440 2.83306 2.83774 2.85149 2.85537 2.85937 2.87014 2.87482 2.88685 2.89002 2.90365 2.90563 2.91743 2.93013 2.93813 2.95752 2.96801 2.97925 2.98397 2.98989 2.99997 3.02031 3.03363 3.04369 3.07291 3.08673 3.09763 3.10918 3.12222 3.12897 3.14511 3.16473 3.16880 3.17716 3.19204 3.19702 3.20544 3.23580 3.26068 3.27749 3.28893 3.33301 3.35327 3.36713 3.38212 3.39059 3.40155 3.40739 3.44862 3.45887 3.52788 3.54779 3.55512 3.58094 3.60596 3.61532 3.62017 3.65315 3.67848 3.69087 3.71184 3.73158 3.78163 3.80476 3.82457 3.83950 3.84554 3.86045 3.99069 3.99727 4.00797 4.03136 4.03713 4.10734 4.12038 4.14312 4.15653 4.16300 4.17851 4.18515 4.25750 4.30385 4.32443 4.53515 4.55892 4.84657 4.85394 5.10944 5.14399 5.15936 5.30369 5.42322 5.44977 5.65111 5.89125 5.90886 9.79001 9.81792 23.54140 23.60285 23.63018 23.79755 23.83869 23.85979 23.87865 23.94496 23.95174 23.95578 23.96963 23.98706 23.99094 24.00386 24.07530 24.07881 24.09469 24.10455 24.18877 24.19217 24.19696 25.92970 25.94084 26.00551 26.14423 26.65486 26.68453 49.92259 49.98912 50.03734 215.78825 215.81746 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 Cl Cl O O O 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 H 0.164288 0.277634 0.064491 -0.176242 0.049654 0.317407 0.473083 -0.257238 -0.287459 -0.597826 -1.215518 -0.618612 0.053762 -0.036119 0.722575 0.853558 -0.394139 -1.337712 -0.290344 -0.128919 -0.801869 0.342066 -0.076338 0.160268 -0.081640 -0.176279 0.159462 0.177015 0.135675 0.150903 0.150138 0.146445 0.169694 0.145337 0.193328 0.167613 0.184672 0.149364 0.113384 0.130269 0.129365 0.163823 0.129228 0.148731 0.129924 0.123096 -0.00000 -0.3454 -1.8719 -2.6948 3.2993 -164.2059 -163.9746 -163.8022 -1.0250 7.9395 -3.0556 -0.2117 0.0196 0.1920 -1.0250 7.9395 -3.0556 -28.6366 -33.5430 10.6803 7.1233 -30.6953 -2.2947 12.5182 9.3493 -29.1120 -9.8012 -7250.3669 -4688.3486 -2233.8606 4.2258 101.2697 -110.0616 -40.1854 10.5459 2.4582 -1904.6987 -1483.3604 -1102.1593 -43.4232 -11.7333 4.5370 (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A) (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(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-BELVIS18 VALENTIN 2023-05-13T00:00:00.000 0 Electronic spectrum Permethrin-cis/ CONF22 gas 0 1 Version=EM64L-G16RevC.01 State=1-A HF=-1958.6899786 RMSD=8.774e-10 PG=C01 [X(C21H20Cl2O3)] 0 -4.025781601 -1.0929105605 -0.8748522795 0 -2.1753835682 -1.2104284147 -3.1457867195 0 1.1517671428 2.5319799669 1.1499371416 0 0.4112549876 2.53189023 -0.9804724352 0 2.761983721 -2.270056998 0.622654311 0 -2.4416518658 2.6847279704 0.2882297932 0 -2.1458471791 1.2044606979 0.1740259834 0 -1.1240293499 2.1456875062 0.8399690764 0 -3.4659086441 3.0922941733 1.3327387973 0 -2.4709820325 3.5499188284 -0.9570674023 0 -1.8625541633 0.5487588559 -1.1168133331 0 0.1860404566 2.4230137368 0.2042376031 0 -2.5878424122 -0.440528185 -1.6345498759 0 2.5069694413 2.6691145529 0.6611773414 0 3.0461238382 1.3720760891 0.1018248901 0 2.6279413737 0.1558808937 0.6415166255 0 3.9767729643 1.3878005182 -0.9371976565 0 3.1225449823 -1.0377777616 0.1206449569 0 4.4897026198 0.1873889841 -1.4273450454 0 4.0622817048 -1.0308295605 -0.908860896 0 1.504507104 -2.449053283 1.1747210622 0 0.3459028424 -2.0490907546 0.5082941191 0 1.4337918789 -3.1157876613 2.394329047 0 -0.8933011582 -2.3179561223 1.0828759599 0 0.1868249852 -3.3852603279 2.9561986103 0 -0.9791933884 -2.9853371904 2.3051654346 0 -2.6726268589 0.578160897 0.8849818893 0 -1.0598753884 2.0579432394 1.9170607577 0 -3.4347056568 2.4434150864 2.2116930958 0 -3.2870346023 4.1201809946 1.663136418 0 -4.4745822154 3.0426591906 0.9116717765 0 -2.3030245091 4.5973181344 -0.6890123715 0 -1.7173717406 3.2658958371 -1.6875041881 0 -3.4570867749 3.4758228396 -1.4251006554 0 -1.011117627 0.8892928343 -1.6931808063 0 2.5472074746 3.4579516008 -0.0917983616 0 3.0687654341 2.9833293627 1.5423590644 0 1.9045772441 0.1377984657 1.4459326236 0 4.2863641182 2.3303173488 -1.3749363037 0 5.2102688977 0.1992776961 -2.2371347494 0 4.4317574129 -1.9744777931 -1.290371091 0 0.4160197481 -1.5366106466 -0.4432862569 0 2.3536059668 -3.4158498937 2.8812011588 0 -1.7944074093 -2.0173126792 0.5648318066 0 0.1300116333 -3.9066652696 3.9050314499 0 -1.9482990046 -3.1962683636 2.7420613227 Gaussian 16 13-May-2023 Gaussian 16 3-Jul-2019 EM64L-G16RevC.01 132 C1[X(C21H20Cl2O3)] RB3LYP 6-311+G(3df,2p) SP #P B3LYP 6-311+G(3df,2p) EmpiricalDispersion=gd3 geom=checkguess=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 0 371.1288999999997 AuxInfo=1/0/N:6;7;8;9;10;11;12;13;14;15;16;17;18;19;20;21;22;23;24;25;26;1;2;3;4;5;27;28;29;30;31;32;33;34;35;36;37;38;39;40;41;42;43;44;45;46/rA:46nCl0Cl0O0O0O0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:-4.0258,-1.0929,-.8749;-2.1754,-1.2104,-3.1458;1.1518,2.532,1.1499;.4113,2.5319,-.9805;2.762,-2.2701,.6227;-2.4417,2.6847,.2882;-2.1458,1.2045,.174;-1.124,2.1457,.84;-3.4659,3.0923,1.3327;-2.471,3.5499,-.9571;-1.8626,.5488,-1.1168;.186,2.423,.2042;-2.5878,-.4405,-1.6345;2.507,2.6691,.6612;3.0461,1.3721,.1018;2.6279,.1559,.6415;3.9768,1.3878,-.9372;3.1225,-1.0378,.1206;4.4897,.1874,-1.4273;4.0623,-1.0308,-.9089;1.5045,-2.4491,1.1747;.3459,-2.0491,.5083;1.4338,-3.1158,2.3943;-.8933,-2.318,1.0829;.1868,-3.3853,2.9562;-.9792,-2.9853,2.3052;-2.6726,.5782,.885;-1.0599,2.0579,1.9171;-3.4347,2.4434,2.2117;-3.287,4.1202,1.6631;-4.4746,3.0427,.9117;-2.303,4.5973,-.689;-1.7174,3.2659,-1.6875;-3.4571,3.4758,-1.4251;-1.0111,.8893,-1.6932;2.5472,3.458,-.0918;3.0688,2.9833,1.5424;1.9046,.1378,1.4459;4.2864,2.3303,-1.3749;5.2103,.1993,-2.2371;4.4318,-1.9745,-1.2904;.416,-1.5366,-.4433;2.3536,-3.4158,2.8812;-1.7944,-2.0173,.5648;.13,-3.9067,3.905;-1.9483,-3.1963,2.7421; oldchk=/home/valentin/Almacen/Insecticides/G3/Permethrin-cis/gaussian/gas/CONF2 #P B3LYP 6-311+G(3df,2p) EmpiricalDispersion=gd3 geom=check guess=read 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=1,74=-5,116=-2,124=31/1,2,3 4/5=1/1 5/5=2,38=6/2 6/7=2,8=2,9=2,10=2,28=1/1 99/5=1,9=1/99 Single Point Permethrin-cis/ CONF22 gas 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 35 35 16 16 16 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 1 34.9688527 34.9688527 15.9949146 15.9949146 15.9949146 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 3 3 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 14.2400000 14.2400000 5.6000000 5.6000000 5.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 (Enter /usr/local/gaussian/gaussian16/g16/l101.exe) 6-311+G(3df,2p) (5D, 7F) 0.10000e-02 0.10000e-05 F 1366 A 1210 A 1210 1762 1366 102 102 2645.9965227064 46 46 46 1.00e+00 60 F IExCor= 402 DFT=T Ex+Corr=B3LYP ExCW=0 ScaHFX= 0.200000 ScaDFX= 0.800000 0.720000 1.000000 0.810000 ScalE2= 1.000000 1.000000 IRadAn= 5 IRanWt= -1 IRanGd= 0 ICorTp=0 IEmpDi=131 Grimme-D3 -0.0554971365 0.000000 2.931711 0.000000 6.636762 6.597636 0.000000 5.730413 5.038277 2.255439 0.000000 7.049962 6.300917 5.092188 5.581634 0.000000 4.258260 5.199578 3.698450 3.126027 7.193021 0.000000 3.148367 4.105328 3.686322 3.103821 6.029954 1.513847 0.000000 4.674323 5.315554 2.329067 2.412521 5.886181 1.526797 1.540617 0.000000 4.764751 6.343191 4.655137 4.549439 8.248980 1.518621 2.578584 2.573574 0.000000 4.896940 5.247740 4.312769 3.056832 7.984458 1.516635 2.624168 2.648677 2.538210 0.000000 2.726385 2.703578 4.261157 3.020200 5.688394 2.621424 1.475285 2.631463 3.878224 3.066376 0.000000 5.591565 5.477307 1.356042 1.210832 5.369867 2.642029 2.631251 1.482345 3.880488 3.110999 3.074857 0.000000 1.752259 1.745481 5.529363 4.272900 6.087921 3.672285 2.484410 3.867105 4.696449 4.049235 1.331459 4.390380 0.000000 7.693442 7.174138 1.447158 2.665683 4.945901 4.962679 4.902166 3.672886 6.025392 5.307969 5.172030 2.378250 6.395104 0.000000 7.552609 6.669367 2.456116 3.075560 3.690140 5.645661 5.195178 4.305056 6.846960 6.025173 5.124261 3.048776 6.167828 1.511910 0.000000 6.937643 6.267567 2.843137 3.631799 2.429711 5.676324 4.909901 4.251588 6.799656 6.330402 