Gaussian 16 GINC-CIBELES05 APULGAR Optimization Cypermethrin-theta CONF41 water EM64L-G16RevC.01 9-Oct-2024 Gaussian 16 3-Jul-2019 EM64L-G16RevC.01 47 47 108 108 746 (5D, 7F) 6-311+G(d,p) 135 135 C1[X(C22H19Cl2NO3)] C1[X(C22H19Cl2NO3)] RB3LYP 6-311+G(d,p) FOpt #P B3LYP 6-311+G(d,p) EmpiricalDispersion=gd3 scrf=(smd,Solvent=Water) opt freq 397.1462999999997 0 1 AuxInfo=1/0/N:7;8;9;10;11;12;13;14;15;16;17;18;19;20;21;22;23;24;25;26;27;28;1;2;6;3;4;5;29;30;31;32;33;34;35;36;37;38;39;40;41;42;43;44;45;46;47/rA:47nCl0Cl0O0O0O0N0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:2.4143,.2667,2.302;4.0351,-1.8941,3.3029;-1.6159,-1.3404,.0849;-2.2245,-3.4695,-.1802;-1.1075,3.6046,-.8938;-3.6024,-1.3848,-2.6579;1.081,-2.57,-.9265;1.1353,-1.934,.4357;.0747,-2.9731,.1348;.6612,-1.7005,-2.0875;2.0928,-3.6196,-1.3153;2.1898,-2.27,1.3995;-1.3576,-2.6495,.0013;2.7877,-1.4134,2.2174;-2.9401,-.8931,-.1734;-2.9541,.5921,.0817;-3.2999,-1.1873,-1.5657;-2.0428,1.3986,-.5907;-3.8305,1.1294,1.0107;-1.9845,2.7496,-.2889;-3.7878,2.4936,1.271;-2.8617,3.3039,.6378;.0913,3.1335,-1.3788;.9135,2.3067,-.6224;.4805,3.5648,-2.6372;2.1289,1.8973,-1.1507;1.7081,3.1616,-3.1457;2.5323,2.3224,-2.4101;.7916,-.9069,.462;.2302,-3.9634,.5485;.125,-2.2888,-2.8345;1.5474,-1.2855,-2.5703;.0303,-.8621,-1.7985;1.7203,-4.2031,-2.1585;2.3179,-4.3195,-.512;3.0275,-3.1496,-1.6258;2.5154,-3.3018,1.4555;-3.6635,-1.3969,.4743;-1.3793,.9696,-1.3321;-4.5335,.4924,1.5311;-4.4684,2.9258,1.9919;-2.8139,4.3625,.8586;.6122,1.9802,.3651;-.1688,4.2135,-3.2113;2.7695,1.2492,-.567;2.0139,3.5019,-4.1262;3.4844,2.0037,-2.8125; g16 /usr/local/gaussian/gaussian16/g16/l1.exe "/temporal/apulgar/opt-b3lyp-pople.com-6500855/Gau-515161.inp" -scrdir="/temporal/apulgar/opt-b3lyp-pople.com-6500855/" chk=opt-b3lyp-pople.chk #P B3LYP 6-311+G(d,p) EmpiricalDispersion=gd3 scrf=(smd,Solvent=Water) 1/18=20,19=15,26=3,38=1/1,3 2/9=110,12=2,17=6,18=5,40=1/2 3/5=4,6=6,7=111,11=2,25=1,30=1,70=32201,71=1,72=1,74=-5,124=31/1,2,3 4//1 5/5=2,38=5,53=1/2 6/7=2,8=2,9=2,10=2,28=1/1 7//1,2,3,16 1/18=20,19=15,26=3/3(2) 2/9=110/2 99//99 2/9=110/2 3/5=4,6=6,7=111,11=2,25=1,30=1,70=32205,71=1,72=1,74=-5,124=31/1,2,3 4/5=5,16=3,69=1/1 5/5=2,38=5,53=1/2 7//1,2,3,16 1/18=20,19=15,26=3/3(-5) 2/9=110/2 6/7=2,8=2,9=2,10=2,19=2,28=1/1 99/9=1/99 Optimization Cypermethrin-theta CONF41 water 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 35 35 16 16 16 14 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 34.9688527 34.9688527 15.9949146 15.9949146 15.9949146 14.0030740 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 3 3 0 0 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 (Enter /usr/local/gaussian/gaussian16/g16/l101.exe) Berny optimization. R1 R2 R3 R4 R5 R6 R7 R8 R9 R10 R11 R12 R13 R14 R15 R16 R17 R18 R19 R20 R21 R22 R23 R24 R25 R26 R27 R28 R29 R30 R31 R32 R33 R34 R35 R36 R37 R38 R39 R40 R41 R42 R43 R44 R45 R46 R47 R48 R49 1 2 3 3 4 5 5 6 7 7 7 7 8 8 8 9 9 10 10 10 11 11 11 12 12 15 15 15 16 16 18 18 19 19 20 21 21 22 23 23 24 24 25 25 26 26 27 27 28 14 14 13 15 13 20 23 17 8 9 10 11 9 12 29 13 30 31 32 33 34 35 36 14 37 16 17 38 18 19 20 39 21 40 22 22 41 42 24 25 26 43 27 44 28 45 28 46 47 1.7232 1.7221 1.337 1.4214 1.207 1.366 1.3763 1.1504 1.5044 1.5171 1.51 1.5089 1.515 1.4675 1.0834 1.4744 1.0844 1.0915 1.0912 1.0884 1.091 1.089 1.0913 1.3267 1.0835 1.5071 1.4678 1.0939 1.3903 1.3855 1.3856 1.0835 1.3894 1.0821 1.3912 1.3839 1.0815 1.0824 1.3898 1.3861 1.387 1.0829 1.3885 1.0825 1.3891 1.0821 1.3873 1.082 1.0816 estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2 A1 A2 A3 A4 A5 A6 A7 A8 A9 A10 A11 A12 A13 A14 A15 A16 A17 A18 A19 A20 A21 A22 A23 A24 A25 A26 A27 A28 A29 A30 A31 A32 A33 A34 A35 A36 A37 A38 A39 A40 A41 A42 A43 A44 A45 A46 A47 A48 A49 A50 A51 A52 A53 A54 A55 A56 A57 A58 A59 A60 A61 A62 A63 A64 A65 A66 A67 A68 A69 A70 A71 A72 A73 A74 A75 A76 A77 A78 A79 A80 13 20 8 8 9 9 10 7 7 9 9 12 7 7 8 8 13 7 7 7 31 31 32 7 7 7 34 34 35 8 8 14 3 3 4 1 1 2 3 3 3 16 16 17 15 15 18 16 16 20 16 16 21 5 5 18 19 19 22 20 20 21 5 5 24 23 23 26 23 23 27 24 24 28 25 25 28 26 26 27 3 5 7 7 7 7 7 8 8 8 8 8 9 9 9 9 9 10 10 10 10 10 10 11 11 11 11 11 11 12 12 12 13 13 13 14 14 14 15 15 15 15 15 15 16 16 16 18 18 18 19 19 19 20 20 20 21 21 21 22 22 22 23 23 23 24 24 24 25 25 25 26 26 26 27 27 27 28 28 28 15 23 10 11 10 11 11 12 29 12 29 29 13 30 13 30 30 31 32 33 32 33 33 34 35 36 35 36 36 14 37 37 4 9 9 2 12 12 16 17 38 17 38 38 18 19 19 20 39 39 21 40 40 18 22 22 22 41 41 21 42 42 24 25 25 26 43 43 27 44 44 28 45 45 28 46 46 27 47 47 118.473 120.0702 117.5693 120.215 120.4272 116.1214 112.8836 121.5874 114.2868 118.455 115.6591 115.4064 121.5122 114.4757 123.1989 116.7526 111.9822 110.6344 109.473 113.6122 107.5276 108.1907 107.1726 110.01 113.3048 110.3659 107.2779 107.6373 108.038 125.5137 117.8999 116.5864 122.4025 113.3833 124.2097 113.4632 124.2016 122.3346 106.7399 109.7308 111.3215 110.8404 110.3378 107.8941 118.9266 120.1025 120.926 119.1994 120.1787 120.6175 119.1392 120.3385 120.5208 122.7419 116.7738 120.4629 120.6437 119.8646 119.4768 119.5696 119.8435 120.5868 121.8097 117.2592 120.8708 119.1239 120.7363 120.1394 119.363 119.9649 120.6715 120.6272 119.3461 120.0233 120.4473 119.366 120.1851 119.5566 120.1823 120.2607 estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2 A81 A82 6 6 17 17 15 15 7 7 -1 -2 181.5426 estimate D2E/DX2|estimate D2E/DX2 178.7633 D1 D2 D3 D4 D5 D6 D7 D8 D9 D10 D11 D12 D13 D14 D15 D16 D17 D18 D19 D20 D21 D22 D23 D24 D25 D26 D27 D28 D29 D30 D31 D32 D33 D34 D35 D36 D37 D38 D39 D40 D41 D42 D43 D44 D45 D46 D47 D48 D49 D50 D51 D52 D53 D54 D55 D56 D57 D58 D59 D60 D61 D62 D63 D64 D65 D66 D67 D68 D69 D70 D71 D72 D73 D74 D75 D76 D77 D78 D79 D80 D81 D82 D83 D84 D85 D86 D87 D88 D89 D90 D91 D92 D93 D94 D95 D96 D97 D98 D99 D100 D101 D102 D103 D104 D105 D106 D107 D108 D109 15 15 13 13 13 23 23 20 20 10 10 11 11 10 10 11 11 8 8 8 9 9 9 11 11 11 8 8 8 9 9 9 10 10 10 12 12 29 29 7 7 9 9 29 29 7 7 8 8 30 30 8 8 37 37 3 3 17 17 38 38 15 15 19 19 15 15 18 18 16 16 39 39 16 16 40 40 5 5 18 18 19 19 41 41 5 5 25 25 5 5 24 24 23 23 43 43 23 23 44 44 24 24 45 45 25 25 46 46 3 3 3 3 3 5 5 5 5 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 8 8 8 8 8 8 8 8 8 8 9 9 9 9 9 9 12 12 12 12 15 15 15 15 15 15 16 16 16 16 16 16 16 16 18 18 18 18 19 19 19 19 20 20 20 20 21 21 21 21 23 23 23 23 23 23 23 23 24 24 24 24 25 25 25 25 26 26 26 26 27 27 27 27 13 13 15 15 15 20 20 23 23 8 8 8 8 9 9 9 9 10 10 10 10 10 10 10 10 10 11 11 11 11 11 11 11 11 11 9 9 9 9 12 12 12 12 12 12 13 13 13 13 13 13 14 14 14 14 16 16 16 16 16 16 18 18 18 18 19 19 19 19 20 20 20 20 21 21 21 21 22 22 22 22 22 22 22 22 24 24 24 24 25 25 25 25 26 26 26 26 27 27 27 27 28 28 28 28 28 28 28 28 4 9 16 17 38 18 22 24 25 12 29 12 29 13 30 13 30 31 32 33 31 32 33 31 32 33 34 35 36 34 35 36 34 35 36 13 30 13 30 14 37 14 37 14 37 3 4 3 4 3 4 1 2 1 2 18 19 18 19 18 19 20 39 20 39 21 40 21 40 5 22 5 22 22 41 22 41 21 42 21 42 20 42 20 42 26 43 26 43 27 44 27 44 28 45 28 45 28 46 28 46 27 47 27 47 26 47 26 47 -5.9793 173.2884 176.325 -63.5057 55.861 -27.6484 154.0278 -47.4155 135.385 -141.8834 4.2181 2.3782 148.4797 6.2127 145.81 -135.9985 3.5989 -147.8155 93.8589 -25.8998 -77.9284 163.746 43.9873 65.4043 -52.9214 -172.68 160.6438 40.575 -80.7268 91.4555 -28.6133 -149.9151 -53.5501 -173.6188 65.0794 138.0153 -8.1674 -5.2791 -151.4618 141.5711 -38.3932 -147.564 32.4717 -4.1798 175.8559 -67.7966 111.4557 4.1167 -176.631 151.7093 -29.0384 0.5906 -179.0991 -179.4447 0.8656 55.0938 -122.4946 -64.3597 118.0519 176.1861 -1.4022 -175.3248 3.9112 2.243 -178.521 177.3116 -2.2414 -0.2277 -179.7807 179.2559 -2.4803 0.0234 178.2872 -1.5825 179.8317 177.9697 -0.6161 179.0768 -1.023 0.7125 -179.3874 1.3452 -178.5543 179.9364 0.037 -178.053 2.1988 -0.9535 179.2983 177.3187 -2.4053 0.0914 -179.6327 0.9897 -179.676 -179.2606 0.0737 0.7495 -179.7183 -179.5285 0.0037 -0.1668 179.6132 -179.4966 0.2834 -0.713 179.5073 179.7587 -0.0211 estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|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 774 A 746 A 1194 774 2899.0997565470 47 1.00e+00 60 F IExCor= 402 DFT=T Ex+Corr=B3LYP ExCW=0 ScaHFX= 0.200000 ScaDFX= 0.800000 0.720000 1.000000 0.810000 ScalE2= 1.000000 1.000000 IRadAn= 5 IRanWt= -1 IRanGd= 0 ICorTp=0 IEmpDi=131 NPDir=0 NMtPBC= 1 NCelOv= 1 NCel= 1 NClECP= 1 NCelD= 1 NCelK= 1 NCelE2= 1 NClLst= 1 CellRange= 0.0. One-electron integrals computed using PRISM. One-electron integral symmetry used in STVInt NBasis= 746 RedAO= T EigKep= 1.10D-06 NBF= 746 NBsUse= 744 1.00D-06 EigRej= 7.49D-07 NBFU= 744 Berny optimization. local minimum Step number 32 out of a maximum of 250 All quantities printed in internal units (Hartrees-Bohrs-Radians) 0.00111 0.00161 0.00210 0.00444 0.00680 0.00829 0.01562 0.01755 0.01794 0.01946 0.02081 0.02144 0.02222 0.02232 0.02238 0.02247 0.02248 0.02250 0.02254 0.02257 0.02260 0.02262 0.02265 0.02278 0.02288 0.02313 0.02368 0.02380 0.02460 0.03050 0.03362 0.03487 0.04061 0.04550 0.04805 0.05549 0.05575 0.05918 0.05928 0.06326 0.06941 0.07883 0.08198 0.09434 0.10019 0.11439 0.11581 0.12739 0.15622 0.15815 0.15895 0.15960 0.15985 0.15994 0.15999 0.16000 0.16001 0.16018 0.16026 0.16032 0.16040 0.16121 0.16232 0.16259 0.17098 0.17340 0.18086 0.19524 0.20751 0.21952 0.22053 0.22172 0.23034 0.23131 0.23484 0.23877 0.24082 0.24485 0.24920 0.25026 0.25198 0.25743 0.27190 0.28866 0.29372 0.30346 0.31464 0.31770 0.32076 0.32809 0.33301 0.34463 0.34614 0.34663 0.34700 0.34721 0.34913 0.35016 0.35444 0.35470 0.35599 0.35657 0.35696 0.35705 0.35725 0.35739 0.35754 0.35770 0.35805 0.35818 0.35931 0.36079 0.37468 0.39723 0.41456 0.42649 0.43137 0.43342 0.44814 0.46645 0.47133 0.47585 0.47755 0.47845 0.47887 0.48234 0.49303 0.50661 0.56192 0.58280 0.61514 0.68254 1.00002 1.04880 1.34254 -1.51579439e-09 R1 R2 R3 R4 R5 R6 R7 R8 R9 R10 R11 R12 R13 R14 R15 R16 R17 R18 R19 R20 R21 R22 R23 R24 R25 R26 R27 R28 R29 R30 R31 R32 R33 R34 R35 R36 R37 R38 R39 R40 R41 R42 R43 R44 R45 R46 R47 R48 R49 A1 A2 A3 A4 A5 A6 A7 A8 A9 A10 A11 A12 A13 A14 A15 A16 A17 A18 A19 A20 A21 A22 A23 A24 A25 A26 A27 A28 A29 A30 A31 A32 A33 A34 A35 A36 A37 A38 A39 A40 A41 A42 A43 A44 A45 A46 A47 A48 A49 A50 A51 A52 A53 A54 A55 A56 A57 A58 A59 A60 A61 A62 A63 A64 A65 A66 A67 A68 A69 A70 A71 A72 A73 A74 A75 A76 A77 A78 A79 A80 A81 A82 D1 D2 D3 D4 D5 D6 D7 D8 D9 D10 D11 D12 D13 D14 D15 D16 D17 D18 D19 D20 D21 D22 D23 D24 D25 D26 D27 D28 D29 D30 D31 D32 D33 D34 D35 D36 D37 D38 D39 D40 D41 D42 D43 D44 D45 D46 D47 D48 D49 D50 D51 D52 D53 D54 D55 D56 D57 D58 D59 D60 D61 D62 D63 D64 D65 D66 D67 D68 D69 D70 D71 D72 D73 D74 D75 D76 D77 D78 D79 D80 D81 D82 D83 D84 D85 D86 D87 D88 D89 D90 D91 D92 D93 D94 D95 D96 D97 D98 D99 D100 D101 D102 D103 D104 D105 D106 D107 D108 D109 3.30864 3.31300 2.55629 2.72932 2.30087 2.62209 2.64766 2.18097 2.85358 2.90446 2.86598 2.86600 2.90332 2.77954 2.04445 2.78655 2.04587 2.06771 2.06619 2.05598 2.06676 2.06145 2.06815 2.51612 2.04821 2.86485 2.78375 2.06385 2.63567 2.63090 2.62452 2.04140 2.64094 2.04752 2.63700 2.63076 2.04772 2.04718 2.63309 2.62468 2.63120 2.04606 2.63904 2.04720 2.63899 2.04822 2.63536 2.04842 2.04789 2.08244 2.04973 2.05286 2.09947 2.10138 2.01585 1.97308 2.14284 1.99254 2.08013 1.98560 2.01139 2.13944 2.00178 2.12393 2.04905 1.95595 1.92350 1.90749 1.96720 1.88735 1.89265 1.88362 1.91308 1.97151 1.91798 1.88158 1.88486 1.89256 2.18609 2.06477 2.03232 2.13833 1.96608 2.17873 1.98028 2.17050 2.13235 1.85351 1.91470 1.92383 1.94386 1.94133 1.88683 2.06287 2.11218 2.10771 2.08423 2.09907 2.09941 2.07720 2.10019 2.10574 2.12583 2.05074 2.10645 2.10917 2.08953 2.08417 2.08033 2.08588 2.11688 2.09774 2.06532 2.11985 2.07885 2.08762 2.11649 2.07611 2.08711 2.11994 2.09877 2.08637 2.09804 2.10070 2.08502 2.09739 2.09198 2.09505 2.09614 3.16193 3.11795 -0.09104 3.04000 3.02644 -1.15404 0.92174 -0.40966 2.75110 -1.07345 2.09293 -2.46522 0.11178 0.06241 2.63942 0.05929 2.53212 -2.41059 0.06224 -2.62877 1.58263 -0.51173 -1.40100 2.81041 0.71605 1.08399 -0.98779 -3.08215 2.78176 0.68331 -1.43261 1.57089 -0.52756 -2.64348 -0.94788 -3.04633 1.12093 2.35830 -0.16939 -0.10664 -2.63433 2.75787 -0.38104 -2.26901 0.87526 0.18639 -2.95252 -1.05148 2.07927 0.18645 -2.96598 2.74346 -0.40897 0.03369 -3.11867 -3.11054 0.02029 0.78246 -2.32819 -1.30127 1.87127 2.87581 -0.23483 -3.06774 0.04105 0.04299 -3.13141 3.10638 -0.02464 -0.00347 -3.13449 3.10890 -0.05246 0.00011 3.12194 -0.02731 3.14126 3.10367 -0.01094 -3.13828 -0.01135 0.02226 -3.13400 0.01809 -3.10857 3.13278 0.00612 -3.12876 0.03524 -0.01274 -3.13192 3.11809 -0.03284 0.00161 3.13387 0.01267 -3.12441 3.13147 -0.00561 0.00967 3.13878 -3.12241 0.00670 -0.00166 -3.13744 3.13540 -0.00039 -0.00967 3.12612 -3.13869 -0.00291 