4.838453 3.360652 5.721939 2.516220 1.394731 0.000000 8.378466 7.034038 3.694041 3.744827 4.157977 6.661822 6.225344 5.454438 7.965640 6.800639 5.902033 4.091967 6.850056 2.521288 1.394963 2.414397 0.000000 7.217522 6.226350 4.205541 4.615851 1.378597 6.696672 5.725944 5.355863 7.869840 7.314094 5.375836 4.539507 6.003827 3.796335 2.411139 1.393112 2.780677 0.000000 8.628898 7.023554 4.825070 4.725475 3.636833 7.564626 6.901402 6.363146 8.907766 7.744604 6.370101 5.116795 7.108365 3.801594 2.413662 2.783404 1.394392 2.401339 0.000000 8.088373 6.629069 5.040174 5.101774 2.360508 7.585483 6.686556 6.328230 8.871221 7.979293 6.135310 5.309733 6.715596 4.309710 2.797860 2.422661 2.420307 1.393928 1.391248 0.000000 6.051774 5.808836 4.993569 5.536231 1.384942 6.535576 5.260669 5.304046 7.445571 7.505778 5.057184 5.139769 5.354764 5.240639 4.257783 2.886537 5.029289 2.391824 4.757412 3.590945 0.000000 4.683909 4.518025 4.695459 4.817269 2.428858 5.497993 4.111709 4.457227 6.453174 6.436694 3.777179 4.485279 3.973174 5.191825 4.377304 3.176059 5.204314 2.980397 5.091131 4.105686 1.395155 0.000000 6.677314 6.881092 5.790106 6.658163 2.370271 7.287023 6.033913 6.053231 7.979619 8.420853 6.051687 6.085368 6.289867 6.133565 5.291135 3.898995 6.152083 3.512784 5.903792 4.708192 1.391754 2.424556 0.000000 3.891770 4.555430 5.263904 5.429575 3.684455 5.296763 3.847376 4.476199 5.995961 6.409556 3.741141 4.941030 3.712224 6.050665 5.486152 4.325947 6.444451 4.323397 6.446293 5.493770 2.403145 1.392142 2.787796 0.000000 6.138230 6.895226 6.261583 7.110585 3.649733 7.132440 5.852126 6.065324 7.611622 8.394897 6.022117 6.427234 6.119248 6.877910 6.241417 4.884310 7.232175 4.708449 7.105915 5.958288 2.405500 2.793366 1.394001 2.411462 0.000000 4.793276 5.856112 6.026303 6.570279 4.163998 6.193259 4.843268 5.338089 6.638296 7.455010 4.998010 5.917933 4.958343 6.843161 6.328107 5.064227 7.361987 5.038787 7.342115 6.290194 2.781056 2.420988 2.418153 1.395266 1.394052 0.000000 2.778583 4.437724 4.302743 4.099671 6.141348 2.201610 1.084069 2.203933 2.674070 3.502164 2.159691 3.469708 2.718999 5.590205 5.826469 5.322933 6.941929 6.064609 7.536479 7.153021 5.166858 4.019436 5.725911 3.404799 5.308023 4.193227 0.000000 5.149685 6.128543 2.388420 3.283984 5.917236 2.226040 2.223946 1.082562 2.683339 3.532397 3.482287 2.149266 4.603366 3.830556 4.541445 4.341065 5.827839 5.504838 6.744022 6.615349 5.238334 4.563832 5.763129 4.457814 5.680012 5.058835 2.419899 0.000000 4.730934 6.605986 4.708599 4.998916 7.946120 2.178095 2.710766 2.703607 1.092968 3.492013 4.140089 4.140060 4.881382 6.144798 6.899309 6.667380 8.121567 7.712893 9.007136 8.832500 7.029038 6.113688 7.391912 5.513948 6.902408 5.958996 2.412488 2.423884 0.000000 5.844951 7.264772 4.742227 4.815463 8.860495 2.159992 3.467158 3.042174 1.094399 2.802964 4.744715 4.131708 5.671303 6.056401 7.078041 7.193492 8.184775 8.370575 9.246381 9.335980 8.145690 7.252021 8.670645 6.893205 8.370864 7.498448 3.678169 3.045905 1.770386 0.000000 4.527254 6.311738 5.654500 5.264266 8.982003 2.156293 3.057139 3.469280 1.094159 2.786380 4.142099 4.754559 4.709100 6.996024 7.746465 7.671526 8.808080 8.659794 9.694430 9.632533 8.122660 7.023226 8.662195 6.449115 8.199205 7.106075 3.053114 3.693331 1.769320 1.770882 0.000000 5.948204 6.307294 4.425262 3.423194 8.633401 2.152259 3.504429 3.120626 2.775766 1.094125 4.094858 3.423586 5.133718 5.355093 6.296110 6.768390 7.056802 7.864264 8.132266 8.499500 8.223269 7.254317 9.108391 7.276533 9.121868 8.259194 4.332169 3.845187 3.786039 2.593943 3.113650 0.000000 4.998835 4.730100 4.101422 2.360023 7.486537 2.183086 2.810409 2.827551 3.494193 1.087261 2.780216 2.812848 3.807637 4.870063 5.429470 5.829089 6.042639 6.724270 6.933445 7.243792 7.157757 6.109641 8.204699 6.287567 8.332336 7.454142 3.841109 3.858023 4.339291 3.797425 3.795756 1.764273 0.000000 4.636757 5.154074 5.363133 4.006591 8.711215 2.142998 3.071749 3.513255 2.784394 1.094051 3.347429 4.127412 4.017121 6.369717 7.003499 7.233290 7.736935 8.127329 8.600306 8.781647 8.153566 6.980359 9.053069 6.814016 8.918988 7.861389 3.787915 4.350523 3.780560 3.159323 2.585234 1.769587 1.771873 0.000000 3.699593 2.806138 3.931897 2.286750 5.438831 3.032491 2.207579 2.829863 4.476092 3.122819 1.083101 2.717661 2.063473 4.592135 4.462772 4.385368 5.069425 4.908231 5.551789 5.481004 5.069298 3.914345 6.223021 4.243444 6.428344 5.567814 3.082911 3.794992 4.851506 5.184911 4.839197 4.053002 2.479328 3.569982 0.000000 8.032914 7.309137 2.084846 2.491912 5.776388 5.062708 5.212835 4.008517 6.190362 5.093071 5.381455 2.594965 6.629251 1.091263 2.153435 3.383480 2.654031 4.537370 4.031569 4.807515 6.130579 5.960987 7.115797 6.824813 7.854377 7.726377 6.041023 4.359654 6.489888 6.128354 7.105276 5.017925 4.557389 6.150574 4.671628 0.000000 8.531778 8.189470 2.008132 3.691996 5.342101 5.659214 5.677050 4.332958 6.538943 6.103848 6.108702 3.227170 7.335718 1.091250 2.161432 3.000051 3.085189 4.265380 4.319200 4.807185 5.665055 5.814510 6.371673 6.634209 7.131862 7.252091 6.259438 4.247637 6.560080 6.457802 7.569900 6.036564 5.780914 7.185758 5.612411 1.779820 0.000000 6.486127 6.288695 2.527141 3.721442 2.685275 5.168833 4.377380 3.683920 6.130577 6.046693 4.574695 3.117272 5.477743 2.717771 2.152486 1.081974 3.396441 2.149840 3.865366 3.400946 2.631618 2.844489 3.421537 3.740410 4.200419 4.336864 4.632427 3.563271 5.866021 6.546708 7.029746 6.492243 5.720309 6.937772 4.349719 3.714971 3.075984 0.000000 9.003352 7.578059 4.030056 3.900347 5.241903 6.939591 6.711198 5.849124 8.246808 6.879227 6.407010 4.394888 7.416178 2.725213 2.153427 3.397738 1.084343 3.864622 2.153192 3.400698 6.089488 6.184902 7.211421 7.380801 8.260313 8.338191 7.523619 6.284402 8.514201 8.354033 9.082411 7.002130 6.084230 7.827882 5.499195 2.437759 3.227938 4.293873 0.000000 9.424977 7.573690 5.777992 5.481862 4.502234 8.432486 7.806186 7.306190 9.817820 8.477440 7.169525 6.012335 7.847484 4.669918 3.395543 3.867419 2.150334 3.383493 1.084028 2.143677 5.690965 6.021179 6.833878 7.390027 8.065644 8.311661 8.487120 7.747689 9.978167 10.138529 10.573369 8.842456 7.595949 9.301516 6.283125 4.723698 5.159608 4.949380 2.477563 0.000000 8.513506 6.905118 6.084538 6.047134 2.556399 8.452451 7.450838 7.237463 9.742998 8.847478 6.783451 6.292686 7.193486 5.392244 3.880414 3.394756 3.411255 2.140657 2.166977 1.082836 3.856254 4.464860 4.885427 5.840079 6.167910 6.574809 7.856233 7.530343 9.677989 10.268779 10.456746 9.429073 8.088944 9.589463 6.163467 5.873618 5.870431 4.282022 4.308080 2.495527 0.000000 4.484721 3.758361 4.430927 4.103814 2.679127 5.149864 3.802329 4.192591 6.296856 5.871246 3.161377 4.018806 3.412286 4.824939 3.959173 2.988967 4.634123 2.809294 4.531604 3.710499 2.152976 1.083078 3.403193 2.157312 3.876407 3.405791 3.971938 4.546463 6.141466 7.081590 6.835467 6.714065 5.400325 6.410102 3.079605 5.441613 5.604436 2.930631 5.549835 5.405185 4.127400 0.000000 7.758903 7.854948 6.310180 7.352609 2.565277 8.181384 6.994365 6.869591 8.866816 9.302198 7.034078 6.779145 7.325466 6.479106 5.579314 4.224773 6.347432 3.723864 6.009144 4.792960 2.137227 3.395525 1.083116 3.870627 2.168294 3.409503 6.723097 6.522563 8.263400 9.491695 9.602892 9.931842 9.060444 9.990172 7.126050 7.491686 6.576735 3.858761 7.407341 6.886729 4.878348 4.282289 0.000000 2.811804 3.816398 5.451455 5.286602 4.563762 4.754432 3.264363 4.225598 5.430624 5.811024 3.068762 4.875315 2.820118 6.361896 5.927316 4.928064 6.867125 5.033211 6.951224 6.119291 3.382485 2.141293 3.869752 1.082011 3.393405 2.151838 2.758668 4.356119 5.029992 6.411165 5.736458 6.751604 5.743800 6.074444 3.763047 7.018497 7.043609 4.370736 7.722718 7.863191 6.496825 2.476563 4.952523 0.000000 6.930737 7.892945 7.077477 8.087165 4.514395 7.946142 6.724845 6.899145 8.278452 9.273932 7.002860 7.332384 7.077273 7.708009 7.129741 5.778794 8.141015 5.613141 8.012642 6.848849 3.386512 3.877501 2.146521 3.396429 1.084147 2.153776 