0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00001 0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00001 0.00001 0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00001 -0.00000 -0.00000 0.00000 0.00000 0.00001 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00001 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 0.00001 0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00001 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00001 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 0.00003 0.00003 -0.00001 -0.00001 -0.00001 0.00001 0.00001 -0.00000 -0.00000 0.00001 0.00001 0.00001 0.00001 -0.00001 0.00000 -0.00000 0.00001 -0.00001 -0.00001 -0.00001 -0.00000 -0.00000 -0.00000 -0.00001 -0.00001 -0.00001 0.00001 0.00001 0.00001 0.00001 0.00001 0.00001 0.00001 0.00001 0.00001 -0.00002 -0.00000 -0.00001 0.00000 -0.00001 -0.00001 -0.00001 -0.00001 -0.00001 -0.00002 0.00003 0.00004 0.00004 0.00004 0.00002 0.00003 0.00000 -0.00001 0.00001 -0.00000 -0.00005 -0.00007 -0.00006 -0.00007 -0.00005 -0.00006 -0.00001 -0.00001 -0.00000 -0.00000 0.00001 0.00001 0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 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 -0.00002 0.00000 0.00002 0.00001 0.00000 0.00002 -0.00001 0.00000 -0.00000 -0.00002 -0.00000 0.00000 0.00001 0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00001 0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00001 0.00000 -0.00001 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 -0.00002 -0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00001 0.00001 -0.00000 -0.00000 -0.00000 0.00001 -0.00000 0.00001 -0.00002 -0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00001 0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 0.00001 -0.00000 -0.00001 0.00001 -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 0.00001 -0.00000 0.00000 -0.00001 0.00000 -0.00000 -0.00000 0.00001 -0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00001 0.00000 0.00001 -0.00000 -0.00001 0.00001 -0.00001 0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 0.00002 0.00000 0.00001 0.00001 0.00000 0.00001 0.00000 -0.00003 -0.00003 -0.00003 -0.00003 0.00002 -0.00000 0.00002 0.00000 0.00002 -0.00000 0.00000 -0.00002 0.00005 0.00005 0.00004 0.00003 0.00003 0.00003 0.00005 0.00005 0.00004 0.00008 0.00008 0.00007 0.00009 0.00009 0.00009 0.00007 0.00008 0.00007 0.00001 0.00002 -0.00001 0.00000 0.00003 0.00003 0.00003 0.00003 0.00005 0.00005 -0.00000 -0.00000 0.00001 0.00001 0.00001 0.00001 0.00003 -0.00000 0.00003 -0.00000 0.00001 0.00002 0.00001 0.00002 0.00002 0.00003 0.00000 0.00001 -0.00001 -0.00000 -0.00001 -0.00001 0.00000 0.00000 0.00001 0.00001 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00001 -0.00000 -0.00001 -0.00000 0.00000 -0.00000 0.00000 -0.00001 -0.00001 -0.00000 -0.00001 -0.00000 -0.00001 -0.00000 -0.00001 0.00001 0.00001 0.00001 0.00001 0.00001 -0.00000 0.00001 0.00000 -0.00001 -0.00001 -0.00001 -0.00000 0.00000 -0.00000 0.00001 0.00000 0.00000 0.00001 -0.00000 -0.00003 0.00000 0.00001 0.00001 0.00000 0.00002 -0.00001 0.00000 -0.00000 -0.00002 -0.00000 0.00000 0.00001 0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00001 0.00000 -0.00001 0.00000 0.00000 0.00000 -0.00001 0.00000 -0.00001 0.00000 0.00000 -0.00000 0.00000 -0.00001 -0.00000 0.00000 0.00001 -0.00000 0.00000 -0.00000 -0.00001 -0.00000 -0.00000 0.00000 -0.00001 -0.00000 0.00000 0.00001 -0.00000 0.00000 0.00000 -0.00001 0.00002 -0.00000 -0.00000 0.00001 0.00001 -0.00000 0.00001 -0.00002 -0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00001 -0.00000 0.00000 0.00000 -0.00000 0.00001 -0.00000 -0.00001 0.00001 -0.00000 -0.00000 0.00000 0.00000 0.00001 0.00001 0.00001 -0.00001 -0.00001 -0.00001 0.00001 -0.00001 0.00000 -0.00001 0.00001 -0.00000 0.00000 -0.00001 0.00000 -0.00000 -0.00000 0.00001 -0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00001 0.00000 0.00001 -0.00000 -0.00001 0.00001 -0.00000 0.00001 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 0.00002 -0.00000 0.00004 0.00004 -0.00001 -0.00000 -0.00000 -0.00002 -0.00002 -0.00003 -0.00003 0.00002 0.00001 0.00003 0.00001 0.00001 -0.00000 -0.00000 -0.00001 0.00004 0.00004 0.00003 0.00003 0.00003 0.00002 0.00004 0.00004 0.00003 0.00009 0.00009 0.00008 0.00010 0.00010 0.00010 0.00009 0.00009 0.00009 -0.00001 0.00002 -0.00002 0.00000 0.00002 0.00002 0.00002 0.00002 0.00004 0.00003 0.00003 0.00004 0.00005 0.00005 0.00003 0.00004 0.00003 -0.00001 0.00003 -0.00001 -0.00004 -0.00004 -0.00006 -0.00006 -0.00003 -0.00003 -0.00001 -0.00000 -0.00001 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00001 0.00001 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00001 -0.00000 -0.00001 -0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00001 -0.00000 -0.00001 -0.00001 -0.00001 -0.00000 -0.00000 0.00001 0.00001 0.00001 0.00001 0.00000 0.00000 0.00000 0.00000 -0.00001 -0.00000 -0.00001 -0.00000 0.00000 -0.00000 0.00001 0.00000 3.30865 3.31301 2.55629 2.72929 2.30087 2.62211 2.64767 2.18097 2.85360 2.90445 2.86599 2.86599 2.90331 2.77953 2.04445 2.78656 2.04587 2.06771 2.06619 2.05598 2.06676 2.06145 2.06815 2.51612 2.04821 2.86485 2.78377 2.06385 2.63567 2.63091 2.62452 2.04140 2.64093 2.04752 2.63699 2.63077 2.04772 2.04718 2.63309 2.62468 2.63120 2.04606 2.63905 2.04720 2.63900 2.04822 2.63535 2.04842 2.04789 2.08244 2.04972 2.05285 2.09947 2.10139 2.01585 1.97308 2.14284 1.99253 2.08015 1.98559 2.01139 2.13945 2.00179 2.12393 2.04906 1.95593 1.92350 1.90749 1.96720 1.88735 1.89265 1.88362 1.91308 1.97151 1.91798 1.88158 1.88486 1.89256 2.18609 2.06477 2.03232 2.13832 1.96609 2.17873 1.98028 2.17051 2.13235 1.85353 1.91471 1.92383 1.94385 1.94132 1.88682 2.06287 2.11218 2.10771 2.08423 2.09908 2.09941 2.07721 2.10019 2.10574 2.12583 2.05073 2.10646 2.10917 2.08954 2.08416 2.08033 2.08589 2.11688 2.09773 2.06532 2.11986 2.07884 2.08761 2.11650 2.07610 2.08711 2.11993 2.09877 2.08637 2.09803 2.10070 2.08502 2.09739 2.09198 2.09505 2.09614 3.16195 3.11795 -0.09101 3.04004 3.02644 -1.15404 0.92173 -0.40968 2.75108 -1.07348 2.09289 -2.46520 0.11179 0.06244 2.63943 0.05930 2.53212 -2.41059 0.06223 -2.62873 1.58267 -0.51169 -1.40097 2.81044 0.71607 1.08403 -0.98775 -3.08212 2.78185 0.68340 -1.43252 1.57099 -0.52746 -2.64338 -0.94780 -3.04624 1.12102 2.35830 -0.16938 -0.10666 -2.63433 2.75789 -0.38103 -2.26899 0.87528 0.18643 -2.95249 -1.05145 2.07931 0.18649 -2.96593 2.74349 -0.40893 0.03372 -3.11868 -3.11051 0.02028 0.78242 -2.32823 -1.30133 1.87121 2.87578 -0.23487 -3.06775 0.04105 0.04298 -3.13141 3.10638 -0.02464 -0.00347 -3.13449 3.10891 -0.05245 0.00011 3.12194 -0.02731 3.14127 3.10367 -0.01093 -3.13828 -0.01136 0.02225 -3.13401 0.01808 -3.10857 3.13277 0.00612 -3.12876 0.03523 -0.01274 -3.13193 3.11808 -0.03284 0.00160 3.13386 0.01268 -3.12441 3.13149 -0.00560 0.00967 3.13878 -3.12241 0.00670 -0.00166 -3.13745 3.13539 -0.00039 -0.00967 3.12611 -3.13869 -0.00291 |Maximum Force|RMS Force|Maximum Displacement|RMS Displacement| 0.000009 0.000002 0.000332 0.000069 0.000450 0.000300 0.001800 0.001200 YES YES YES YES -1.213733e-09 Optimization completed. -- Stationary point found. R1 R2 R3 R4 R5 R6 R7 R8 R9 R10 R11 R12 R13 R14 R15 R16 R17 R18 R19 R20 R21 R22 R23 R24 R25 R26 R27 R28 R29 R30 R31 R32 R33 R34 R35 R36 R37 R38 R39 R40 R41 R42 R43 R44 R45 R46 R47 R48 R49 1 2 3 3 4 5 5 6 7 7 7 7 8 8 8 9 9 10 10 10 11 11 11 12 12 15 15 15 16 16 18 18 19 19 20 21 21 22 23 23 24 24 25 25 26 26 27 27 28 14 14 13 15 13 20 23 17 8 9 10 11 9 12 29 13 30 31 32 33 34 35 36 14 37 16 17 38 18 19 20 39 21 40 22 22 41 42 24 25 26 43 27 44 28 45 28 46 47 1.7509 1.7532 1.3527 1.4443 1.2176 1.3876 1.4011 1.1541 1.51 1.537 1.5166 1.5166 1.5364 1.4709 1.0819 1.4746 1.0826 1.0942 1.0934 1.088 1.0937 1.0909 1.0944 1.3315 1.0839 1.516 1.4731 1.0921 1.3947 1.3922 1.3888 1.0803 1.3975 1.0835 1.3954 1.3921 1.0836 1.0833 1.3934 1.3889 1.3924 1.0827 1.3965 1.0833 1.3965 1.0839 1.3946 1.084 1.0837 -DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0 A1 A2 A3 A4 A5 A6 A7 A8 A9 A10 A11 A12 A13 A14 A15 A16 A17 A18 A19 A20 A21 A22 A23 A24 A25 A26 A27 A28 A29 A30 A31 A32 A33 A34 A35 A36 A37 A38 A39 A40 A41 A42 A43 A44 A45 A46 A47 A48 A49 A50 A51 A52 A53 A54 A55 A56 A57 A58 A59 A60 A61 A62 A63 A64 A65 A66 A67 A68 A69 A70 A71 A72 A73 A74 A75 A76 A77 A78 A79 A80 13 20 8 8 9 9 10 7 7 9 9 12 7 7 8 8 13 7 7 7 31 31 32 7 7 7 34 34 35 8 8 14 3 3 4 1 1 2 3 3 3 16 16 17 15 15 18 16 16 20 16 16 21 5 5 18 19 19 22 20 20 21 5 5 24 23 23 26 23 23 27 24 24 28 25 25 28 26 26 27 3 5 7 7 7 7 7 8 8 8 8 8 9 9 9 9 9 10 10 10 10 10 10 11 11 11 11 11 11 12 12 12 13 13 13 14 14 14 15 15 15 15 15 15 16 16 16 18 18 18 19 19 19 20 20 20 21 21 21 22 22 22 23 23 23 24 24 24 25 25 25 26 26 26 27 27 27 28 28 28 15 23 10 11 10 11 11 12 29 12 29 29 13 30 13 30 30 31 32 33 32 33 33 34 35 36 35 36 36 14 37 37 4 9 9 2 12 12 16 17 38 17 38 38 18 19 19 20 39 39 21 40 40 18 22 22 22 41 41 21 42 42 24 25 25 26 43 43 27 44 44 28 45 45 28 46 46 27 47 47 119.315 117.4406 117.6201 120.2905 120.4004 115.4998 113.049 122.7754 114.1639 119.1828 113.7662 115.2442 122.5811 114.6937 121.6922 117.402 112.0674 110.2084 109.2913 112.7122 108.1373 108.4411 107.9235 109.6112 112.9594 109.8922 107.8064 107.9945 108.4355 125.2539 118.3024 116.4435 122.517 112.6478 124.8322 113.4619 124.3608 122.1748 106.1985 109.7042 110.2271 111.3749 111.2299 108.1074 118.1937 121.0193 120.7629 119.4178 120.2679 120.2875 119.015 120.3322 120.65 121.8013 117.4985 120.691 120.8467 119.7215 119.4139 119.1941 119.5123 121.2881 120.1918 118.3339 121.4585 119.1092 119.6118 121.2662 118.9521 119.5824 121.4633 120.2508 119.5402 120.2086 120.3615 119.4629 120.1717 119.8616 120.0376 120.1 -DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0 A81 6 17 15 7 -1 181.1653 -DE/DX|=|0.0 D1 D2 D3 D4 D5 D6 D7 D8 D9 D10 D11 D12 D13 D14 D15 D16 D17 D18 D19 D20 D21 D22 D23 D24 D25 D26 D27 D28 D29 D30 D31 D32 D33 D34 D35 D36 D37 D38 D39 D40 D41 D42 D43 D44 D45 D46 D47 D48 D49 D50 D51 D52 D53 D54 D55 D56 D57 D58 D59 D60 D61 D62 D63 D64 D65 D66 D67 D68 D69 D70 D71 D72 D73 D74 D75 D76 D77 D78 D79 D80 D81 D82 D83 D84 D85 D86 D87 D88 D89 D90 D91 D92 D93 D94 D95 D96 D97 D98 D99 D100 D101 D102 D103 D104 D105 D106 D107 D108 15 15 13 13 13 23 23 20 20 10 10 11 11 10 10 11 11 8 8 8 9 9 9 11 11 11 8 8 8 9 9 9 10 10 10 12 12 29 29 7 7 9 9 29 29 7 7 8 8 30 30 8 8 37 37 3 3 17 17 38 38 15 15 19 19 15 15 18 18 16 16 39 39 16 16 40 40 5 5 18 18 19 19 41 41 5 5 25 25 5 5 24 24 23 23 43 43 23 23 44 44 24 24 45 45 25 25 46 3 3 3 3 3 5 5 5 5 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 8 8 8 8 8 8 8 8 8 8 9 9 9 9 9 9 12 12 12 12 15 15 15 15 15 15 16 16 16 16 16 16 16 16 18 18 18 18 19 19 19 19 20 20 20 20 21 21 21 21 23 23 23 23 23 23 23 23 24 24 24 24 25 25 25 25 26 26 26 26 27 27 27 13 13 15 15 15 20 20 23 23 8 8 8 8 9 9 9 9 10 10 10 10 10 10 10 10 10 11 11 11 11 11 11 11 11 11 9 9 9 9 12 12 12 12 12 12 13 13 13 13 13 13 14 14 14 14 16 16 16 16 16 16 18 18 18 18 19 19 19 19 20 20 20 20 21 21 21 21 22 22 22 22 22 22 22 22 24 24 24 24 25 25 25 25 26 26 26 26 27 27 27 27 28 28 28 28 28 28 28 4 9 16 17 38 18 22 24 25 12 29 12 29 13 30 13 30 31 32 33 31 32 33 31 32 33 34 35 36 34 35 36 34 35 36 13 30 13 30 14 37 14 37 14 37 3 4 3 4 3 4 1 2 1 2 18 19 18 19 18 19 20 39 20 39 21 40 21 40 5 22 5 22 22 41 22 41 21 42 21 42 20 42 20 42 26 43 26 43 27 44 27 44 28 45 28 45 28 46 28 46 27 47 27 47 26 47 26 -5.2163 174.1792 173.4025 -66.1213 52.8117 -23.4718 157.6263 -61.5039 119.9159 -141.2469 6.4048 3.5757 151.2274 3.3973 145.08 -138.1168 3.5659 -150.6174 90.6783 -29.3197 -80.2713 161.0244 41.0265 62.1081 -56.5962 -176.5942 159.3833 39.151 -82.0825 90.0055 -30.2267 -151.4602 -54.3096 -174.5419 64.2247 135.1209 -9.7054 -6.1097 -150.936 158.0145 -21.832 -130.0048 50.1488 10.6794 -169.167 -60.2454 119.1337 10.6828 -169.9382 157.1887 -23.4323 1.9301 -178.6864 -178.2209 1.1626 44.8316 -133.3953 -74.5573 107.2157 164.772 -13.4549 -175.7688 2.352 2.4629 -179.4164 177.9823 -1.4119 -0.1991 -179.5933 178.1268 -3.0059 0.0064 178.8737 -1.565 179.9811 177.8272 -0.6267 -179.8101 -0.6503 1.2751 -179.5651 1.0363 -178.1081 179.4948 0.3505 -179.2649 2.019 -0.73 -179.446 178.6534 -1.8813 0.092 179.5573 0.726 -179.0156 179.4201 -0.3215 0.5539 179.8388 -178.901 0.384 -0.0948 -179.7622 179.645 -0.0224 -0.554 179.1132 -179.8338 -DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-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 -0.0577515492 PCM SMD-Coulomb. Total charges None On-the-fly selection Water 78.355300 1.777849 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 397.1462999999997 