6.090086 6.398782 7.476505 9.007361 8.857516 9.967078 9.280890 9.786660 7.459448 8.720956 7.854331 5.055090 9.168057 8.966269 7.016450 4.960527 2.496698 4.293015 0.000000 4.671414 6.217868 6.705080 7.227486 5.247525 6.391463 5.099044 5.730084 6.620827 7.711536 5.378057 6.524744 5.211319 7.653902 7.265320 6.049063 8.346084 6.102816 8.383374 7.358358 3.864810 3.401337 3.400872 2.153450 2.154142 1.083760 4.268455 5.392278 5.856341 7.515765 6.975432 8.522798 7.837981 8.009899 6.102581 8.515808 8.049699 5.257433 9.293215 9.357736 7.645810 4.300105 4.309752 2.480715 2.485264 0.000000 C21H20Cl2O3 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 0 371.1288999999997 AuxInfo=1/0/N:6;7;8;9;10;11;12;13;14;15;16;17;18;19;20;21;22;23;24;25;26;1;2;3;4;5;27;28;29;30;31;32;33;34;35;36;37;38;39;40;41;42;43;44;45;46/rA:46nCl0Cl0O0O0O0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:-3.6705,1.9749,.533;-2.2455,1.305,3.0059;.8361,-2.4845,-1.4294;-.2306,-2.6081,.554;3.3614,1.6452,.1514;-2.7936,-1.869,-1.0759;-2.1998,-.5396,-.6614;-1.3161,-1.5978,-1.3489;-3.6939,-1.857,-2.2988;-3.2216,-2.87,-.0199;-1.9973,-.1665,.7515;-.2252,-2.2779,-.6109;-2.5607,.886,1.3411;2.026,-3.0202,-.8039;2.7387,-1.9904,.0431;2.697,-.6441,-.3189;3.456,-2.3842,1.1729;3.3504,.3031,.4664;4.1336,-1.4306,1.9317;4.0799,-.0831,1.5896;2.2852,2.2061,-.5159;.9722,2.0125,-.0857;2.5687,3.0378,-1.5952;-.0628,2.6583,-.7565;1.5243,3.6842,-2.2545;.2067,3.4948,-1.8402;-2.4482,.2927,-1.31;-1.0554,-1.3747,-2.3757;-3.3733,-1.1165,-3.0359;-3.6952,-2.8388,-2.7824;-4.7221,-1.6213,-2.0082;-3.2481,-3.8767,-.4476;-2.5564,-2.8885,.8399;-4.2305,-2.6232,.3238;-1.3511,-.7856,1.3616;1.7639,-3.8944,-.2056;2.6429,-3.3332,-1.6479;2.1403,-.3329,-1.1929;3.4711,-3.4268,1.4706;4.6881,-1.736,2.8117;4.5808,.6754,2.1781;.7671,1.3673,.7596;3.6001,3.1687,-1.8987;-1.0816,2.5178,-.4203;1.7437,4.3343,-3.0939;-.6045,3.9986,-2.3526; 0.1977765 0.1436713 0.1137186 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= 1210 RedAO= T EigKep= 1.03D-06 NBF= 1210 NBsUse= 1206 1.00D-06 EigRej= 8.46D-07 NBFU= 1206 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= 1347 1336 1340 1341 1347 MxSgAt= 46 MxSgA2= 46. 1 Closed 1 1 1 -1958.69547722154 -1958.77333026549 -0.077853043942 -1958.77283141360 0.000498851889 -1958.77389165066 -0.001060237067 -1958.77391862901 -0.000026978349 -1958.77392563987 -0.000007010855 -1958.77392674498 -0.000001105115 -1958.77392680733 -0.000000062351 -1958.77392681785 -0.000000010512 -1958.77392681858 -0.000000000732 -1958.77392681854 0.000000000037 -1958.77392681885 -0.000000000307 -1958.77392682 12 1.951762931476e+03 -9.896672036179e+03 3.340194152314e+03 Using DIIS extrapolation, IDIIS= 1040. NGot= 1887436800 LenX= 1883681556 LenY= 1881814234 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. PT57465.200S 2023-05-13T04:27:37.000 -101.57278 -101.56830 -19.17866 -19.16799 -19.12072 -10.31265 -10.28894 -10.24316 -10.24175 -10.24036 -10.21620 -10.21089 -10.20627 -10.20096 -10.19505 -10.18378 -10.18301 -10.18097 -10.17960 -10.17909 -10.17855 -10.17783 -10.17734 -10.17724 -10.17712 -10.16799 -9.48733 -9.48272 -7.25131 -7.24693 -7.24253 -7.24210 -7.23774 -7.23749 -1.11665 -1.08496 -1.03097 -0.92240 -0.89918 -0.87296 -0.85940 -0.84138 -0.79394 -0.77728 -0.76747 -0.75732 -0.75123 -0.73794 -0.71904 -0.70603 -0.66135 -0.64348 -0.62339 -0.61300 -0.59658 -0.58832 -0.56462 -0.55489 -0.55146 -0.52546 -0.51627 -0.50418 -0.49795 -0.49160 -0.48284 -0.48092 -0.47496 -0.47322 -0.46321 -0.45343 -0.44657 -0.44483 -0.43956 -0.43510 -0.42684 -0.41899 -0.41274 -0.41099 -0.40527 -0.40473 -0.39620 -0.39113 -0.38257 -0.37939 -0.37121 -0.36428 -0.36373 -0.36089 -0.34993 -0.34774 -0.33779 -0.33371 -0.32912 -0.32261 -0.31997 -0.30517 -0.29229 -0.26880 -0.26164 -0.25763 -0.25098 -0.23038 -0.03462 -0.03279 -0.02380 -0.02118 -0.01666 -0.01174 -0.00662 -0.00485 0.00492 0.00653 0.01223 0.01687 0.01796 0.02249 0.02547 0.02980 0.03415 0.03719 0.04198 0.04276 0.04754 0.04796 0.05526 0.05618 0.06036 0.06227 0.06813 