AuxInfo=1/0/N:7;8;9;10;11;12;13;14;15;16;17;18;19;20;21;22;23;24;25;26;27;28;1;2;6;3;4;5;29;30;31;32;33;34;35;36;37;38;39;40;41;42;43;44;45;46;47/rA:47nCl0Cl0O0O0O0N0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:2.4143,.2667,2.302;4.0351,-1.8941,3.3029;-1.6159,-1.3404,.0849;-2.2245,-3.4695,-.1802;-1.1075,3.6045,-.8938;-3.6024,-1.3848,-2.6579;1.081,-2.57,-.9265;1.1353,-1.934,.4357;.0747,-2.9731,.1348;.6612,-1.7005,-2.0875;2.0928,-3.6196,-1.3153;2.1898,-2.27,1.3995;-1.3576,-2.6495,.0013;2.7877,-1.4134,2.2174;-2.9401,-.8931,-.1734;-2.9541,.5921,.0817;-3.2999,-1.1873,-1.5657;-2.0428,1.3986,-.5907;-3.8305,1.1294,1.0107;-1.9845,2.7496,-.2889;-3.7878,2.4936,1.271;-2.8617,3.3039,.6378;.0913,3.1335,-1.3788;.9135,2.3067,-.6225;.4805,3.5649,-2.6373;2.1289,1.8973,-1.1507;1.7081,3.1616,-3.1457;2.5323,2.3224,-2.4102;.7916,-.9069,.462;.2302,-3.9634,.5485;.125,-2.2888,-2.8345;1.5474,-1.2855,-2.5703;.0303,-.8621,-1.7985;1.7203,-4.2031,-2.1586;2.3179,-4.3195,-.512;3.0275,-3.1496,-1.6258;2.5154,-3.3019,1.4555;-3.6635,-1.3969,.4743;-1.3793,.9696,-1.3321;-4.5335,.4924,1.5311;-4.4684,2.9258,1.9919;-2.8139,4.3625,.8586;.6122,1.9802,.3651;-.1688,4.2135,-3.2113;2.7695,1.2492,-.567;2.0139,3.502,-4.1262;3.4844,2.0037,-2.8125; 0.000000 2.880641 0.000000 4.872472 6.526565 0.000000 6.452818 7.334552 2.230207 0.000000 5.810121 8.619427 5.066416 7.197170 0.000000 7.970468 9.701627 3.386863 3.519091 5.850601 0.000000 4.499776 5.203038 3.131794 3.506038 6.551019 5.131903 0.000000 3.156277 4.078154 2.836264 3.744991 6.121549 5.684840 1.504377 0.000000 4.546082 5.185152 2.350794 2.373120 6.761729 4.882903 1.517118 1.514959 0.000000 5.119705 6.362213 3.167644 3.885123 5.718139 4.313088 1.510024 2.577994 2.627208 0.000000 5.319028 5.298873 4.572767 4.466574 7.912559 6.263573 1.508866 2.612368 2.567881 2.515715 0.000000 2.701802 2.677593 4.132254 4.839403 7.116270 7.127055 2.594156 1.467542 2.562696 3.849680 3.033344 0.000000 5.293875 6.368079 1.337007 1.206966 6.322757 3.702687 2.610340 2.629656 1.474416 3.055985 3.818379 3.831831 0.000000 1.723227 1.722062 4.893308 5.924303 7.073350 8.037532 3.759579 2.485101 3.758981 4.810049 4.222568 1.326680 4.860286 0.000000 6.011863 7.857476 1.421369 2.673952 4.909836 2.617880 4.421383 4.250084 3.675621 4.157547 5.836829 5.539442 2.370627 6.228490 0.000000 5.818559 8.087440 2.350639 4.134974 3.665550 3.440051 5.224748 4.819739 4.678382 4.799200 6.720308 6.032242 3.614390 6.446067 1.507066 0.000000 7.051581 8.832014 2.362949 2.878338 5.312179 1.150416 4.638157 4.922772 4.179523 4.028088 5.921168 6.332509 2.892407 7.170842 1.467833 2.449444 0.000000 5.432722 7.933644 2.853136 4.888727 2.415174 3.801653 5.061672 4.718015 4.911350 4.376807 6.543000 5.944208 4.148127 6.255089 2.496215 1.390296 3.036002 0.000000 6.435032 8.732924 3.444069 5.014759 4.143404 4.453272 6.446819 5.862951 5.731335 6.146752 7.940392 6.924673 4.627612 7.191867 2.507073 1.385511 3.505174 2.415058 0.000000 5.676870 8.408380 4.123568 6.224735 1.365958 5.032208 6.172711 5.674012 6.096657 5.480742 7.631875 6.743253 5.443183 6.810734 3.767799 2.394246 4.342772 1.385604 2.778796 0.000000 6.669923 9.196626 4.563255 6.333116 3.620021 5.523797 7.360309 6.673656 6.789248 6.975923 8.868040 7.644557 5.828349 7.706964 3.778154 2.392669 4.672636 2.776663 1.389417 2.398086 0.000000 6.311159 9.038176 4.840143 6.852301 2.348056 5.778697 7.245324 6.591840 6.948076 6.699415 8.734831 7.560813 6.173387 7.527572 4.275378 2.769705 5.021703 2.410378 2.409515 1.391205 1.383900 0.000000 5.211823 7.921450 5.007245 7.099257 1.376313 5.974447 5.806395 5.482895 6.291417 4.918847 7.043792 6.428068 6.119435 6.393570 5.182306 4.226854 5.495811 2.861052 5.010617 2.375721 4.741125 3.579929 0.000000 3.868645 6.542190 4.494351 6.588399 2.417105 6.177600 4.889058 4.376368 5.399380 4.274118 6.082137 5.163634 5.487354 5.041506 5.028983 4.288808 5.554245 3.092783 5.153468 2.950504 5.071673 4.102999 1.389833 0.000000 6.246064 8.815973 5.988837 7.926953 2.358600 6.416309 6.397168 6.333197 7.112937 5.297094 7.480892 7.298075 6.997076 7.326240 6.135555 5.294018 6.166205 3.904934 6.150066 3.500785 5.885619 4.686616 1.386090 2.414498 0.000000 3.829002 6.151707 5.102206 6.978275 3.668090 6.774272 4.594041 4.264147 5.439954 3.997037 5.519504 4.886024 5.844335 4.768532 5.868249 5.390660 6.257632 4.238553 6.385549 4.288212 6.420829 5.484812 2.394152 1.387035 2.776268 0.000000 6.209397 8.518253 6.461654 8.260185 3.632473 7.007684 6.178115 6.254587 7.145916 5.084866 7.034411 7.098772 7.284970 7.131563 6.846975 6.225306 6.818218 4.868838 7.216702 4.686790 7.082243 5.934480 2.395157 2.780134 1.388547 2.399094 0.000000 5.142361 7.257879 6.070285 7.819570 4.146258 7.172048 5.314403 5.307310 6.368583 4.448490 6.057980 5.976638 6.757670 5.952772 6.729782 6.269289 6.858915 5.009544 7.321898 5.008336 7.315986 6.272846 2.771298 2.411789 2.409380 1.389127 1.387331 0.000000 2.719562 4.423315 2.475143 4.009545 5.079140 5.410107 2.185803 1.083432 2.211422 2.673365 3.494439 2.166061 2.805057 2.705972 3.785470 4.052439 4.574972 3.802241 5.080521 4.651933 5.760948 5.577479 4.494827 3.393787 5.449603 3.500319 5.514298 4.659073 0.000000 5.073316 5.132778 3.240863 2.607764 7.819401 5.623073 2.200183 2.224869 1.084407 3.500645 2.657290 2.726089 2.132325 3.978418 4.471984 5.577692 4.963676 5.934188 6.529928 7.118323 7.639287 7.898173 7.355220 6.414950 8.178355 6.390568 8.160619 7.318701 3.108837 0.000000 6.176951 7.287812 3.528824 3.736222 6.325864 3.839470 2.152513 3.441028 3.047544 1.091535 2.819804 4.710621 3.220183 5.777300 4.292345 5.126869 3.814800 4.830158 6.489613 6.026229 7.418602 7.228741 5.614390 5.160740 5.867742 4.937006 5.684131 5.219004 3.636022 3.776179 0.000000 5.186533 6.407333 4.130311 4.970899 5.811352 5.151476 2.137654 3.102689 3.512086 1.091229 2.705657 4.140166 4.112506 4.947370 5.102674 5.551814 4.951260 4.900287 6.897623 5.827638 7.582972 7.127035 4.802872 4.135208 4.966754 3.533219 4.487013 3.743313 3.147907 4.316559 1.760589 0.000000 4.875590 6.567171 2.546686 3.808100 4.697190 3.769352 2.186634 2.713234 2.862870 1.088395 3.477304 4.107602 2.891420 4.902462 3.386036 3.815300 3.354076 3.296497 5.173289 4.402548 5.937983 5.626190 4.018014 3.493436 4.528120 3.526725 4.562857 4.095713 2.385626 3.894370 1.765731 1.754057 0.000000 6.352742 6.365336 4.935376 4.473593 8.399706 6.043391 2.143248 3.495889 3.079043 2.718359 1.090990 4.076392 4.068363 5.298135 6.051117 7.061368 5.886279 6.928014 8.324105 8.096979 9.324473 9.228684 7.555608 6.737059 7.880802 6.196578 7.430532 6.580609 4.312157 3.099292 2.581918 2.951570 3.761399 0.000000 5.381605 4.835804 4.970581 4.633156 8.641215 6.947493 2.182351 2.826248 2.695107 3.476526 1.088976 2.805523 4.069634 4.014426 6.285076 7.229919 6.517746 7.191585 8.355433 8.278511 9.320815 9.288030 7.826694 6.774350 8.369966 6.252422 7.954577 6.911141 3.863249 2.368536 3.785065 3.746418 4.340781 1.755521 0.000000 5.241589 5.184929 5.268795 5.456638 7.953116 6.937900 2.147918 3.050860 3.442360 2.812881 1.091250 3.259978 4.703830 4.223896 6.543173 7.259157 6.624901 6.889458 8.502496 7.855411 9.310431 9.025149 6.939690 5.936892 7.252151 5.148226 6.624329 5.550027 3.793075 3.635099 3.259801 2.560766 3.774336 1.761400 1.764266 0.000000 3.668983 2.775619 4.774249 5.016940 8.145129 7.617235 2.875267 2.194467 2.794522 4.307609 2.820859 1.083485 4.188106 2.054425 6.182041 6.853168 6.885942 6.859871 7.752707 7.740296 8.564512 8.556740 7.437978 6.191937 8.248831 5.828643 7.974915 6.824648 3.113594 2.546001 5.014409 4.605435 4.766201 3.808681 2.223943 3.127267 0.000000 6.561088 8.216824 2.085069 2.606664 5.780969 3.132840 5.084154 4.828873 4.071034 5.035651 6.424831 5.989904 2.666442 6.682534 1.093878 2.147960 2.082736 3.402288 2.588078 4.538247 3.973196 4.771502 6.169065 5.989020 7.174534 6.858874 7.920745 7.780819 4.482012 4.664035 5.108414 6.036193 4.369846 6.617492 6.729926 7.228478 6.539863 0.000000 5.300214 7.681150 2.720243 4.663348 2.684978 3.498943 4.329688 4.228369 4.450903 3.444351 5.754706 5.540270 3.856986 5.970044 2.692310 2.149777 2.897420 1.083536 3.394499 2.150172 3.860023 3.395158 2.616764 2.747422 3.449309 3.633300 4.198305 4.277001 3.384183 5.519156 3.890593 3.896667 2.357807 6.086590 6.505130 6.039297 6.417518 3.752482 0.000000 6.994135 9.069516 3.736752 4.894585 5.225258 4.683865 6.851371 6.262801 5.932514 6.699874 8.301793 7.269877 4.722150 7.596291 2.713632 2.145967 3.732734 3.395108 1.082105 3.860736 2.151402 3.390791 6.068945 6.131832 7.208042 7.318029 8.243470 8.295076 5.608776 6.596437 6.963829 7.547212 5.809391 8.647028 8.618108 8.966521 8.005573 2.333101 4.286611 0.000000 7.384995 9.862009 5.474828 7.117105 4.481416 6.399349 8.337661 7.578930 7.673647 8.022263 9.840213 8.466289 6.687598 8.457557 4.648449 3.374563 5.562299 3.858155 2.143981 3.376779 1.081509 2.134902 5.674063 6.015147 6.806502 7.379499 8.037333 8.291625 6.685616 8.462929 8.460761 8.645127 6.996608 10.312441 10.238093 10.304617 9.372517 4.651570 4.941484 2.477531 0.000000 6.796509 9.593128 5.878450 7.922512 2.560671 6.783657 8.149591 7.444468 7.916930 7.583893 9.618496 8.325764 7.212750 8.159959 5.357415 3.852075 6.075580 3.388156 3.392493 2.146118 2.147387 1.082420 3.867338 4.506966 4.869306 5.877504 6.158308 6.590009 6.397083 8.870295 8.155648 7.916920 6.514969 10.150378 10.177975 9.834838 9.354089 5.834388 4.285907 4.287988 2.466880 0.000000 3.152018 5.946220 4.008608 6.167903 2.679693 6.182529 4.753124 3.949613 4.987661 4.423266 6.031076 4.650002 5.044460 4.436264 4.600497 3.837382 5.391161 2.881098 4.569245 2.786101 4.521507 3.727554 2.154674 1.082869 3.397429 2.145874 3.862959 3.392023 2.894222 5.958617 5.357092 4.489515 3.619089 6.769734 6.585230 6.009277 5.719358 5.449605 2.804965 5.481931 5.417803 4.201996 0.000000 7.255749 9.869712 6.618463 8.511277 2.573458 6.590574 7.266227 7.265886 7.931121 6.076790 8.370621 8.298037 7.670380 8.359050 6.556407 5.631695 6.455956 4.278234 6.383103 3.738961 6.012153 4.784799 2.142909 3.392537 1.082545 3.858787 2.152566 3.393256 6.374423 9.008655 6.519798 5.796127 5.272276 8.689967 9.288836 8.181985 9.244704 7.567900 3.939474 7.442276 6.871462 4.856184 4.288138 0.000000 3.053306 5.143846 5.134458 6.881565 4.548123 7.204877 4.191288 3.716079 5.057936 3.931683 4.972291 4.072834 5.705804 3.852663 6.110996 5.797621 6.615956 4.814672 6.786996 4.992861 6.922756 6.114220 3.373748 2.136849 3.858409 1.082149 3.381333 2.145931 3.101531 5.904513 4.965110 3.454202 3.671138 5.775964 5.587325 4.531789 4.986760 7.033478 4.228002 7.636042 7.857813 6.549698 2.461104 4.940918 0.000000 7.207499 9.401826 7.372692 9.062911 4.494669 7.588055 6.926531 7.150703 7.990182 5.749085 7.656618 7.992409 8.139025 8.062264 7.712586 7.131266 7.535330 5.777643 8.134686 5.592657 7.987879 6.819548 3.373465 3.862074 2.138266 3.382529 1.081964 2.145872 6.479397 8.986916 6.226500 5.055492 5.328949 7.957726 8.621491 7.177893 8.814677 8.797534 5.072828 9.161410 8.932097 6.992570 4.944888 2.471378 4.279373 0.000000 5.506393 7.272919 6.752085 8.335258 5.227787 7.856695 5.500195 5.619170 6.714282 4.713558 5.983292 6.138500 7.281132 6.120625 7.525363 7.198866 7.600191 5.987719 8.299921 6.069064 8.354624 7.339493 3.852936 3.390852 3.389864 2.147191 2.146400 1.081640 5.142435 7.582321 5.450830 3.824836 4.601278 6.485684 6.829076 5.307874 6.877810 8.570869 5.188103 9.243284 9.336953 7.662184 4.283371 4.288143 2.474386 2.476413 0.000000 C22H19Cl2NO3 C1 1 C1 1 C1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 397.1462999999997 AuxInfo=1/0/N:7;8;9;10;11;12;13;14;15;16;17;18;19;20;21;22;23;24;25;26;27;28;1;2;6;3;4;5;29;30;31;32;33;34;35;36;37;38;39;40;41;42;43;44;45;46;47/rA:47nCl0Cl0O0O0O0N0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:2.3724,-1.6889,-1.706;5.1778,-1.035,-1.7117;-.3778,2.0505,-.2247;.3477,4.0651,.399;-3.2744,-2.1024,-.402;-2.7485,3.2644,1.8674;1.961,1.2331,1.6912;2.0968,.7561,.2709;1.8358,2.2225,.5479;.738,.7958,2.4614;3.1834,1.3775,2.5638;3.3972,.371,-.2897;.556,2.8869,.2403;3.6091,-.6416,-1.1202;-1.6955,2.5466,-.4193;-2.4962,1.4244,-1.0282;-2.2663,2.9559,.8696;-2.5439,.1995,-.3724;-3.1294,1.6046,-2.2473;-3.1964,-.8645,-.9741;-3.8154,.5392,-2.8173;-3.8411,-.6969,-2.1955;-2.2918,-2.5249,.4642;-.9418,-2.3915,.1619;-2.7007,-3.1474,1.6332;.0013,-2.8734,1.0574;-1.7455,-3.6411,2.5117;-.3939,-3.5002,2.2324;1.2479,.1889,-.0918;2.6787,2.8966,.4428;.4369,1.5654,3.1744;.9695,-.1065,3.0298;-.1169,.5661,1.8281;2.965,2.0355,3.4063;4.0402,1.7975,2.0391;3.4773,.4079,2.9691;4.2643,.9562,-.0074;-1.6987,3.4182,-1.0803;-2.0646,.0789,.5919;-3.0832,2.5611,-2.7512;-4.3161,.6675,-3.7673;-4.3562,-1.5324,-2.6518;-.625,-1.9148,-.7574;-3.7563,-3.2486,1.8512;1.0535,-2.7667,.8281;-2.0647,-4.1311,3.422;.3477,-3.8789,2.9228; 0.1724488 0.1212988 0.0991588 -101.57279 -101.57176 -19.19459 -19.17520 -19.13249 -14.33396 -10.32417 -10.28901 -10.28367 -10.24841 -10.24149 -10.23336 -10.20562 -10.20379 -10.19760 -10.19724 -10.19679 -10.18440 -10.18321 -10.18105 -10.18083 -10.17845 -10.17805 -10.17785 -10.17650 -10.17259 -10.15805 -10.15712 -9.48813 -9.48685 -7.25275 -7.25158 -7.24281 -7.24250 -7.24147 -7.24125 -1.14609 -1.10061 -1.05182 -0.93623 -0.93318 -0.90188 -0.88419 -0.86580 -0.84802 -0.82093 -0.77594 -0.77388 -0.75891 -0.75474 -0.74071 -0.72821 -0.69435 -0.67406 -0.65295 -0.63035 -0.62400 -0.61471 -0.59667 -0.58419 -0.56358 -0.55533 -0.54875 -0.52287 -0.51437 -0.50871 -0.49569 -0.49071 -0.48962 -0.48421 -0.48099 -0.46374 -0.45885 -0.44780 -0.44583 -0.43896 -0.43314 -0.42795 -0.42233 -0.41750 -0.41475 -0.41111 -0.40466 -0.39818 -0.39505 -0.38546 -0.38254 -0.37934 -0.37716 -0.37212 -0.36750 -0.36494 -0.35796 -0.35321 -0.34944 -0.34576 -0.34095 -0.33926 -0.33828 -0.33377 -0.32218 -0.30829 -0.29159 -0.27265 -0.26655 -0.26368 -0.24407 -0.23406 -0.04312 -0.02962 -0.02622 -0.01827 -0.01191 -0.00959 -0.00692 0.00247 0.00332 0.00951 0.01429 0.01692 0.02074 0.02085 0.02824 0.03181 0.03452 0.03719 0.04083 0.04331 0.04761 0.04915 0.05392 0.05793 0.06148 0.06532 0.06738 0.07289 0.07488 0.07679 0.07898 0.08232 0.08704 0.09055 0.09280 0.09561 0.09822 0.10113 0.10216 0.10502 0.10651 0.11146 0.11365 0.11598 0.11922 0.12054 0.12166 0.12585 0.12717 0.13004 0.13654 0.13820 0.13910 0.14189 0.14417 0.14673 0.15054 0.15138 0.15250 0.15549 0.15878 0.16133 0.16189 0.16397 0.16634 0.17156 0.17318 0.17554 0.17957 0.18217 0.18279 0.18699 0.19019 0.19120 0.19438 0.19594 0.19805 0.20117 0.20335 0.20469 0.20677 0.21101 0.21335 0.21633 0.21881 0.21953 0.22146 0.22465 0.22634 0.22669 0.22968 0.23076 0.23202 0.23561 0.23815 0.24014 0.24151 0.24279 0.24594 0.24712 0.24919 0.25113 0.25430 0.25541 0.25755 0.25992 0.26364 0.26512 0.26853 0.26900 0.27037 0.27192 0.27471 0.27718 0.28014 0.28364 0.29004 0.29085 0.29129 0.29334 0.29646 0.29906 0.30171 0.30580 0.30640 0.31329 0.31698 0.32111 0.32120 0.32496 0.32743 0.33001 0.33248 0.33523 0.33925 0.33994 0.34482 0.34754 0.35224 0.35496 0.35689 0.35811 0.36680 0.36738 0.37012 0.37557 0.37681 0.38273 0.38667 0.39213 0.39655 0.39709 0.40884 0.41281 0.41894 0.42084 0.42629 0.43254 0.43813 0.44701 0.45060 0.45314 0.45986 0.46080 0.47467 0.47673 0.47800 0.49164 0.49283 0.50132 0.50218 0.50437 0.51781 0.52087 0.53691 0.54232 0.54570 0.54969 0.55697 0.55935 0.56560 0.57052 0.57526 0.57856 0.58122 0.58403 0.58824 0.58958 0.59362 0.59814 0.60234 0.61195 0.61528 0.61845 0.62632 0.63012 0.63500 0.64163 0.64391 0.65041 0.65510 0.65881 0.66364 0.66735 0.66916 0.67362 0.67832 0.67897 0.68324 0.68593 0.68612 0.69366 0.70159 0.70507 0.70652 0.71041 0.71439 0.71742 0.71846 0.72289 0.72554 0.72944 0.73373 0.74034 0.74575 0.74949 0.75053 0.75253 0.76029 0.76360 0.76602 0.76902 0.77320 0.78031 0.78579 0.78685 0.78990 0.79808 0.80591 0.80661 0.81129 0.81644 0.81976 0.82363 0.83298 0.83944 0.84193 0.84332 0.85385 0.85952 0.86177 0.86725 0.86745 0.87232 0.87591 0.88227 0.89468 0.89996 0.90409 0.90749 0.91326 0.92178 0.92741 0.93069 0.93452 0.94184 0.94521 0.95228 0.95618 0.95717 0.96194 0.96988 0.97407 0.97889 0.98266 0.98554 0.99834 1.00645 1.01648 1.01969 1.02673 1.03441 1.04148 1.04641 1.05047 1.05505 1.06248 1.06731 1.07084 1.07670 1.08470 1.09996 1.10145 1.10596 1.11607 1.12444 1.12647 1.13494 1.13559 1.15184 1.16210 1.17191 1.17633 1.18527 1.18791 1.19892 1.20291 1.22436 1.23000 1.23926 1.25116 1.25930 1.28785 1.29142 1.29818 1.31194 1.31931 1.32544 1.32961 1.34135 1.35447 1.37048 1.37751 1.39532 1.40472 1.41350 1.41971 1.42956 1.44992 1.45795 1.46601 1.47699 1.48260 1.49040 1.49718 1.50878 1.52272 1.52652 1.53261 1.53749 1.54089 1.54515 1.54916 1.55582 1.56478 1.56678 1.57753 1.58028 1.58563 1.58724 1.59812 1.60939 1.61904 1.62106 1.62198 1.63219 1.63408 1.64193 1.65867 1.66224 1.67324 1.67632 1.67948 1.68239 1.69511 1.70071 1.70380 1.70878 1.71367 1.71943 1.73227 1.73280 1.74932 1.75439 1.75877 1.76650 1.76906 1.77368 1.79270 1.79744 1.80458 1.81051 1.82398 1.82696 1.83469 1.84305 1.85094 1.85357 1.86315 1.86945 1.88149 1.88510 1.89771 1.90745 1.91594 1.92645 1.93246 1.93481 1.94196 1.94992 1.96026 1.96351 1.96505 1.97795 1.98806 1.99548 1.99918 2.00567 2.00829 2.01580 2.02869 2.03351 2.03806 2.04776 2.05266 2.05944 2.06215 2.06768 2.08759 2.09465 2.09793 2.10282 2.10604 2.11486 2.12209 2.12448 2.13373 2.16332 2.16947 2.19303 2.21235 2.21882 2.23499 2.23893 2.24853 2.25071 2.26359 2.27161 2.28508 2.29251 2.30648 2.33129 2.34189 2.35025 2.35339 2.36421 2.37074 2.39805 2.40632 2.41601 2.42251 2.42764 2.43063 2.46680 2.47278 2.48566 2.49173 2.50602 2.51368 2.52166 2.52819 2.53866 2.54505 2.55640 2.58331 2.58642 2.59250 2.60949 2.61809 2.64285 2.64950 2.66133 2.66493 2.67130 2.68387 2.69241 2.69425 2.70494 2.70962 2.71912 2.73170 2.73575 2.74399 2.74787 2.75447 2.75898 2.76360 2.77299 2.78083 2.78229 2.78389 2.79032 2.79920 2.80232 2.81423 2.82405 2.83038 2.83752 2.84551 2.84880 2.85772 2.86367 2.87344 2.87894 2.88600 2.89107 2.90170 2.90810 2.91759 2.92239 2.94305 2.95437 2.96099 2.96192 2.96813 2.98631 2.98696 3.00802 3.01603 3.02441 3.03974 3.07246 3.08293 3.09326 3.09917 3.11693 3.11995 3.13108 3.14422 3.15364 3.16779 3.18816 3.19850 3.20133 3.21297 3.22249 3.24625 3.25831 3.26766 3.29292 3.29680 3.31832 3.34972 3.37865 3.38137 3.38719 3.40270 3.40711 3.43989 3.46441 3.46864 3.53849 3.55398 3.56072 3.60027 3.61434 3.63491 3.67039 3.68226 3.70107 3.72448 3.73795 3.74512 3.80133 3.82519 3.84492 3.85221 3.86990 3.90798 3.96402 4.00139 4.01483 4.02248 4.02889 4.04475 4.09536 4.13228 4.15832 4.16305 4.16875 4.17936 4.18937 4.23869 4.26671 4.34099 4.37827 4.56095 4.58902 4.66351 4.85376 4.86527 5.10341 5.13246 5.14149 5.24424 5.44388 5.45050 5.68244 5.89409 5.91995 9.76414 9.83389 23.52714 23.59755 23.63255 23.78989 23.82958 23.89296 23.91177 23.96273 23.96430 23.98220 23.99218 24.00703 24.01924 24.03106 24.09431 24.09754 24.11158 24.12205 24.20363 24.20681 24.22080 24.36268 25.82243 25.97023 25.98934 26.19259 26.55071 26.62383 35.88097 49.93708 49.98776 50.02168 215.75530 215.83652 1-A. 2.3841 -2.4393 -1.5849 3.7611 -178.1893 -203.3727 -171.9418 12.4764 24.8355 -23.4644 6.3119 -18.8714 12.5595 12.4764 24.8355 -23.4644 58.4080 -103.1162 -26.7321 32.9176 10.0798 -27.7425 -14.1019 -30.8576 -44.0651 51.4623 -8191.4677 -5847.1219 -2794.6223 261.1959 240.8480 38.4185 -320.9807 163.4169 -131.7602 -2255.6664 -1740.0494 -1279.9309 -155.2137 117.9606 100.2023 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 397.1462999999997 AuxInfo=1/0/N:7;8;9;10;11;12;13;14;15;16;17;18;19;20;21;22;23;24;25;26;27;28;1;2;6;3;4;5;29;30;31;32;33;34;35;36;37;38;39;40;41;42;43;44;45;46;47/rA:47nCl0Cl0O0O0O0N0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:1.808,.2765,2.651;4.0384,-1.5356,3.2208;-1.5874,-1.2984,.0246;-2.1354,-3.485,-.0175;-.9835,3.5541,-.8412;-3.8745,-1.4862,-2.4947;1.0987,-2.3528,-1.1042;1.1809,-1.7349,.2712;.1712,-2.863,.0101;.5488,-1.496,-2.2283;2.1611,-3.3307,-1.5681;2.306,-1.9772,1.1871;-1.2826,-2.6163,.0081;2.6586,-1.1852,2.1977;-2.9668,-.89,-.1027;-2.9859,.6098,.118;-3.4674,-1.2418,-1.4428;-2.0145,1.3819,-.5186;-3.9232,1.1988,.9624;-1.9532,2.746,-.2649;-3.876,2.5801,1.1688;-2.8898,3.3583,.5689;.2024,2.9387,-1.2632;1.0223,2.2911,-.3413;.5453,3.0199,-2.6067;2.2033,1.7005,-.7828;1.7388,2.4357,-3.0363;2.5649,1.7719,-2.1298;.7299,-.7542,.3437;.4161,-3.8479,.3869;.0615,-2.125,-2.9793;1.372,-.9635,-2.7124;-.1694,-.7567,-1.8801;1.7688,-3.9362,-2.3901;2.4876,-4.0101,-.7796;3.0344,-2.7842,-1.9377;2.9072,-2.8667,1.0385;-3.5833,-1.4064,.6362;-1.297,.9179,-1.1795;-4.6707,.5913,1.4586;-4.6001,3.0506,1.8235;-2.8282,4.4249,.748;.7214,2.2378,.6974;-.1183,3.5246,-3.2984;2.8384,1.181,-.0745;2.0132,2.4918,-4.0834;3.483,1.3076,-2.4704; 0.000000 2.929728 0.000000 4.572387 6.474744 0.000000 6.067877 7.238990 2.254568 0.000000 5.543484 8.223421 4.966000 7.180104 0.000000 7.866062 9.761352 3.407747 3.627177 6.041189 0.000000 4.638659 5.292958 3.098549 3.594779 6.268664 5.236161 0.000000 3.178356 4.111652 2.813302 3.760868 5.821918 5.767904 1.510047 0.000000 4.416956 5.198728 2.353816 2.389105 6.575450 4.953447 1.536972 1.536373 0.000000 5.341715 6.470830 3.110899 4.006106 5.456662 4.431321 1.516614 2.589175 2.649821 0.000000 5.562115 5.448031 4.551692 4.570373 7.603751 6.378779 1.516620 2.625001 2.582528 2.530086 0.000000 2.733099 2.707852 4.119547 4.842588 6.747536 7.210752 2.616953 1.470867 2.593769 3.870884 3.073148 0.000000 4.990468 6.309015 1.352730 1.217567 6.235725 3.776067 2.641503 2.629680 1.474579 3.100104 3.854117 3.831062 0.000000 1.750858 1.753165 4.771120 5.760050 6.705253 8.049223 3.833891 2.489394 3.713200 4.912915 4.362572 1.331476 4.730298 0.000000 5.634041 7.780561 1.444292 2.726291 4.922263 2.626925 4.435287 4.249408 3.708442 4.152726 5.865184 5.536131 2.414332 6.084796 0.000000 5.432166 7.973197 2.367679 4.184336 3.687689 3.465380 5.191844 4.783640 4.694549 4.736451 6.697942 5.986636 3.649752 6.277549 1.516013 0.000000 6.847860 8.841547 2.385517 2.972811 5.434341 1.154119 4.711516 4.978678 4.240040 4.100182 6.004907 6.386624 2.960961 7.126268 1.473100 2.469050 0.000000 5.087195 7.689837 2.768021 4.894162 2.425946 3.948493 4.897308 4.533079 4.803753 4.216184 6.383280 5.732348 4.098653 5.983840 2.498308 1.394739 3.138315 0.000000 6.045482 8.715758 3.545617 5.108193 4.176400 4.377541 6.488754 5.927506 5.845344 6.118892 7.996118 6.995690 4.736841 7.108361 2.532166 1.392214 3.456732 2.422797 0.000000 5.361667 8.147541 4.071295 6.238604 1.387553 5.155089 6.001401 5.494382 6.004128 5.301848 7.453349 6.523620 5.410989 6.541224 3.778159 2.403545 4.425275 1.388835 2.789509 0.000000 6.309618 9.153608 4.646557 6.420494 3.654502 5.473244 7.365365 6.707994 6.881113 6.908996 8.881193 7.680281 5.922479 7.611662 3.805937 2.403908 4.647012 2.783562 1.397526 2.404253 0.000000 5.991763 8.887219 4.865932 6.909619 2.379197 5.815821 7.164047 6.526765 6.955951 6.573563 8.649868 7.472946 6.212293 7.353934 4.301687 2.786896 5.053810 2.419605 2.426163 1.395440 1.392139 0.000000 4.998609 7.405488 4.776526 6.948472 1.401082 6.141432 5.369277 5.015389 5.939871 4.551722 6.575356 5.881742 5.888952 5.917551 5.103893 4.182993 5.565636 2.809379 5.000106 2.383297 4.761989 3.618550 0.000000 3.691852 6.035706 4.452988 6.590841 2.422407 6.548526 4.706795 4.075380 5.235708 4.257584 5.865741 4.711904 5.432995 4.605303 5.107780 4.370793 5.818228 3.174913 5.229758 3.010995 5.133920 4.155872 1.393372 0.000000 6.063302 8.180137 5.488166 7.496936 2.395687 6.312819 5.606259 5.594101 6.449500 4.531751 6.634751 6.516397 6.476517 6.725402 5.821693 5.069772 5.968118 3.687213 6.001840 3.435264 5.830565 4.690217 1.388923 2.427051 0.000000 3.738308 5.465247 4.900491 6.804357 3.687152 7.072822 4.213365 3.735999 5.058015 3.878664 5.092264 4.173232 5.604638 4.173462 5.822686 5.378643 6.422569 4.238090 6.389957 4.317171 6.445233 5.524036 2.401625 1.392373 2.795802 0.000000 6.083706 7.759556 5.863043 7.692609 3.671472 6.868922 5.203076 5.351967 6.309771 4.186480 5.965289 6.134430 6.627146 6.430477 6.465912 5.967100 6.570125 4.640671 7.041065 4.626759 7.016338 5.938971 2.399433 2.792325 1.396522 2.415445 0.000000 5.066053 6.460644 5.595498 7.361348 4.174662 7.225887 4.496062 4.469600 5.638358 3.840989 5.149253 5.012368 6.215320 5.242161 6.464883 6.100430 6.778097 4.870215 7.210085 4.983951 7.281446 6.289109 2.773812 2.418276 2.421548 1.396494 1.394570 0.000000 2.747330 4.453656 2.401615 3.974623 4.785450 5.458245 2.188192 1.081874 2.206947 2.682956 3.513151 2.165919 2.762320 2.709787 3.726057 3.964649 4.587620 3.583034 5.084030 4.452030 5.745639 5.483098 4.061751 3.135040 4.794021 3.076586 4.755745 3.983284 0.000000 4.906563 5.147827 3.262666 2.608660 7.632612 5.682422 2.219159 2.250231 1.082626 3.519685 2.671090 2.777083 2.132136 3.924060 4.520322 5.613992 5.022008 5.837743 6.680511 7.036954 7.768752 7.930378 6.987649 6.211748 7.493036 5.945365 7.276739 6.521771 3.109961 0.000000 6.365325 7.389527 3.524992 3.930479 6.157602 4.016855 2.154954 3.459914 3.081097 1.094184 2.802355 4.734803 3.312516 5.867653 4.355602 5.134195 3.948963 4.760686 6.516346 5.929123 7.406086 7.167047 5.348530 5.233037 5.181086 4.903713 4.859653 4.708978 3.656316 3.798055 0.000000 5.522106 6.530008 4.044876 5.091390 5.427551 5.276883 2.142723 3.087623 3.530158 1.093380 2.745123 4.135940 4.144850 5.080729 5.063709 5.429373 5.010846 4.667147 6.798399 5.550462 7.427163 6.899787 4.323859 4.041934 4.069700 3.392845 3.434210 3.040552 3.129892 4.340420 1.771316 0.000000 5.050546 6.658258 2.435567 3.844272 4.508267 3.825880 2.181282 2.721816 2.850521 1.087979 3.486302 4.126132 2.874517 4.980932 3.317004 3.713837 3.362024 3.135560 5.098457 4.249651 5.845431 5.507306 3.764931 3.616212 3.911683 3.587671 3.894686 3.732594 2.398786 3.877885 1.770335 1.763903 0.000000 6.569649 6.511260 4.904317 4.590821 8.128886 6.153056 2.147023 