0.07023 0.07388 0.07554 0.07903 0.08427 0.08473 0.09005 0.09161 0.09584 0.09978 0.10349 0.10481 0.10983 0.11157 0.11236 0.11563 0.11776 0.11799 0.11971 0.12405 0.12687 0.12917 0.12993 0.13323 0.13425 0.13896 0.13994 0.14121 0.14154 0.14734 0.15058 0.15375 0.15482 0.15817 0.16068 0.16260 0.16541 0.16945 0.17112 0.17245 0.17464 0.17716 0.17890 0.18065 0.18335 0.18472 0.18901 0.19038 0.19325 0.19471 0.19792 0.19896 0.20141 0.20300 0.20849 0.20917 0.21003 0.21530 0.21690 0.22056 0.22255 0.22419 0.22687 0.22796 0.23161 0.23388 0.23519 0.23796 0.23884 0.24103 0.24302 0.24490 0.24718 0.25052 0.25168 0.25439 0.25509 0.25572 0.26241 0.26327 0.26436 0.26702 0.26807 0.26976 0.27241 0.27474 0.27950 0.28318 0.28527 0.28759 0.29134 0.29501 0.29935 0.30126 0.30404 0.30794 0.30958 0.31437 0.31659 0.31811 0.32163 0.32464 0.32605 0.32878 0.33382 0.33545 0.33731 0.34195 0.34437 0.34604 0.34900 0.35000 0.35605 0.35716 0.35740 0.36377 0.36586 0.36776 0.37179 0.37337 0.37736 0.38079 0.38426 0.38700 0.38936 0.39187 0.39369 0.39624 0.40123 0.40454 0.40601 0.40928 0.41653 0.42188 0.42325 0.42799 0.43002 0.43474 0.43542 0.43750 0.44362 0.44684 0.44897 0.45065 0.45506 0.45854 0.46061 0.46457 0.46665 0.46846 0.47295 0.47515 0.48108 0.48233 0.48648 0.49233 0.49358 0.50014 0.50212 0.50664 0.50862 0.51208 0.52022 0.52064 0.52374 0.52900 0.53012 0.53420 0.53616 0.53977 0.54364 0.54690 0.55063 0.55208 0.55530 0.55755 0.56177 0.56218 0.56340 0.56612 0.56809 0.57304 0.57382 0.57455 0.57848 0.58204 0.58445 0.58914 0.59214 0.59453 0.59956 0.60179 0.60659 0.60729 0.61078 0.61198 0.61336 0.61864 0.62302 0.62320 0.62603 0.62739 0.63171 0.63858 0.63965 0.64381 0.64584 0.64914 0.65116 0.65629 0.65914 0.66297 0.66735 0.66802 0.67064 0.67814 0.67939 0.68807 0.69078 0.69691 0.69790 0.70503 0.70655 0.70908 0.71647 0.71732 0.72386 0.72897 0.73335 0.73600 0.73831 0.74218 0.74568 0.74663 0.74933 0.75346 0.75537 0.75902 0.76042 0.76224 0.76932 0.77226 0.78270 0.78385 0.78687 0.79395 0.79531 0.80239 0.80606 0.80901 0.81224 0.81388 0.81849 0.82466 0.82995 0.83378 0.83647 0.84042 0.84639 0.85100 0.85807 0.86208 0.86582 0.86821 0.87190 0.88256 0.88924 0.89146 0.89431 0.90796 0.90871 0.91644 0.91927 0.92206 0.92505 0.93034 0.94355 0.94534 0.95497 0.96071 0.96309 0.96913 0.97397 0.97928 0.98102 0.98632 0.99463 0.99931 1.00621 1.00870 1.01652 1.01772 1.02805 1.03700 1.03749 1.04264 1.05490 1.05635 1.06336 1.06763 1.06815 1.07801 1.08452 1.08815 1.08899 1.09226 1.10500 1.10931 1.11201 1.11385 1.11994 1.12366 1.12578 1.12790 1.13490 1.13642 1.13876 1.14400 1.14857 1.15751 1.16005 1.16107 1.16444 1.16699 1.16831 1.17437 1.17715 1.17822 1.18230 1.18515 1.18885 1.19178 1.19489 1.19927 1.20115 1.20595 1.20787 1.20988 1.21912 1.22151 1.22431 1.22694 1.22967 1.23633 1.23771 1.23868 1.24525 1.24750 1.24916 1.25599 1.25795 1.26329 1.26586 1.26783 1.27317 1.27624 1.28063 1.28698 1.29264 1.29522 1.29714 1.30235 1.30711 1.30957 1.31374 1.31844 1.32224 1.32443 1.33827 1.34087 1.34241 1.34359 1.34535 1.35334 1.36047 1.36313 1.36546 1.36865 1.37318 1.37744 1.38068 1.38441 1.38672 1.38855 1.39349 1.39648 1.39813 1.40092 1.40571 1.40955 1.41204 1.41626 1.41758 1.42217 1.42685 1.43492 1.43618 1.44028 1.44318 1.45025 1.45244 1.45905 1.46052 1.46821 1.47035 1.47438 1.47641 1.47822 1.48796 1.49313 1.49547 1.50115 1.50165 1.50457 1.51019 1.51361 1.51890 1.52268 1.52477 1.53487 1.53722 1.54238 1.54472 1.55476 1.55823 1.56305 1.57462 1.57576 1.58442 1.59024 1.59526 1.60049 1.61051 1.61786 1.62045 1.62678 1.63051 1.63212 1.64364 1.64941 1.65527 1.65945 1.66881 1.67281 1.68351 1.68668 1.69242 1.70135 1.70594 1.72062 1.72673 1.73224 1.74306 1.74849 1.75316 1.76151 1.76842 1.77207 1.77806 1.78545 1.79450 1.79706 1.79971 1.80880 1.82088 1.83167 1.83591 1.84376 1.84781 1.85990 1.86871 1.87436 1.87829 1.89030 1.89957 1.90719 1.90968 1.91504 1.92688 1.94146 1.94626 1.95272 1.96486 1.96858 1.97979 1.98880 1.99109 1.99710 1.99827 2.01614 2.02404 2.02701 2.03528 2.04281 2.04802 2.05471 2.05774 2.06190 