3.503420 3.076536 2.732997 1.093680 4.113693 4.099346 5.422850 6.077653 7.040180 5.964458 6.789611 8.366934 7.938644 9.326980 9.146974 7.140631 6.598080 7.066267 5.877452 6.404645 5.769231 4.321874 3.090144 2.557802 3.016361 3.758511 0.000000 5.532174 4.952924 4.960355 4.714726 8.322787 7.056035 2.186516 2.826347 2.702838 3.489727 1.090871 2.834334 4.096069 4.107701 6.320140 7.218606 6.600373 7.029300 8.441824 8.101270 9.366042 9.220998 7.330899 6.484167 7.518775 5.717623 6.870302 5.938027 3.866844 2.382885 3.778628 3.776527 4.342313 1.765167 0.000000 5.650421 5.401602 5.236249 5.559188 7.584148 7.051732 2.151140 3.068462 3.463790 2.814569 1.094420 3.308435 4.738203 4.449619 6.555113 7.210336 6.700476 6.697886 8.525348 7.632645 9.283298 8.894265 6.420834 5.688226 6.350687 4.704964 5.489325 4.584248 3.825774 3.659285 3.218255 2.584333 3.791887 1.770148 1.772808 0.000000 3.699699 2.795376 4.867106 5.188935 7.739319 7.770477 2.850555 2.202260 2.922938 4.255879 2.750732 1.083868 4.321945 2.057403 6.301925 6.903770 7.030802 6.685708 7.949058 7.538234 8.700392 8.519115 6.805639 5.662142 7.315619 4.967056 6.788521 5.627761 3.112281 2.755588 4.979027 4.477561 4.736675 3.767615 2.188330 2.980021 0.000000 5.996413 8.049092 2.090331 2.616163 5.792069 3.145468 5.083921 4.789443 4.075494 5.028710 6.446733 5.942503 2.674223 6.438037 1.092143 2.165680 2.088743 3.401408 2.647382 4.551053 4.032585 4.815326 6.067892 5.986524 6.866871 6.719476 7.521484 7.453370 4.372000 4.692358 5.183976 5.997024 4.290552 6.648575 6.755706 7.233028 6.664897 0.000000 4.972410 7.338231 2.538949 4.630190 2.676230 3.761992 4.054968 3.909166 4.226779 3.214628 5.491817 5.192667 3.728415 5.610281 2.686304 2.152007 3.073128 1.080262 3.400509 2.146894 3.863804 3.398405 2.517730 2.822660 3.138367 3.608617 3.868706 4.067756 3.037141 5.301065 3.787403 3.607341 2.136920 5.867462 6.226406 5.748137 6.076019 3.731808 0.000000 6.595020 9.136670 3.890312 5.022230 5.259522 4.536360 6.965790 6.407992 6.121601 6.722603 8.439013 7.439464 4.885872 7.577670 2.745019 2.153098 3.636800 3.404377 1.083503 3.872769 2.161235 3.408706 6.055205 6.207980 7.044929 7.314818 8.042784 8.162374 5.676220 6.835998 7.033341 7.505250 5.764173 8.762312 8.799073 9.071757 8.340205 2.418586 4.295129 0.000000 7.031630 9.879775 5.588058 7.223377 4.520405 6.305184 8.381196 7.663538 7.811738 7.974923 9.896336 8.566068 6.812814 8.412520 4.680351 3.386974 5.511440 3.867164 2.151486 3.385333 1.083609 2.143359 5.709997 6.072417 6.789865 7.409613 8.011014 8.282566 6.713730 8.649571 8.460780 8.506053 6.916837 10.350467 10.337511 10.318713 9.591125 4.723114 4.947401 2.487162 0.000000 6.505744 9.422998 5.900801 7.976969 2.585883 6.822797 8.049133 7.364953 7.915405 7.437693 9.508242 8.218214 7.246686 7.979948 5.384311 3.870016 6.108970 3.394973 3.413642 2.147138 2.162893 1.083320 3.929114 4.534933 4.960644 5.923011 6.255762 6.663756 6.296485 8.893555 8.071251 7.658379 6.389405 10.044306 10.086617 9.672303 9.281501 5.881028 4.284724 4.312318 2.487003 0.000000 2.973837 5.622156 4.276475 6.436043 2.647016 6.721592 4.945883 4.021776 5.176205 4.746641 6.181711 4.529509 5.296565 4.209554 4.901688 4.090325 5.850989 3.113916 4.766765 2.887542 4.634191 3.783202 2.145856 1.082730 3.399968 2.162383 3.874863 3.407157 3.012794 6.101301 5.743539 4.722151 4.050184 6.981988 6.658592 6.124863 5.563250 5.640426 3.055988 5.689053 5.499752 4.169613 0.000000 7.046716 9.240395 6.038360 7.997949 2.605260 6.313629 6.390585 6.487809 7.199368 5.176519 7.428621 7.501077 7.070985 7.752463 6.149363 5.328382 6.113733 3.989206 6.167737 3.629726 5.913407 4.760742 2.142040 3.401041 1.083330 3.878894 2.168685 3.411364 5.682630 8.259591 5.661469 4.765214 4.510329 7.749187 8.361011 7.182753 8.295248 7.197353 3.560030 7.208141 6.822397 4.952530 4.281113 0.000000 3.050919 4.436160 5.073938 6.820072 4.563511 7.617969 4.071197 3.371812 4.845132 4.128823 4.800571 3.442257 5.604398 3.285466 6.163635 5.855423 6.892363 4.877283 6.840599 5.044232 6.970365 6.161623 3.383896 2.145135 3.879633 1.083872 3.399305 2.155951 2.892346 5.600996 5.203741 3.702454 4.007690 5.717721 5.250522 4.385559 4.198541 6.959719 4.288535 7.686631 7.901155 6.580942 2.488778 4.962654 0.000000 7.092379 8.583347 6.648732 8.334564 4.540969 7.280981 5.760427 6.125357 6.987401 4.635572 6.344309 6.916321 7.327732 7.306804 7.216857 6.796007 7.137879 5.491995 7.897636 5.511576 7.891533 6.814215 3.381187 3.876297 2.148122 3.399468 1.083977 2.153916 5.637633 7.920023 5.132573 3.772284 4.491192 6.651843 7.308572 5.786509 7.466397 8.294078 4.676239 8.888201 8.884781 7.107618 4.958799 2.495219 4.297734 0.000000 5.486075 6.386094 6.222930 7.781522 5.258339 7.870060 4.577101 4.698122 5.874933 4.065475 4.906671 5.054881 6.652146 5.355798 7.213560 7.002424 7.474151 5.834151 8.163758 6.040268 8.307690 7.352149 3.857474 3.399311 3.403035 2.153992 2.152923 1.083695 4.444068 6.644521 4.873238 3.110158 4.236694 5.517506 5.668119 4.150689 5.483493 8.182250 4.966534 9.079237 9.317266 7.739907 4.304231 4.309296 2.484306 2.482856 0.000000 C22H19Cl2NO3 C1 1 C1 1 C1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 397.1462999999997 AuxInfo=1/0/N:7;8;9;10;11;12;13;14;15;16;17;18;19;20;21;22;23;24;25;26;27;28;1;2;6;3;4;5;29;30;31;32;33;34;35;36;37;38;39;40;41;42;43;44;45;46;47/rA:47nCl0Cl0O0O0O0N0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:2.182,-1.1912,-2.1006;5.0566,-.7366,-1.7642;-.6784,1.8817,-.2889;-.1023,4.0503,-.0688;-2.7584,-2.6203,-.0317;-3.2532,3.199,1.5133;1.6837,1.4615,1.672;1.8842,.8775,.2939;1.5088,2.3604,.4376;.4747,.9993,2.4624;2.8793,1.7814,2.5485;3.2097,.5213,-.2348;.1943,2.8719,.0078;3.4367,-.3464,-1.2189;-2.0475,2.2167,-.6038;-2.7082,.9253,-1.0444;-2.708,2.7785,.5871;-2.4736,-.2252,-.2916;-3.4977,.8779,-2.1901;-2.9933,-1.4393,-.7213;-4.052,-.344,-2.5813;-3.7966,-1.5071,-1.8602;-1.6206,-2.6764,.7839;-.3517,-2.5291,.2276;-1.7939,-2.9106,2.142;.7644,-2.6041,1.0568;-.6671,-2.9973,2.9622;.61,-2.8391,2.4247;1.0689,.2523,-.045;2.2958,3.0898,.2941;.1398,1.7916,3.1387;.7486,.1298,3.0661;-.3601,.715,1.8253;2.5894,2.5064,3.3144;3.7159,2.2031,1.9897;3.2234,.8742,3.0547;4.0815,.9931,.2034;-2.0799,2.9678,-1.396;-1.8674,-.1774,.6013;-3.67,1.7746,-2.7734;-4.6686,-.3939,-3.471;-4.1978,-2.4632,-2.1742;-.2516,-2.3384,-.8335;-2.7949,-3.0131,2.5435;1.7539,-2.4745,.634;-.7929,-3.1773,4.0237;1.4808,-2.893,3.0675; 0.1791172 0.1256140 0.1072624 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= 769 769 769 769 769 MxSgAt= 47 MxSgA2= 47. NPDir=0 NMtPBC= 1 NCelOv= 1 NCel= 1 NClECP= 1 NCelD= 1 NCelK= 1 NCelE2= 1 NClLst= 1 CellRange= 0.0. One-electron integrals computed using PRISM. One-electron integral symmetry used in STVInt NBasis= 746 RedAO= T EigKep= 1.13D-06 NBF= 746 NBsUse= 744 1.00D-06 EigRej= 7.68D-07 NBFU= 744 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= 769 769 769 769 769 MxSgAt= 47 MxSgA2= 47. 1 9.37969896e-01 -9.59678822e-01 -6.23541109e-01 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 17 17 8 8 8 7 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 -0.003799431 0.014400289 0.000107870 0.011115691 -0.005264134 0.009825317 0.010561162 0.007794827 0.003279554 -0.012234604 -0.012646225 -0.002657423 -0.002947576 0.012461696 -0.001443626 -0.001985706 -0.001297078 -0.008030424 0.003037679 -0.000218321 -0.006783928 0.003727364 0.007150379 0.004902926 -0.006328772 -0.006088228 0.003585690 -0.001308385 0.003762981 -0.002862480 0.002656982 -0.003923775 -0.000895451 -0.001791166 -0.004154662 -0.001897163 0.012806966 -0.001549059 0.003489373 -0.003496876 -0.003647352 -0.005042402 -0.011387552 0.003432761 -0.001560339 -0.000242893 -0.001049214 0.000189115 -0.000834313 0.000014403 0.003392174 0.002747245 -0.002174143 -0.004817130 -0.003940050 -0.002651151 0.002864500 -0.004851163 -0.004515812 0.004726069 -0.003117959 0.001833726 0.003452791 -0.000814389 0.005125402 0.001208642 0.006721878 -0.003113927 -0.003484567 0.000189779 -0.001898391 0.005428362 -0.002241559 0.003364402 -0.003224923 0.003097773 -0.003143822 0.003055956 0.001245091 0.001537199 -0.004862761 0.004512271 -0.001745914 -0.001618689 -0.000990547 -0.001022923 -0.000127497 -0.001149909 0.000491345 -0.000458511 -0.001053435 -0.001544821 -0.000937265 0.001948596 0.000559694 -0.000371030 -0.001323035 0.000135734 0.001886390 -0.001256166 -0.000640780 -0.001756013 0.000058254 -0.000359053 0.001471061 0.001630749 0.001532932 -0.000584229 0.000100709 -0.000215084 -0.000158382 0.002032400 -0.001077586 -0.000478873 -0.000078409 0.000270459 0.001167305 -0.000567266 -0.000817994 0.000458578 -0.000967446 0.000593539 0.001018213 0.001174744 0.000816639 -0.000660221 -0.001359063 0.000288879 -0.000217708 -0.001438685 0.000238285 0.000560198 0.000464992 -0.000949276 0.000866853 0.000389914 0.000462803 -0.001422424 0.001286116 -0.000559647 -0.000583477 0.014400289 0.004080574 (Enter /usr/local/gaussian/gaussian16/g16/l716.exe) Closed 1 1 1 -2050.96054538249 -2050.96054675313 -0.000001370638 -2050.96054674648 0.000000006650 -2050.96054677274 -0.000000026263 -2050.96054677352 -0.000000000783 -2050.96054677361 -0.000000000085 -2050.96054677409 -0.000000000479 -2050.96054677394 0.000000000144 -2050.96054677391 0.000000000035 -2050.96054677 9 2.043975997282e+03 -1.068188711398e+04 3.654814454504e+03 Using DIIS extrapolation, IDIIS= 1040. NGot= 1415577600 LenX= 1414364904 LenY= 1413765054 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) PT274639.800S Wed Oct 9 22:49:08 2024 Mulliken charges: 1 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 Cl Cl O O O N C C C C C C C C C C C C C C C C C C C C C C H H H H H H H H H H H H H H H H H H H 0.456513 0.500013 0.162296 -0.325838 -0.016351 -0.360811 0.233987 0.996507 -0.614495 -0.593867 -0.409970 -1.758331 0.003287 -0.329659 0.322307 0.896090 -0.386326 0.589278 -0.559036 -0.871829 -0.148127 -0.422472 -0.973908 0.445514 -0.037782 0.199623 -0.166885 -0.287096 0.219608 0.207266 0.173424 0.168285 0.152526 0.171588 0.155492 0.167065 0.197441 0.252540 0.222727 0.162993 0.172540 0.169098 0.187102 0.164925 0.183361 0.168211 0.161175 -0.00000 -101.57410 -101.57286 -19.19255 -19.17279 -19.13330 -14.33607 -10.32631 -10.29204 -10.28889 -10.24934 -10.24108 -10.23586 -10.20917 -10.20684 -10.20183 -10.20018 -10.19974 -10.18613 -10.18450 -10.18346 -10.18335 -10.18105 -10.18088 -10.18014 -10.17998 -10.17630 -10.16037 -10.15755 -9.48877 -9.48720 -7.25353 -7.25207 -7.24346 -7.24316 -7.24183 -7.24165 -1.13419 -1.08686 -1.04533 -0.93543 -0.92461 -0.89556 -0.88033 -0.86318 -0.84462 -0.81718 -0.77475 -0.77045 -0.75764 -0.75339 -0.73977 -0.72722 -0.69331 -0.67346 -0.64643 -0.62627 -0.62122 -0.61455 -0.59508 -0.58215 -0.56070 -0.55254 -0.54649 -0.52131 -0.51036 -0.50669 -0.49501 -0.48953 -0.48561 -0.48101 -0.47869 -0.46223 -0.45885 -0.44828 -0.44517 -0.43694 -0.43335 -0.42721 -0.42137 -0.41705 -0.41282 -0.40584 -0.40201 -0.39813 -0.39295 -0.38656 -0.38206 -0.38009 -0.37598 -0.37169 -0.36720 -0.36382 -0.35791 -0.35280 -0.34927 -0.34433 -0.33933 -0.33854 -0.33631 -0.33389 -0.32289 -0.30961 -0.28929 -0.27233 -0.26496 -0.26234 -0.24748 -0.23815 -0.04452 -0.03648 -0.02588 -0.02140 -0.01886 -0.01389 -0.00988 0.00016 0.00159 0.00892 0.01436 0.01549 0.01879 0.02018 0.02769 0.03270 0.03534 0.03693 0.03889 0.04426 0.04749 0.05322 0.05454 0.05712 0.06162 0.06593 0.06706 0.07136 0.07390 0.07787 0.08224 0.08375 0.08777 0.09227 0.09389 0.09702 0.09812 0.10114 0.10382 0.10550 0.10868 0.11084 0.11319 0.11739 0.12064 0.12104 0.12264 0.12561 0.12735 0.13050 0.13490 0.13770 0.13853 0.14254 0.14311 0.14645 0.14653 0.15290 0.15388 0.15661 0.15904 0.16141 0.16393 0.16584 0.16730 0.17000 0.17352 0.17690 0.18083 0.18245 0.18341 0.18675 0.18880 0.19019 0.19361 0.19775 0.19871 0.20140 0.20324 0.20531 0.20721 0.21110 0.21439 0.21590 0.21802 0.21881 0.22259 0.22415 0.22578 0.22872 0.22949 0.23135 0.23294 0.23462 0.23638 0.23937 0.24155 0.24335 0.24542 0.24802 0.24947 0.25205 0.25273 0.25613 0.25927 0.26086 0.26491 0.26503 0.26930 0.26947 0.27214 0.27313 0.27528 0.27714 0.28035 0.28529 0.28593 0.28919 0.29101 0.29445 0.29536 0.30092 0.30355 0.30575 0.30911 0.31387 0.31437 0.31776 0.32067 0.32570 0.32937 0.33147 0.33310 0.33613 0.34003 0.34217 0.34358 0.34611 0.35033 0.35536 0.35785 0.35923 0.36430 0.36848 0.37121 0.37309 0.37878 0.38038 0.38581 0.39146 0.39451 0.39722 0.40705 0.41057 0.41258 0.42493 0.42560 0.42868 0.43475 0.44618 0.45295 0.45434 0.46188 0.46486 0.47437 0.47926 0.48525 0.48779 0.49446 0.50006 0.50161 0.50874 0.51011 0.52943 0.53539 0.53913 0.54680 0.54963 0.55580 0.56462 0.56901 0.57172 0.57342 0.57515 0.57783 0.58608 0.58927 0.59579 0.59916 0.60231 0.60391 0.61053 0.61919 0.62604 0.62950 0.63450 0.63822 0.64135 0.64511 0.64853 0.65641 0.66025 0.66433 0.66850 0.66985 0.67299 0.67697 0.68123 0.68409 0.68617 