2.06646 2.07644 2.07787 2.08151 2.08583 2.10328 2.10979 2.11289 2.11581 2.12624 2.13050 2.13348 2.13631 2.14137 2.15241 2.15851 2.16112 2.16880 2.17380 2.18365 2.20030 2.20394 2.21183 2.22102 2.22766 2.23048 2.23729 2.24915 2.26224 2.27263 2.27705 2.29292 2.30206 2.30886 2.31801 2.32705 2.33411 2.34598 2.34854 2.35868 2.36748 2.38359 2.38870 2.39566 2.40190 2.40931 2.41970 2.42583 2.42878 2.43166 2.44503 2.45994 2.46360 2.46679 2.46952 2.48053 2.48598 2.48991 2.50531 2.51871 2.52938 2.53095 2.55244 2.56581 2.57580 2.61036 2.61712 2.62862 2.63037 2.63863 2.66135 2.67496 2.68426 2.69774 2.71116 2.72029 2.73912 2.75282 2.76147 2.76709 2.77610 2.78213 2.79702 2.80361 2.80526 2.80874 2.81716 2.82091 2.82672 2.83496 2.84231 2.84575 2.85462 2.86048 2.86369 2.86471 2.87081 2.88213 2.88761 2.89058 2.89163 2.89560 2.90980 2.91635 2.91940 2.92364 2.92808 2.93770 2.93972 2.94524 2.95503 2.95574 2.95889 2.96282 2.97206 2.98249 2.98870 2.99435 3.00351 3.00627 3.00856 3.01390 3.01760 3.02392 3.02895 3.03658 3.05644 3.06041 3.06587 3.06654 3.07000 3.08053 3.08342 3.08928 3.10030 3.10395 3.10900 3.11321 3.11772 3.12656 3.13114 3.14117 3.15120 3.15514 3.16414 3.17737 3.18884 3.19009 3.19768 3.21217 3.21390 3.22157 3.23176 3.23892 3.24266 3.24832 3.25444 3.25790 3.26342 3.26681 3.26808 3.27543 3.28192 3.29224 3.29321 3.29933 3.30409 3.30835 3.31212 3.32261 3.32863 3.33166 3.33940 3.34733 3.35969 3.36800 3.37220 3.38402 3.38777 3.39387 3.40301 3.40855 3.41326 3.41967 3.42978 3.43239 3.44111 3.45400 3.45759 3.46553 3.48004 3.49086 3.49516 3.50547 3.51382 3.52065 3.52433 3.53396 3.54281 3.55084 3.55467 3.56128 3.56200 3.57181 3.57791 3.58867 3.59510 3.60206 3.60452 3.61327 3.61895 3.62988 3.63796 3.65107 3.66056 3.66193 3.66568 3.67235 3.67513 3.68188 3.69258 3.70124 3.70309 3.71632 3.72497 3.73712 3.74068 3.75872 3.76148 3.76446 3.77045 3.77750 3.78996 3.79905 3.80187 3.80525 3.80858 3.81907 3.82080 3.83378 3.84822 3.86183 3.87755 3.88430 3.89061 3.90642 3.90732 3.91588 3.94175 3.95015 3.96174 3.96639 3.97854 3.99303 4.00590 4.01221 4.02007 4.02704 4.04924 4.06326 4.10217 4.11658 4.12367 4.15762 4.17000 4.18076 4.18731 4.19222 4.19565 4.20351 4.21343 4.22080 4.22970 4.24734 4.26758 4.27747 4.28252 4.28755 4.29784 4.30330 4.31763 4.32675 4.32790 4.33756 4.34478 4.34804 4.35234 4.35510 4.36014 4.36874 4.37862 4.38004 4.38588 4.39415 4.39903 4.40214 4.41321 4.42467 4.43693 4.45318 4.45892 4.46572 4.47194 4.48300 4.48568 4.49472 4.50241 4.51716 4.52538 4.53144 4.54037 4.54160 4.54658 4.55455 4.56058 4.56170 4.57483 4.57653 4.58262 4.59929 4.60778 4.61169 4.62186 4.62945 4.63899 4.64484 4.65841 4.66300 4.67668 4.70420 4.71545 4.72736 4.74320 4.74490 4.76244 4.77611 4.78078 4.78545 4.83269 4.84285 4.85094 4.85372 4.86667 4.87534 4.89712 4.92958 4.95775 4.97800 4.98826 4.99728 5.01489 5.07186 5.12397 5.12949 5.17096 5.18292 5.18485 5.18957 5.20472 5.21935 5.22510 5.24965 5.25871 5.28042 5.28996 5.30688 5.31194 5.31901 5.33184 5.35283 5.37072 5.38659 5.42121 5.47478 5.48195 5.49146 5.49918 5.51205 5.52154 5.53659 5.55355 5.57069 5.58760 5.60246 5.62723 5.64251 5.68205 5.69929 5.74339 5.75945 5.76972 5.79611 5.80544 5.81269 5.81739 5.83173 5.85210 5.86575 5.88224 5.89683 5.92058 5.93183 5.93862 5.94503 5.96165 5.98293 5.99179 6.00277 6.02120 6.03860 6.04362 6.13464 6.15726 6.20989 6.22776 6.37150 6.42133 6.48838 6.54305 6.66333 6.69392 6.78522 6.87072 6.96404 7.04933 7.09486 7.09778 7.11655 7.12995 7.13915 7.16239 7.17394 7.18744 7.19252 7.19849 7.20632 7.22021 7.23093 7.24185 7.24603 7.26902 7.27450 7.29219 7.29411 7.30925 7.31865 7.32856 7.33242 7.33766 7.35027 7.35223 7.35964 7.37457 7.39623 7.41419 7.42287 7.44064 7.44984 7.45265 7.46212 7.46649 7.46969 7.48061 7.48749 7.50104 7.50550 7.52800 7.53875 7.55920 7.57773 7.59372 7.61365 7.63068 7.64238 7.64530 7.66697 7.67944 7.68061 7.70004 7.70642 7.72046 7.74712 7.79750 7.82514 7.83293 7.86889 7.87520 7.90828 7.92124 7.93433 7.94067 7.94875 7.95387 7.96573 7.97396 7.98041 7.99027 8.02336 8.02544 8.02946 8.05331 8.09538 8.09969 8.11077 8.14321 8.15108 8.18377 8.19601 8.21107 8.22745 8.27816 8.29393 8.30122 8.30870 8.36390 8.38331 8.42037 8.46136 8.47710 8.51306 8.55444 8.58491 8.61653 8.66779 8.70060 8.72847 8.76188 9.03043 9.38431 9.40391 10.05426 10.07423 14.44034 14.46466 14.47367 14.48451 14.49250 14.50136 14.57985 14.63491 14.70902 14.81634 14.95955 15.08404 15.09303 15.12230 15.22478 23.97432 24.05136 24.06823 24.31672 24.41637 24.43615 24.55697 24.65911 24.73089 24.96785 24.97382 24.98408 24.99547 25.17789 25.38324 25.39352 25.40895 25.41595 25.71031 25.80424 25.80918 26.08262 26.21421 26.64336 26.75089 27.88115 28.40926 50.23729 50.30298 50.52562 216.07770 216.10368 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 Cl Cl O O O 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 H -0.774149 -0.649492 -0.487925 -0.672284 -0.771855 0.461145 0.420733 -0.418050 -0.322824 -0.536347 0.517919 0.316523 0.343131 0.192911 1.338625 -0.563538 -0.869926 0.295131 -0.100296 -0.330001 0.504835 0.022262 -0.398822 -0.030757 -0.058197 -0.534257 0.138995 0.142658 0.145072 0.144843 0.149196 0.140738 0.183036 0.139898 0.177489 0.149200 0.167536 0.153499 0.127086 0.132650 0.142480 0.183504 0.145781 0.277775 0.131561 0.132509 -0.00000 -0.3240 -1.7779 -2.6455 3.2038 -163.5680 -163.7880 -163.4824 -0.7639 7.4987 -2.5822 0.0448 -0.1752 0.1304 -0.7639 7.4987 -2.5822 -29.1088 -31.7353 11.1250 6.5509 -28.5205 -1.6735 11.3881 8.4828 -27.8103 -9.2453 -7226.3656 -4686.1707 -2232.2763 4.3009 90.2039 -105.9197 -33.2701 5.3864 6.2237 -1903.4660 -1484.0430 -1103.0116 -38.6242 -12.6879 2.9904 (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A) (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(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-BELVIS18 VALENTIN 2023-05-13T00:00:00.000 0 Single Point Permethrin-cis/ CONF22 gas 0 1 Version=EM64L-G16RevC.01 State=1-A HF=-1958.7739268 RMSD=7.504e-09 Dipole=-0.0831709,0.8851983,0.8934829 Quadrupole=1.7845505,-0.572396,-1.2121545,-0.5157497,-5.6596464,-0.5617939 PG=C01 [X(C21H20Cl2O3)] 0 -4.025781601 -1.0929105605 -0.8748522795 0 -2.1753835682 -1.2104284147 -3.1457867195 0 1.1517671428 2.5319799669 1.1499371416 0 0.4112549876 2.53189023 -0.9804724352 0 2.761983721 -2.270056998 0.622654311 0 -2.4416518658 2.6847279704 0.2882297932 0 -2.1458471791 1.2044606979 0.1740259834 0 -1.1240293499 2.1456875062 0.8399690764 0 -3.4659086441 3.0922941733 1.3327387973 0 -2.4709820325 3.5499188284 -0.9570674023 0 -1.8625541633 0.5487588559 -1.1168133331 0 0.1860404566 2.4230137368 0.2042376031 0 -2.5878424122 -0.440528185 -1.6345498759 0 2.5069694413 2.6691145529 0.6611773414 0 3.0461238382 1.3720760891 0.1018248901 0 2.6279413737 0.1558808937 0.6415166255 0 3.9767729643 1.3878005182 -0.9371976565 0 3.1225449823 -1.0377777616 0.1206449569 0 4.4897026198 0.1873889841 -1.4273450454 0 4.0622817048 -1.0308295605 -0.908860896 0 1.504507104 -2.449053283 1.1747210622 0 0.3459028424 -2.0490907546 0.5082941191 0 1.4337918789 -3.1157876613 2.394329047 0 -0.8933011582 -2.3179561223 1.0828759599 0 0.1868249852 -3.3852603279 2.9561986103 0 -0.9791933884 -2.9853371904 2.3051654346 0 -2.6726268589 0.578160897 0.8849818893 0 -1.0598753884 2.0579432394 1.9170607577 0 -3.4347056568 2.4434150864 2.2116930958 0 -3.2870346023 4.1201809946 1.663136418 0 -4.4745822154 3.0426591906 0.9116717765 0 -2.3030245091 4.5973181344 -0.6890123715 0 -1.7173717406 3.2658958371 -1.6875041881 0 -3.4570867749 3.4758228396 -1.4251006554 0 -1.011117627 0.8892928343 -1.6931808063 0 2.5472074746 3.4579516008 -0.0917983616 0 3.0687654341 2.9833293627 1.5423590644 0 1.9045772441 0.1377984657 1.4459326236 0 4.2863641182 2.3303173488 -1.3749363037 0 5.2102688977 0.1992776961 -2.2371347494 0 4.4317574129 -1.9744777931 -1.290371091 0 0.4160197481 -1.5366106466 -0.4432862569 0 2.3536059668 -3.4158498937 2.8812011588 0 -1.7944074093 -2.0173126792 0.5648318066 0 0.1300116333 -3.9066652696 3.9050314499 0 -1.9482990046 -3.1962683636 2.7420613227