0.69258 0.69675 0.70032 0.70300 0.70578 0.70954 0.71126 0.71599 0.72141 0.72544 0.73046 0.73293 0.73571 0.74226 0.74402 0.74720 0.75156 0.75306 0.75510 0.76081 0.76633 0.77057 0.77437 0.77987 0.78715 0.78845 0.79741 0.80089 0.80430 0.80762 0.81431 0.82354 0.82828 0.83297 0.83531 0.84151 0.84404 0.84783 0.85022 0.85710 0.86371 0.86545 0.86972 0.87589 0.88177 0.88959 0.89657 0.90260 0.90824 0.91365 0.91682 0.92598 0.93248 0.93746 0.94142 0.94419 0.94945 0.95568 0.95977 0.96261 0.96350 0.97066 0.97892 0.98469 0.99009 0.99498 0.99881 1.00559 1.00690 1.01550 1.02143 1.03172 1.04291 1.05109 1.05538 1.06049 1.06946 1.06999 1.07192 1.08276 1.08977 1.09338 1.10260 1.11287 1.12352 1.12580 1.13601 1.14457 1.14955 1.16211 1.16665 1.17883 1.18260 1.18779 1.19315 1.20875 1.21610 1.22582 1.23080 1.24719 1.26021 1.26297 1.28266 1.29227 1.29513 1.30761 1.32095 1.32484 1.33108 1.34048 1.36108 1.37555 1.38562 1.39955 1.40534 1.40705 1.42500 1.43820 1.45253 1.45422 1.46444 1.47768 1.47869 1.48684 1.49655 1.51248 1.51908 1.52594 1.53118 1.53532 1.53911 1.54864 1.55183 1.55731 1.56083 1.56959 1.57372 1.57882 1.58556 1.59020 1.59563 1.60410 1.61316 1.61892 1.62244 1.62910 1.63612 1.64561 1.64897 1.65873 1.66376 1.67206 1.68170 1.68722 1.68944 1.69262 1.69450 1.70602 1.71414 1.72072 1.73192 1.73800 1.74349 1.75302 1.75690 1.76058 1.76780 1.77868 1.78720 1.79572 1.80121 1.81562 1.81760 1.82176 1.82690 1.84431 1.84858 1.85694 1.85770 1.86343 1.88086 1.89022 1.89196 1.90631 1.91718 1.92163 1.93063 1.93232 1.93611 1.94259 1.94952 1.95766 1.96668 1.97076 1.98219 1.98972 1.99521 2.00210 2.00468 2.01184 2.02680 2.03041 2.03662 2.04208 2.04533 2.05476 2.06166 2.06962 2.08543 2.08909 2.09474 2.09683 2.10243 2.10470 2.11398 2.12986 2.13518 2.15883 2.17327 2.19173 2.21119 2.21364 2.23190 2.23267 2.23579 2.24026 2.26513 2.26946 2.27292 2.28648 2.30878 2.32206 2.33643 2.33891 2.34695 2.36079 2.37073 2.39104 2.40300 2.41350 2.42052 2.42650 2.44409 2.46313 2.47589 2.48042 2.49202 2.49630 2.50649 2.51501 2.52577 2.53942 2.54322 2.55391 2.57562 2.58206 2.58909 2.60170 2.61141 2.62994 2.64313 2.65096 2.65910 2.67282 2.67663 2.68980 2.69904 2.70780 2.71381 2.72193 2.73333 2.74043 2.74835 2.75768 2.76355 2.76758 2.77204 2.77323 2.77707 2.78401 2.79028 2.79565 2.80535 2.80766 2.80906 2.81800 2.82648 2.83316 2.83873 2.84827 2.85288 2.86574 2.87110 2.88362 2.88967 2.89500 2.90023 2.90807 2.91252 2.93221 2.94176 2.94623 2.95505 2.96426 2.97182 2.98040 2.99018 3.00186 3.01103 3.01995 3.03816 3.05299 3.05955 3.07565 3.09890 3.10334 3.11143 3.11558 3.14451 3.15015 3.16159 3.17084 3.17262 3.18106 3.18928 3.20640 3.22185 3.24576 3.26446 3.26689 3.29592 3.30899 3.33721 3.35886 3.36305 3.38172 3.38557 3.40182 3.41434 3.44866 3.46421 3.52831 3.54790 3.55959 3.58243 3.59437 3.62968 3.65603 3.66665 3.67420 3.71123 3.71851 3.73501 3.80179 3.82234 3.83985 3.85821 3.86813 3.89679 3.96133 3.99692 4.00739 4.01959 4.02440 4.03855 4.09344 4.13125 4.14370 4.15552 4.15910 4.18036 4.18264 4.22953 4.24372 4.32109 4.36044 4.53464 4.56927 4.65327 4.84165 4.85281 5.09984 5.12978 5.15445 5.23420 5.43225 5.44357 5.65145 5.86524 5.87761 9.75777 9.82619 23.52940 23.60250 23.63144 23.77979 23.80967 23.86341 23.88965 23.94482 23.95863 23.96735 23.98275 23.99420 24.01552 24.02985 24.07104 24.08004 24.09403 24.09978 24.18133 24.18456 24.19659 24.34534 25.83959 25.95864 25.98770 26.21644 26.54556 26.59665 35.86977 49.93644 49.98434 50.01102 215.74887 215.82883 1-A. Mulliken charges: 1 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 Cl Cl O O O N C C C C C C C C C C C C C C C C C C C C C C H H H H H H H H H H H H H H H H H H H 0.360989 0.547213 0.140092 -0.329129 -0.020846 -0.350839 0.092772 0.893806 -0.409236 -0.520869 -0.379190 -1.539898 -0.085601 -0.378736 0.355516 0.628424 -0.409725 0.980935 -0.482440 -0.780035 -0.223035 -0.674401 -0.411034 0.117127 -0.245024 0.085785 -0.040488 -0.389103 0.201258 0.207523 0.172482 0.176847 0.141044 0.174510 0.158449 0.172079 0.198948 0.254555 0.225650 0.162328 0.175252 0.170794 0.181730 0.169476 0.189459 0.170028 0.164558 -0.00000 1.19209532e+00 -1.06742675e+00 -1.10315136e-01 ./ancestor::cml:module[@dictRef='cc:finalization']/cml:molecule[@id='mol9999'] 3.0300 -2.7131 -0.2804 4.0768 -180.0222 -210.2519 -167.4376 15.2122 28.4925 -13.9560 5.8817 -24.3480 18.4663 15.2122 28.4925 -13.9560 60.7013 -94.4284 0.2290 62.3822 -6.4919 -43.8538 -19.3653 -25.0887 -38.4734 42.8830 -7754.6295 -5553.8670 -2892.8355 266.9428 348.9891 148.4168 -96.3525 129.4298 -113.8289 -2143.7582 -1681.8485 -1233.0875 -126.8676 156.5367 88.9893 (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A) (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A) (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A) (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(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 -2050.9605468 3.326E-9 3.03E-6 2.4583389,-2.6437772,0.1854383,-19.1777744,-23.9707615,-1.7452345 C01 [X(C22H19Cl2N1O3)] 1.4837263 0.3745687 0.4805362 -0.000004562 -0.000001235 0.000004573 -0.000002371 -0.000003639 0.000007467 -0.000007016 0.000000110 -0.000003610 -0.000002829 0.000001989 -0.000002439 0.000003474 0.000005705 -0.000001527 0.000000038 0.000002210 -0.000004167 -0.000000948 -0.000004203 -0.000003706 -0.000003438 0.000000480 0.000008289 0.000007217 0.000001689 -0.000000760 0.000000714 0.000002136 0.000000199 -0.000000751 -0.000001842 0.000002328 -0.000003729 0.000000157 0.000002938 -0.000003800 0.000002503 -0.000001209 -0.000005222 -0.000004002 -0.000004743 0.000004021 0.000001366 0.000000651 -0.000000563 0.000002686 -0.000003274 0.000002221 0.000001184 -0.000006588 0.000000772 -0.000000413 -0.000001410 -0.000000707 0.000004702 -0.000003135 -0.000004090 -0.000003092 0.000001237 -0.000001035 -0.000000929 -0.000003570 0.000003353 0.000002941 -0.000004290 0.000006255 -0.000001951 -0.000003965 0.000003048 -0.000002294 0.000002385 0.000000008 0.000001905 0.000004127 -0.000000699 -0.000000131 0.000005174 0.000007947 -0.000003195 0.000002846 0.000001644 0.000000409 -0.000000350 -0.000001729 -0.000000837 0.000000687 -0.000005368 -0.000001279 0.000000656 0.000001134 -0.000000171 0.000000244 0.000001587 -0.000001304 0.000001293 0.000001474 -0.000000412 -0.000000196 0.000000011 -0.000000942 0.000000920 -0.000003318 -0.000001911 0.000001419 -0.000001025 -0.000001367 0.000003908 -0.000003229 -0.000001839 0.000004084 -0.000002399 0.000002373 -0.000003828 0.000001464 0.000001063 -0.000001486 -0.000001725 0.000002010 -0.000005203 -0.000000606 0.000002580 -0.000004497 0.000001291 0.000001234 -0.000002330 -0.000000366 0.000000507 0.000000725 0.000005217 -0.000000106 0.000000478 0.000000414 -0.000002100 0.000002614 0.000005233 -0.000000794 0.000002583 0.000002988 -0.000001952 0.000004459 397.1462999999997 AuxInfo=1/0/N:7;8;9;10;11;12;13;14;15;16;17;18;19;20;21;22;23;24;25;26;27;28;1;2;6;3;4;5;29;30;31;32;33;34;35;36;37;38;39;40;41;42;43;44;45;46;47/rA:47nCl0Cl0O0O0O0N0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:1.808,.2765,2.651;4.0384,-1.5356,3.2208;-1.5874,-1.2984,.0246;-2.1354,-3.485,-.0175;-.9835,3.5541,-.8412;-3.8745,-1.4862,-2.4947;1.0987,-2.3528,-1.1042;1.1809,-1.7349,.2712;.1712,-2.863,.0101;.5488,-1.496,-2.2283;2.1611,-3.3307,-1.5681;2.306,-1.9772,1.1871;-1.2826,-2.6163,.0081;2.6586,-1.1852,2.1977;-2.9668,-.89,-.1027;-2.9859,.6098,.118;-3.4674,-1.2418,-1.4428;-2.0145,1.3819,-.5186;-3.9232,1.1988,.9624;-1.9532,2.746,-.2649;-3.876,2.5801,1.1688;-2.8898,3.3583,.5689;.2024,2.9387,-1.2632;1.0223,2.2911,-.3413;.5453,3.0199,-2.6067;2.2033,1.7005,-.7828;1.7388,2.4357,-3.0363;2.5649,1.7719,-2.1298;.7299,-.7542,.3437;.4161,-3.8479,.3869;.0615,-2.125,-2.9793;1.372,-.9635,-2.7124;-.1694,-.7567,-1.8801;1.7688,-3.9362,-2.3901;2.4876,-4.0101,-.7796;3.0344,-2.7842,-1.9377;2.9072,-2.8667,1.0385;-3.5833,-1.4064,.6362;-1.297,.9179,-1.1795;-4.6707,.5913,1.4586;-4.6001,3.0506,1.8235;-2.8282,4.4249,.748;.7214,2.2378,.6974;-.1183,3.5246,-3.2984;2.8384,1.181,-.0745;2.0132,2.4918,-4.0834;3.483,1.3076,-2.4704; Gaussian 16 GINC-CIBELES05 APULGAR Optimization Cypermethrin-theta CONF41 water EM64L-G16RevC.01 135 C1[X(C22H19Cl2NO3)] RB3LYP 6-311+G(d,p) Freq #P Geom=AllCheck Guess=TCheck SCRF=Check GenChk RB3LYP/6-311+G(d,p) Freq 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 397.1462999999997 AuxInfo=1/0/N:7;8;9;10;11;12;13;14;15;16;17;18;19;20;21;22;23;24;25;26;27;28;1;2;6;3;4;5;29;30;31;32;33;34;35;36;37;38;39;40;41;42;43;44;45;46;47/rA:47nCl0Cl0O0O0O0N0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:1.808,.2765,2.651;4.0384,-1.5356,3.2208;-1.5874,-1.2984,.0246;-2.1354,-3.485,-.0175;-.9835,3.5541,-.8412;-3.8745,-1.4862,-2.4947;1.0987,-2.3528,-1.1042;1.1809,-1.7349,.2712;.1712,-2.863,.0101;.5488,-1.496,-2.2283;2.1611,-3.3307,-1.5681;2.306,-1.9772,1.1871;-1.2826,-2.6163,.0081;2.6586,-1.1852,2.1977;-2.9668,-.89,-.1027;-2.9859,.6098,.118;-3.4674,-1.2418,-1.4428;-2.0145,1.3819,-.5186;-3.9232,1.1988,.9624;-1.9532,2.746,-.2649;-3.876,2.5801,1.1688;-2.8898,3.3583,.5689;.2024,2.9387,-1.2632;1.0223,2.2911,-.3413;.5453,3.0199,-2.6067;2.2033,1.7005,-.7828;1.7388,2.4357,-3.0363;2.5649,1.7719,-2.1298;.7299,-.7542,.3437;.4161,-3.8479,.3869;.0615,-2.125,-2.9793;1.372,-.9635,-2.7124;-.1694,-.7567,-1.8801;1.7688,-3.9362,-2.3901;2.4876,-4.0101,-.7796;3.0344,-2.7842,-1.9377;2.9072,-2.8667,1.0385;-3.5833,-1.4064,.6362;-1.297,.9179,-1.1795;-4.6707,.5913,1.4586;-4.6001,3.0506,1.8235;-2.8282,4.4249,.748;.7214,2.2378,.6974;-.1183,3.5246,-3.2984;2.8384,1.181,-.0745;2.0132,2.4918,-4.0834;3.483,1.3076,-2.4704; Optimization Cypermethrin-theta CONF41 water Redundant internal coordinates found in file. (old form). 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 35 35 16 16 16 14 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 34.9688527 34.9688527 15.9949146 15.9949146 15.9949146 14.0030740 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 3 3 0 0 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 14.2400000 14.2400000 5.6000000 5.6000000 5.6000000 4.5500000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 (Enter /usr/local/gaussian/gaussian16/g16/l101.exe) Structure from the checkpoint file: "opt-b3lyp-pople.chk" Berny optimization. R1 R2 R3 R4 R5 R6 R7 R8 R9 R10 R11 R12 R13 R14 R15 R16 R17 R18 R19 R20 R21 R22 R23 R24 R25 R26 R27 R28 R29 R30 R31 R32 R33 R34 R35 R36 R37 R38 R39 R40 R41 R42 R43 R44 R45 R46 R47 R48 R49 1 2 3 3 4 5 5 6 7 7 7 7 8 8 8 9 9 10 10 10 11 11 11 12 12 15 15 15 16 16 18 18 19 19 20 21 21 22 23 23 24 24 25 25 26 26 27 27 28 14 14 13 15 13 20 23 17 8 9 10 11 9 12 29 13 30 31 32 33 34 35 36 14 37 16 17 38 18 19 20 39 21 40 22 22 41 42 24 25 26 43 27 44 28 45 28 46 47 1.7509 1.7532 1.3527 1.4443 1.2176 1.3876 1.4011 1.1541 1.51 1.537 1.5166 1.5166 1.5364 1.4709 1.0819 1.4746 1.0826 1.0942 1.0934 1.088 1.0937 1.0909 1.0944 1.3315 1.0839 1.516 1.4731 1.0921 1.3947 1.3922 1.3888 1.0803 1.3975 1.0835 1.3954 1.3921 1.0836 1.0833 1.3934 1.3889 1.3924 1.0827 1.3965 1.0833 1.3965 1.0839 1.3946 1.084 1.0837 calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically A1 A2 A3 A4 A5 A6 A7 A8 A9 A10 A11 A12 A13 A14 A15 A16 A17 A18 A19 A20 A21 A22 A23 A24 A25 A26 A27 A28 A29 A30 A31 A32 A33 A34 A35 A36 A37 A38 A39 A40 A41 A42 A43 A44 A45 A46 A47 A48 A49 A50 A51 A52 A53 A54 A55 A56 A57 A58 A59 A60 A61 A62 A63 A64 A65 A66 A67 A68 A69 A70 A71 A72 A73 A74 A75 A76 A77 A78 A79 A80 13 20 8 8 9 9 10 7 7 9 9 12 7 7 8 8 13 7 7 7 31 31 32 7 7 7 34 34 35 8 8 14 3 3 4 1 1 2 3 3 3 16 16 17 15 15 18 16 16 20 16 16 21 5 5 18 19 19 22 20 20 21 5 5 24 23 23 26 23 23 27 24 24 28 25 25 28 26 26 27 3 5 7 7 7 7 7 8 8 8 8 8 9 9 9 9 9 10 10 10 10 10 10 11 11 11 11 11 11 12 12 12 13 13 13 14 14 14 15 15 15 15 15 15 16 16 16 18 18 18 19 19 19 20 20 20 21 21 21 22 22 22 23 23 23 24 24 24 25 25 25 26 26 26 27 27 27 28 28 28 15 23 10 11 10 11 11 12 29 12 29 29 13 30 13 30 30 31 32 33 32 33 33 34 35 36 35 36 36 14 37 37 4 9 9 2 12 12 16 17 38 17 38 38 18 19 19 20 39 39 21 40 40 18 22 22 22 41 41 21 42 42 24 25 25 26 43 43 27 44 44 28 45 45 28 46 46 27 47 47 119.315 117.4406 117.6201 120.2905 120.4004 115.4998 113.049 122.7754 114.1639 119.1828 113.7662 115.2442 122.5811 114.6937 121.6922 117.402 112.0674 110.2084 109.2913 112.7122 108.1373 108.4411 107.9235 109.6112 112.9594 109.8922 107.8064 107.9945 108.4355 125.2539 118.3024 116.4435 122.517 112.6478 124.8322 113.4619 124.3608 122.1748 106.1985 109.7042 110.2271 111.3749 111.2299 108.1074 118.1937 121.0193 120.7629 119.4178 120.2679 120.2875 119.015 120.3322 120.65 121.8013 117.4985 120.691 120.8467 119.7215 119.4139 119.1941 119.5123 121.2881 120.1918 118.3339 121.4585 119.1092 119.6118 121.2662 118.9521 119.5824 121.4633 120.2508 119.5402 120.2086 120.3615 119.4629 120.1717 119.8616 120.0376 120.1 calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically A81 A82 6 6 17 17 15 15 7 7 -1 -2 181.1653 calculate D2E/DX2 analytically|calculate D2E/DX2 analytically 178.6451 D1 D2 D3 D4 D5 D6 D7 D8 D9 D10 D11 D12 D13 D14 D15 D16 D17 D18 D19 D20 D21 D22 D23 D24 D25 D26 D27 D28 D29 D30 D31 D32 D33 D34 D35 D36 D37 D38 D39 D40 D41 D42 D43 D44 D45 D46 D47 D48 D49 D50 D51 D52 D53 D54 D55 D56 D57 D58 D59 D60 D61 D62 D63 D64 D65 D66 D67 D68 D69 D70 D71 D72 D73 D74 D75 D76 D77 D78 D79 D80 D81 D82 D83 D84 D85 D86 D87 D88 D89 D90 D91 D92 D93 D94 D95 D96 D97 D98 D99 D100 D101 D102 D103 D104 D105 D106 D107 D108 D109 15 15 13 13 13 23 23 20 20 10 10 11 11 10 10 11 11 8 8 8 9 9 9 11 11 11 8 8 8 9 9 9 10 10 10 12 12 29 29 7 7 9 9 29 29 7 7 8 8 30 30 8 8 37 37 3 3 17 17 38 38 15 15 19 19 15 15 18 18 16 16 39 39 16 16 40 40 5 5 18 18 19 19 41 41 5 5 25 25 5 5 24 24 23 23 43 43 23 23 44 44 24 24 45 45 25 25 46 46 3 3 3 3 3 5 5 5 5 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 8 8 8 8 8 8 8 8 8 8 9 9 9 9 9 9 12 12 12 12 15 15 15 15 15 15 16 16 16 16 16 16 16 16 18 18 18 18 19 19 19 19 20 20 20 20 21 21 21 21 23 23 23 23 23 23 23 23 24 24 24 24 25 25 25 25 26 26 26 26 27 27 27 27 13 13 15 15 15 20 20 23 23 8 8 8 8 9 9 9 9 10 10 10 10 10 10 10 10 10 11 11 11 11 11 11 11 11 11 9 9 9 9 12 12 12 12 12 12 13 13 13 13 13 13 14 14 14 14 16 16 16 16 16 16 18 18 18 18 19 19 19 19 20 20 20 20 21 21 21 21 22 22 22 22 22 22 22 22 24 24 24 24 25 25 25 25 26 26 26 26 27 27 27 27 28 28 28 28 28 28 28 28 4 9 16 17 38 18 22 24 25 12 29 12 29 13 30 13 30 31 32 33 31 32 33 31 32 33 34 35 36 34 35 36 34 35 36 13 30 13 30 14 37 14 37 14 37 3 4 3 4 3 4 1 2 1 2 18 19 18 19 18 19 20 39 20 39 21 40 21 40 5 22 5 22 22 41 22 41 21 42 21 42 20 42 20 42 26 43 26 43 27 44 27 44 28 45 28 45 28 46 28 46 27 47 27 47 26 47 26 47 -5.2163 174.1792 173.4025 -66.1213 52.8117 -23.4718 157.6263 -61.5039 119.9159 -141.2469 6.4048 3.5757 151.2274 3.3973 145.08 -138.1168 3.5659 -150.6174 90.6783 -29.3197 -80.2713 161.0244 41.0265 62.1081 -56.5962 -176.5942 159.3833 39.151 -82.0825 90.0055 -30.2267 -151.4602 -54.3096 -174.5419 64.2247 135.1209 -9.7054 -6.1097 -150.936 158.0145 -21.832 -130.0048 50.1488 10.6794 -169.167 -60.2454 119.1337 10.6828 -169.9382 157.1887 -23.4323 1.9301 -178.6864 -178.2209 1.1626 44.8316 -133.3953 -74.5573 107.2157 164.772 -13.4549 -175.7688 2.352 2.4629 -179.4164 177.9823 -1.4119 -0.1991 -179.5933 178.1268 -3.0059 0.0064 178.8737 -1.565 179.9811 177.8272 -0.6267 -179.8101 -0.6503 1.2751 -179.5651 1.0363 -178.1081 179.4948 0.3505 -179.2649 2.019 -0.73 -179.446 178.6534 -1.8813 0.092 179.5573 0.726 -179.0156 179.4201 -0.3215 0.5539 179.8388 -178.901 0.384 -0.0948 -179.7622 179.645 -0.0224 -0.554 179.1132 -179.8338 -0.1666 calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|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. 0.00121 0.00133 0.00173 0.00209 0.00229 0.00572 0.01254 0.01546 0.01667 0.01689 0.01743 0.01767 0.01781 0.01846 0.01852 0.01877 0.02032 0.02114 0.02145 0.02236 0.02284 0.02305 0.02396 0.02488 0.02629 0.02676 0.02704 0.02903 0.02929 0.02969 0.03014 0.03491 0.03765 0.04026 0.04362 0.04427 0.04543 0.04633 0.05111 0.05757 0.06165 0.06471 0.06566 0.07463 0.07742 0.09677 0.09899 0.10576 0.10691 0.10774 0.11029 0.11423 0.11607 0.11853 0.11989 0.12062 0.12114 0.12295 0.12356 0.12456 0.12570 0.13239 0.13651 0.13706 0.14571 0.14820 0.15906 0.16172 0.17447 0.17780 0.17925 0.18170 0.18600 0.19010 0.19324 0.19418 0.19539 0.19787 0.20680 0.21110 0.21943 0.22521 0.23015 0.24498 0.25021 0.26350 0.26684 0.28296 0.28728 0.29090 0.29389 0.30080 0.30769 0.31937 0.32682 0.33020 0.33112 0.33448 0.33527 0.33839 0.34258 0.34699 0.35131 0.35160 0.35605 0.35656 0.35724 0.35843 0.35854 0.35910 0.35952 0.35991 0.36026 0.36093 0.36169 0.36566 0.37068 0.38679 0.39462 0.40505 0.41885 0.43496 0.43947 0.45800 0.46372 0.46560 0.47149 0.50095 0.50496 0.50969 0.59797 0.62551 0.79137 1.05080 1.20721 Angle between quadratic step and forces= 81.34 degrees. 1 2 0.00007981 0.00000001 0.00000001 0.00000000 R1 R2 R3 R4 R5 R6 R7 R8 R9 R10 R11 R12 R13 R14 R15 R16 R17 R18 R19 R20 R21 R22 R23 R24 R25 R26 R27 R28 R29 R30 R31 R32 R33 R34 R35 R36 R37 R38 R39 R40 R41 R42 R43 R44 R45 R46 R47 R48 R49 A1 A2 A3 A4 A5 A6 A7 A8 A9 A10 A11 A12 A13 A14 A15 A16 A17 A18 A19 A20 A21 A22 A23 A24 A25 A26 A27 A28 A29 A30 A31 A32 A33 A34 A35 A36 A37 A38 A39 A40 A41 A42 A43 A44 A45 A46 A47 A48 A49 A50 A51 A52 A53 A54 A55 A56 A57 A58 A59 A60 A61 A62 A63 A64 A65 A66 A67 A68 A69 A70 A71 A72 A73 A74 A75 A76 A77 A78 A79 A80 A81 A82 D1 D2 D3 D4 D5 D6 D7 D8 D9 D10 D11 D12 D13 D14 D15 D16 D17 D18 D19 D20 D21 D22 D23 D24 D25 D26 D27 D28 D29 D30 D31 D32 D33 D34 D35 D36 D37 D38 D39 D40 D41 D42 D43 D44 D45 D46 D47 D48 D49 D50 D51 D52 D53 D54 D55 D56 D57 D58 D59 D60 D61 D62 D63 D64 D65 D66 D67 D68 D69 D70 D71 D72 D73 D74 D75 D76 D77 D78 D79 D80 D81 D82 D83 D84 D85 D86 D87 D88 D89 D90 D91 D92 D93 D94 D95 D96 D97 D98 D99 D100 D101 D102 D103 D104 D105 D106 D107 D108 D109 3.30864 3.31300 2.55629 2.72932 2.30087 2.62209 2.64766 2.18097 2.85358 2.90446 2.86598 2.86600 2.90332 2.77954 2.04445 2.78655 2.04587 2.06771 2.06619 2.05598 2.06676 2.06145 2.06815 2.51612 2.04821 2.86485 2.78375 2.06385 2.63567 2.63090 2.62452 2.04140 2.64094 2.04752 2.63700 2.63076 2.04772 2.04718 2.63309 2.62468 2.63120 2.04606 2.63904 2.04720 2.63899 2.04822 2.63536 2.04842 2.04789 2.08244 2.04973 2.05286 2.09947 2.10138 2.01585 1.97308 2.14284 1.99254 2.08013 1.98560 2.01139 2.13944 2.00178 2.12393 2.04905 1.95595 1.92350 1.90749 1.96720 1.88735 1.89265 1.88362 1.91308 1.97151 1.91798 1.88158 1.88486 1.89256 2.18609 2.06477 2.03232 2.13833 1.96608 2.17873 1.98028 2.17050 2.13235 1.85351 1.91470 1.92383 1.94386 1.94133 1.88683 2.06287 2.11218 2.10771 2.08423 2.09907 2.09941 2.07720 2.10019 2.10574 2.12583 2.05074 2.10645 2.10917 2.08953 2.08417 2.08033 2.08588 2.11688 2.09774 2.06532 2.11985 2.07885 2.08762 2.11649 2.07611 2.08711 2.11994 2.09877 2.08637 2.09804 2.10070 2.08502 2.09739 2.09198 2.09505 2.09614 3.16193 3.11795 -0.09104 3.04000 3.02644 -1.15404 0.92174 -0.40966 2.75110 -1.07345 2.09293 -2.46522 0.11178 0.06241 2.63942 0.05929 2.53212 -2.41059 0.06224 -2.62877 1.58263 -0.51173 -1.40100 2.81041 0.71605 1.08399 -0.98779 -3.08215 2.78176 0.68331 -1.43261 1.57089 -0.52756 -2.64348 -0.94788 -3.04633 1.12093 2.35830 -0.16939 -0.10664 -2.63433 2.75787 -0.38104 -2.26901 0.87526 0.18639 -2.95252 -1.05148 2.07927 0.18645 -2.96598 2.74346 -0.40897 0.03369 -3.11867 -3.11054 0.02029 0.78246 -2.32819 -1.30127 1.87127 2.87581 -0.23483 -3.06774 0.04105 0.04299 -3.13141 3.10638 -0.02464 -0.00347 -3.13449 3.10890 -0.05246 0.00011 3.12194 -0.02731 3.14126 3.10367 -0.01094 -3.13828 -0.01135 0.02226 -3.13400 0.01809 -3.10857 3.13278 0.00612 -3.12876 0.03524 -0.01274 -3.13192 3.11809 -0.03284 0.00161 3.13387 0.01267 -3.12441 3.13147 -0.00561 0.00967 3.13878 -3.12241 0.00670 -0.00166 -3.13744 3.13540 -0.00039 -0.00967 3.12612 -3.13869 -0.00291 0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00001 0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00001 0.00001 0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00001 -0.00000 -0.00000 0.00000 0.00000 0.00001 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00001 0.00002 -0.00001 -0.00002 -0.00000 0.00002 0.00001 0.00000 0.00003 -0.00001 0.00000 -0.00000 -0.00002 -0.00001 0.00000 0.00001 0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00001 0.00000 -0.00000 0.00001 0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00001 0.00000 -0.00001 0.00001 0.00000 -0.00000 0.00001 -0.00001 -0.00001 0.00000 0.00001 -0.00000 0.00001 0.00000 -0.00001 -0.00000 0.00000 -0.00000 -0.00002 -0.00000 -0.00001 0.00000 0.00000 0.00001 -0.00001 -0.00000 0.00001 -0.00000 0.00001 0.00000 0.00002 -0.00001 0.00002 -0.00003 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00001 0.00000 -0.00000 -0.00001 -0.00000 0.00000 0.00001 -0.00001 0.00001 -0.00000 -0.00000 0.00001 -0.00000 -0.00001 0.00000 0.00000 0.00001 -0.00001 0.00001 0.00001 -0.00001 -0.00001 0.00000 -0.00000 0.00000 -0.00001 0.00001 -0.00000 0.00000 -0.00001 0.00000 -0.00000 -0.00000 0.00001 -0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00001 0.00000 0.00001 -0.00000 -0.00001 0.00001 -0.00000 0.00000 -0.00000 -0.00000 0.00001 -0.00001 -0.00000 -0.00000 0.00000 0.00000 -0.00001 0.00000 0.00002 0.00002 0.00004 0.00004 -0.00007 -0.00006 -0.00007 -0.00003 -0.00004 -0.00003 -0.00003 0.00001 0.00001 0.00001 0.00000 0.00001 -0.00001 -0.00002 -0.00003 0.00014 0.00015 0.00014 0.00013 0.00014 0.00013 0.00015 0.00016 0.00015 0.00021 0.00022 0.00021 0.00023 0.00023 0.00023 0.00021 0.00021 0.00021 0.00000 0.00004 -0.00002 0.00002 0.00006 0.00005 0.00005 0.00005 0.00007 0.00006 0.00006 0.00006 0.00007 0.00008 0.00005 0.00005 0.00003 -0.00002 0.00004 -0.00001 -0.00002 -0.00001 -0.00002 -0.00001 -0.00001 0.00000 0.00000 0.00001 -0.00001 -0.00000 -0.00001 -0.00001 0.00000 -0.00000 0.00000 0.00001 -0.00001 0.00000 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 -0.00001 0.00000 -0.00001 -0.00000 -0.00001 -0.00000 -0.00001 0.00000 0.00001 0.00001 0.00002 0.00000 0.00000 0.00001 0.00001 -0.00000 -0.00000 -0.00001 -0.00001 0.00000 0.00000 0.00000 0.00000 0.00001 0.00002 -0.00001 -0.00002 -0.00000 0.00002 0.00001 0.00000 0.00003 -0.00001 0.00000 -0.00000 -0.00002 -0.00001 0.00000 0.00001 0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00001 0.00000 -0.00000 0.00001 0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00001 0.00000 -0.00001 0.00001 0.00000 -0.00000 0.00001 -0.00001 -0.00001 0.00000 0.00001 -0.00000 0.00001 0.00000 -0.00001 -0.00000 0.00000 -0.00000 -0.00002 -0.00000 -0.00001 0.00000 0.00000 0.00001 -0.00001 -0.00000 0.00001 -0.00000 0.00001 0.00000 0.00002 -0.00001 0.00002 -0.00003 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00001 0.00000 -0.00000 -0.00001 -0.00000 0.00000 0.00001 -0.00001 0.00001 -0.00000 -0.00000 0.00001 -0.00000 -0.00001 0.00000 0.00000 0.00001 -0.00001 0.00001 0.00001 -0.00001 -0.00001 0.00000 -0.00000 0.00000 -0.00001 0.00001 -0.00000 0.00000 -0.00001 0.00000 -0.00000 -0.00000 0.00001 -0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00001 0.00000 0.00001 -0.00000 -0.00001 0.00001 -0.00000 0.00000 -0.00000 -0.00000 0.00001 -0.00001 -0.00000 -0.00000 0.00000 0.00000 -0.00001 0.00000 0.00002 0.00002 0.00004 0.00004 -0.00007 -0.00006 -0.00007 -0.00003 -0.00004 -0.00003 -0.00003 0.00001 0.00001 0.00001 0.00000 0.00001 -0.00001 -0.00002 -0.00003 0.00014 0.00015 0.00014 0.00013 0.00014 0.00013 0.00015 0.00016 0.00015 0.00021 0.00022 0.00021 0.00023 0.00023 0.00023 0.00021 0.00021 0.00021 0.00000 0.00004 -0.00002 0.00002 0.00006 0.00005 0.00005 0.00005 0.00007 0.00006 0.00006 0.00006 0.00007 0.00008 0.00005 0.00005 0.00003 -0.00002 0.00004 -0.00001 -0.00002 -0.00001 -0.00002 -0.00001 -0.00001 0.00000 0.00000 0.00001 -0.00001 -0.00000 -0.00001 -0.00001 0.00000 -0.00000 0.00000 0.00001 -0.00001 0.00000 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 -0.00001 0.00000 -0.00001 -0.00000 -0.00001 -0.00000 -0.00001 0.00000 0.00001 0.00001 0.00002 0.00000 0.00000 0.00001 0.00001 -0.00000 -0.00000 -0.00001 -0.00001 0.00000 0.00000 0.00000 0.00000 3.30865 3.31302 2.55628 2.72929 2.30087 2.62211 2.64767 2.18097 2.85360 2.90444 2.86599 2.86599 2.90331 2.77953 2.04445 2.78656 2.04587 2.06771 2.06619 2.05598 2.06676 2.06145 2.06815 2.51612 2.04821 2.86485 2.78377 2.06385 2.63567 2.63091 2.62452 2.04140 2.64093 2.04752 2.63699 2.63077 2.04772 2.04718 2.63310 2.62467 2.63120 2.04606 2.63905 2.04720 2.63900 2.04822 2.63535 2.04842 2.04789 2.08244 2.04971 2.05285 2.09946 2.10139 2.01586 1.97308 2.14283 1.99253 2.08014 1.98559 2.01140 2.13945 2.00181 2.12392 2.04907 1.95592 1.92349 1.90749 1.96720 1.88735 1.89266 1.88363 1.91308 1.97151 1.91798 1.88158 1.88486 1.89256 2.18608 2.06478 2.03232 2.13832 1.96608 2.17873 1.98028 2.17051 2.13236 1.85352 1.91469 1.92383 1.94387 1.94132 1.88682 2.06287 2.11218 2.10771 2.08423 2.09908 2.09941 2.07721 2.10019 2.10574 2.12583 2.05073 2.10646 2.10917 2.08954 2.08416 2.08032 2.08589 2.11688 2.09773 2.06532 2.11986 2.07884 2.08762 2.11650 2.07610 2.08711 2.11993 2.09877 2.08638 2.09803 2.10070 2.08502 2.09740 2.09198 2.09504 2.09614 3.16196 3.11797 -0.09100 3.04004 3.02637 -1.15410 0.92167 -0.40969 2.75106 -1.07347 2.09290 -2.46521 0.11179 0.06241 2.63942 0.05930 2.53211 -2.41061 0.06221 -2.62863 1.58278 -0.51159 -1.40087 2.81054 0.71617 1.08414 -0.98763 -3.08200 2.78198 0.68353 -1.43240 1.57112 -0.52733 -2.64325 -0.94767 -3.04612 1.12114 2.35830 -0.16935 -0.10665 -2.63431 2.75793 -0.38099 -2.26896 0.87531 0.18646 -2.95246 -1.05142 2.07933 0.18652 -2.96591 2.74351 -0.40892 0.03372 -3.11869 -3.11051 0.02028 0.78244 -2.32820 -1.30129 1.87126 2.87581 -0.23483 -3.06774 0.04106 0.04298 -3.13141 3.10637 -0.02465 -0.00347 -3.13449 3.10890 -0.05246 0.00011 3.12194 -0.02731 3.14126 3.10367 -0.01093 -3.13828 -0.01135 0.02225 -3.13401 0.01809 -3.10857 3.13277 0.00612 -3.12877 0.03523 -0.01274 -3.13194 3.11809 -0.03284 0.00160 3.13386 0.01267 -3.12440 3.13149 -0.00559 0.00967 3.13878 -3.12240 0.00671 -0.00166 -3.13745 3.13539 -0.00040 -0.00967 3.12612 -3.13869 -0.00291 |Maximum Force|RMS Force|Maximum Displacement|RMS Displacement| 0.000009 0.000002 0.000370 0.000080 0.000450 0.000300 0.001800 0.001200 YES YES YES YES -1.723750e-09 Optimization completed. -- Stationary point found. R1 R2 R3 R4 R5 R6 R7 R8 R9 R10 R11 R12 R13 R14 R15 R16 R17 R18 R19 R20 R21 R22 R23 R24 R25 R26 R27 R28 R29 R30 R31 R32 R33 R34 R35 R36 R37 R38 R39 R40 R41 R42 R43 R44 R45 R46 R47 R48 R49 1 2 3 3 4 5 5 6 7 7 7 7 8 8 8 9 9 10 10 10 11 11 11 12 12 15 15 15 16 16 18 18 19 19 20 21 21 22 23 23 24 24 25 25 26 26 27 27 28 14 14 13 15 13 20 23 17 8 9 10 11 9 12 29 13 30 31 32 33 34 35 36 14 37 16 17 38 18 19 20 39 21 40 22 22 41 42 24 25 26 43 27 44 28 45 28 46 47 1.7509 1.7532 1.3527 1.4443 1.2176 1.3876 1.4011 1.1541 1.51 1.537 1.5166 1.5166 1.5364 1.4709 1.0819 1.4746 1.0826 1.0942 1.0934 1.088 1.0937 1.0909 1.0944 1.3315 1.0839 1.516 1.4731 1.0921 1.3947 1.3922 1.3888 1.0803 1.3975 1.0835 1.3954 1.3921 1.0836 1.0833 1.3934 1.3889 1.3924 1.0827 1.3965 1.0833 1.3965 1.0839 1.3946 1.084 1.0837 -DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0 A1 A2 A3 A4 A5 A6 A7 A8 A9 A10 A11 A12 A13 A14 A15 A16 A17 A18 A19 A20 A21 A22 A23 A24 A25 A26 A27 A28 A29 A30 A31 A32 A33 A34 A35 A36 A37 A38 A39 A40 A41 A42 A43 A44 A45 A46 A47 A48 A49 A50 A51 A52 A53 A54 A55 A56 A57 A58 A59 A60 A61 A62 A63 A64 A65 A66 A67 A68 A69 A70 A71 A72 A73 A74 A75 A76 A77 A78 A79 A80 13 20 8 8 9 9 10 7 7 9 9 12 7 7 8 8 13 7 7 7 31 31 32 7 7 7 34 34 35 8 8 14 3 3 4 1 1 2 3 3 3 16 16 17 15 15 18 16 16 20 16 16 21 5 5 18 19 19 22 20 20 21 5 5 24 23 23 26 23 23 27 24 24 28 25 25 28 26 26 27 3 5 7 7 7 7 7 8 8 8 8 8 9 9 9 9 9 10 10 10 10 10 10 11 11 11 11 11 11 12 12 12 13 13 13 14 14 14 15 15 15 15 15 15 16 16 16 18 18 18 19 19 19 20 20 20 21 21 21 22 22 22 23 23 23 24 24 24 25 25 25 26 26 26 27 27 27 28 28 28 15 23 10 11 10 11 11 12 29 12 29 29 13 30 13 30 30 31 32 33 32 33 33 34 35 36 35 36 36 14 37 37 4 9 9 2 12 12 16 17 38 17 38 38 18 19 19 20 39 39 21 40 40 18 22 22 22 41 41 21 42 42 24 25 25 26 43 43 27 44 44 28 45 45 28 46 46 27 47 47 119.315 117.4406 117.6201 120.2905 120.4004 115.4998 113.049 122.7754 114.1639 119.1828 113.7662 115.2442 122.5811 114.6937 121.6922 117.402 112.0674 110.2084 109.2913 112.7122 108.1373 108.4411 107.9235 109.6112 112.9594 109.8922 107.8064 107.9945 108.4355 125.2539 118.3024 116.4435 122.517 112.6478 124.8322 113.4619 124.3608 122.1748 106.1985 109.7042 110.2271 111.3749 111.2299 108.1074 118.1937 121.0193 120.7629 119.4178 120.2679 120.2875 119.015 120.3322 120.65 121.8013 117.4985 120.691 120.8467 119.7215 119.4139 119.1941 119.5123 121.2881 120.1918 118.3339 121.4585 119.1092 119.6118 121.2662 118.9521 119.5824 121.4633 120.2508 119.5402 120.2086 120.3615 119.4629 120.1717 119.8616 120.0376 120.1 -DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0 A81 6 17 15 7 -1 181.1653 -DE/DX|=|0.0 D1 D2 D3 D4 D5 D6 D7 D8 D9 D10 D11 D12 D13 D14 D15 D16 D17 D18 D19 D20 D21 D22 D23 D24 D25 D26 D27 D28 D29 D30 D31 D32 D33 D34 D35 D36 D37 D38 D39 D40 D41 D42 D43 D44 D45 D46 D47 D48 D49 D50 D51 D52 D53 D54 D55 D56 D57 D58 D59 D60 D61 D62 D63 D64 D65 D66 D67 D68 D69 D70 D71 D72 D73 D74 D75 D76 D77 D78 D79 D80 D81 D82 D83 D84 D85 D86 D87 D88 D89 D90 D91 D92 D93 D94 D95 D96 D97 D98 D99 D100 D101 D102 D103 D104 D105 D106 D107 D108 15 15 13 13 13 23 23 20 20 10 10 11 11 10 10 11 11 8 8 8 9 9 9 11 11 11 8 8 8 9 9 9 10 10 10 12 12 29 29 7 7 9 9 29 29 7 7 8 8 30 30 8 8 37 37 3 3 17 17 38 38 15 15 19 19 15 15 18 18 16 16 39 39 16 16 40 40 5 5 18 18 19 19 41 41 5 5 25 25 5 5 24 24 23 23 43 43 23 23 44 44 24 24 45 45 25 25 46 3 3 3 3 3 5 5 5 5 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 8 8 8 8 8 8 8 8 8 8 9 9 9 9 9 9 12 12 12 12 15 15 15 15 15 15 16 16 16 16 16 16 16 16 18 18 18 18 19 19 19 19 20 20 20 20 21 21 21 21 23 23 23 23 23 23 23 23 24 24 24 24 25 25 25 25 26 26 26 26 27 27 27 13 13 15 15 15 20 20 23 23 8 8 8 8 9 9 9 9 10 10 10 10 10 10 10 10 10 11 11 11 11 11 11 11 11 11 9 9 9 9 12 12 12 12 12 12 13 13 13 13 13 13 14 14 14 14 16 16 16 16 16 16 18 18 18 18 19 19 19 19 20 20 20 20 21 21 21 21 22 22 22 22 22 22 22 22 24 24 24 24 25 25 25 25 26 26 26 26 27 27 27 27 28 28 28 28 28 28 28 4 9 16 17 38 18 22 24 25 12 29 12 29 13 30 13 30 31 32 33 31 32 33 31 32 33 34 35 36 34 35 36 34 35 36 13 30 13 30 14 37 14 37 14 37 3 4 3 4 3 4 1 2 1 2 18 19 18 19 18 19 20 39 20 39 21 40 21 40 5 22 5 22 22 41 22 41 21 42 21 42 20 42 20 42 26 43 26 43 27 44 27 44 28 45 28 45 28 46 28 46 27 47 27 47 26 47 26 -5.2163 174.1792 173.4025 -66.1213 52.8117 -23.4718 157.6263 -61.5039 119.9159 -141.2469 6.4048 3.5757 151.2274 3.3973 145.08 -138.1168 3.5659 -150.6174 90.6783 -29.3197 -80.2713 161.0244 41.0265 62.1081 -56.5962 -176.5942 159.3833 39.151 -82.0825 90.0055 -30.2267 -151.4602 -54.3096 -174.5419 64.2247 135.1209 -9.7054 -6.1097 -150.936 158.0145 -21.832 -130.0048 50.1488 10.6794 -169.167 -60.2454 119.1337 10.6828 -169.9382 157.1887 -23.4323 1.9301 -178.6864 -178.2209 1.1626 44.8316 -133.3953 -74.5573 107.2157 164.772 -13.4549 -175.7688 2.352 2.4629 -179.4164 177.9823 -1.4119 -0.1991 -179.5933 178.1268 -3.0059 0.0064 178.8737 -1.565 179.9811 177.8272 -0.6267 -179.8101 -0.6503 1.2751 -179.5651 1.0363 -178.1081 179.4948 0.3505 -179.2649 2.019 -0.73 -179.446 178.6534 -1.8813 0.092 179.5573 0.726 -179.0156 179.4201 -0.3215 0.5539 179.8388 -178.901 0.384 -0.0948 -179.7622 179.645 -0.0224 -0.554 179.1132 -179.8338 -DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-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 774 A 746 A 746 1194 774 108 108 2932.1804149201 47 47 47 1.00e+00 60 F IExCor= 402 DFT=T Ex+Corr=B3LYP ExCW=0 ScaHFX= 0.200000 ScaDFX= 0.800000 0.720000 1.000000 0.810000 ScalE2= 1.000000 1.000000 IRadAn= 5 IRanWt= -1 IRanGd= 0 ICorTp=0 IEmpDi=131 Grimme-D3 -0.0610536511 PCM SMD-Coulomb. Total charges None Matrix inversion Water 78.355300 1.777849 0.000000 2.929728 0.000000 4.572387 6.474744 0.000000 6.067877 7.238990 2.254568 0.000000 5.543484 8.223421 4.966000 7.180104 0.000000 7.866062 9.761352 3.407747 3.627177 6.041189 0.000000 4.638659 5.292958 3.098549 3.594779 6.268664 5.236161 0.000000 3.178356 4.111652 2.813302 3.760868 5.821918 5.767904 1.510047 0.000000 4.416956 5.198728 2.353816 2.389105 6.575450 4.953447 1.536972 1.536373 0.000000 5.341715 6.470830 3.110899 4.006106 5.456662 4.431321 1.516614 2.589175 2.649821 0.000000 5.562115 5.448031 4.551692 4.570373 7.603751 6.378779 1.516620 2.625001 2.582528 2.530086 0.000000 2.733099 2.707852 4.119547 4.842588 6.747536 7.210752 2.616953 1.470867 2.593769 3.870884 3.073148 0.000000 4.990468 6.309015 1.352730 1.217567 6.235725 3.776067 2.641503 2.629680 1.474579 3.100104 3.854117 3.831062 0.000000 1.750858 1.753165 4.771120 5.760050 6.705253 8.049223 3.833891 2.489394 3.713200 4.912915 4.362572 1.331476 4.730298 0.000000 5.634041 7.780561 1.444292 2.726291 4.922263 2.626925 4.435287 4.249408 3.708442 4.152726 5.865184 5.536131 2.414332 6.084796 0.000000 5.432166 7.973197 2.367679 4.184336 3.687689 3.465380 5.191844 4.783640 4.694549 4.736451 6.697942 5.986636 3.649752 6.277549 1.516013 0.000000 6.847860 8.841547 2.385517 2.972811 5.434341 1.154119 4.711516 4.978678 4.240040 4.100182 6.004907 6.386624 2.960961 7.126268 1.473100 2.469050 0.000000 5.087195 7.689837 2.768021 4.894162 2.425946 3.948493 4.897308 4.533079 4.803753 4.216184 6.383280 5.732348 4.098653 5.983840 2.498308 1.394739 3.138315 0.000000 6.045482 8.715758 3.545617 5.108193 4.176400 4.377541 6.488754 5.927506 5.845344 6.118892 7.996118 6.995690 4.736841 7.108361 2.532166 1.392214 3.456732 2.422797 0.000000 5.361667 8.147541 4.071295 6.238604 1.387553 5.155089 6.001401 5.494382 6.004128 5.301848 7.453349 6.523620 5.410989 6.541224 3.778159 2.403545 4.425275 1.388835 2.789509 0.000000 6.309618 9.153608 4.646557 6.420494 3.654502 5.473244 7.365365 6.707994 6.881113 6.908996 8.881193 7.680281 5.922479 7.611662 3.805937 2.403908 4.647012 2.783562 1.397526 2.404253 0.000000 5.991763 8.887219 4.865932 6.909619 2.379197 5.815821 7.164047 6.526765 6.955951 6.573563 8.649868 7.472946 6.212293 7.353934 4.301687 2.786896 5.053810 2.419605 2.426163 1.395440 1.392139 0.000000 4.998609 7.405488 4.776526 6.948472 1.401082 6.141432 5.369277 5.015389 5.939871 4.551722 6.575356 5.881742 5.888952 5.917551 5.103893 4.182993 5.565636 2.809379 5.000106 2.383297 4.761989 3.618550 0.000000 3.691852 6.035706 4.452988 6.590841 2.422407 6.548526 4.706795 4.075380 5.235708 4.257584 5.865741 4.711904 5.432995 4.605303 5.107780 4.370793 5.818228 3.174913 5.229758 3.010995 5.133920 4.155872 1.393372 0.000000 6.063302 8.180137 5.488166 7.496936 2.395687 6.312819 5.606259 5.594101 6.449500 4.531751 6.634751 6.516397 6.476517 6.725402 5.821693 5.069772 5.968118 3.687213 6.001840 3.435264 5.830565 4.690217 1.388923 2.427051 0.000000 3.738308 5.465247 4.900491 6.804357 3.687152 7.072822 4.213365 3.735999 5.058015 3.878664 5.092264 4.173232 5.604638 4.173462 5.822686 5.378643 6.422569 4.238090 6.389957 4.317171 6.445233 5.524036 2.401625 1.392373 2.795802 0.000000 6.083706 7.759556 5.863043 7.692609 3.671472 6.868922 5.203076 5.351967 6.309771 4.186480 5.965289 6.134430 6.627146 6.430477 6.465912 5.967100 6.570125 4.640671 7.041065 4.626759 7.016338 5.938971 2.399433 2.792325 1.396522 2.415445 0.000000 5.066053 6.460644 5.595498 7.361348 4.174662 7.225887 4.496062 4.469600 5.638358 3.840989 5.149253 5.012368 6.215320 5.242161 6.464883 6.100430 6.778097 4.870215 7.210085 4.983951 7.281446 6.289109 2.773812 2.418276 2.421548 1.396494 1.394570 0.000000 2.747330 4.453656 2.401615 3.974623 4.785450 5.458245 2.188192 1.081874 2.206947 2.682956 3.513151 2.165919 2.762320 2.709787 3.726057 3.964649 4.587620 3.583034 5.084030 4.452030 5.745639 5.483098 4.061751 3.135040 4.794021 3.076586 4.755745 3.983284 0.000000 4.906563 5.147827 3.262666 2.608660 7.632612 5.682422 2.219159 2.250231 1.082626 3.519685 2.671090 2.777083 2.132136 3.924060 4.520322 5.613992 5.022008 5.837743 6.680511 7.036954 7.768752 7.930378 6.987649 6.211748 7.493036 5.945365 7.276739 6.521771 3.109961 0.000000 6.365325 7.389527 3.524992 3.930479 6.157602 4.016855 2.154954 3.459914 3.081097 1.094184 2.802355 4.734803 3.312516 5.867653 4.355602 5.134195 3.948963 4.760686 6.516346 5.929123 7.406086 7.167047 5.348530 5.233037 5.181086 4.903713 4.859653 4.708978 3.656316 3.798055 0.000000 5.522106 6.530008 4.044876 5.091390 5.427551 5.276883 2.142723 3.087623 3.530158 1.093380 2.745123 4.135940 4.144850 5.080729 5.063709 5.429373 5.010846 4.667147 6.798399 5.550462 7.427163 6.899787 4.323859 4.041934 4.069700 3.392845 3.434210 3.040552 3.129892 4.340420 1.771316 0.000000 5.050546 6.658258 2.435567 3.844272 4.508267 3.825880 2.181282 2.721816 2.850521 1.087979 3.486302 4.126132 2.874517 4.980932 3.317004 3.713837 3.362024 3.135560 5.098457 4.249651 5.845431 5.507306 3.764931 3.616212 3.911683 3.587671 3.894686 3.732594 2.398786 3.877885 1.770335 1.763903 0.000000 6.569649 6.511260 4.904317 4.590821 8.128886 6.153056 2.147023 3.503420 3.076536 2.732997 1.093680 4.113693 4.099346 5.422850 6.077653 7.040180 5.964458 6.789611 8.366934 7.938644 9.326980 9.146974 7.140631 6.598080 7.066267 5.877452 6.404645 5.769231 4.321874 3.090144 2.557802 3.016361 3.758511 0.000000 5.532174 4.952924 4.960355 4.714726 8.322787 7.056035 2.186516 2.826347 2.702838 3.489727 1.090871 2.834334 4.096069 4.107701 6.320140 7.218606 6.600373 7.029300 8.441824 8.101270 9.366042 9.220998 7.330899 6.484167 7.518775 5.717623 6.870302 5.938027 3.866844 2.382885 3.778628 3.776527 4.342313 1.765167 0.000000 5.650421 5.401602 5.236249 5.559188 7.584148 7.051732 2.151140 3.068462 3.463790 2.814569 1.094420 3.308435 4.738203 4.449619 6.555113 7.210336 6.700476 6.697886 8.525348 7.632645 9.283298 8.894265 6.420834 5.688226 6.350687 4.704964 5.489325 4.584248 3.825774 3.659285 3.218255 2.584333 3.791887 1.770148 1.772808 0.000000 3.699699 2.795376 4.867106 5.188935 7.739319 7.770477 2.850555 2.202260 2.922938 4.255879 2.750732 1.083868 4.321945 2.057403 6.301925 6.903770 7.030802 6.685708 7.949058 7.538234 8.700392 8.519115 6.805639 5.662142 7.315619 4.967056 6.788521 5.627761 3.112281 2.755588 4.979027 4.477561 4.736675 3.767615 2.188330 2.980021 0.000000 5.996413 8.049092 2.090331 2.616163 5.792069 3.145468 5.083921 4.789443 4.075494 5.028710 6.446733 5.942503 2.674223 6.438037 1.092143 2.165680 2.088743 3.401408 2.647382 4.551053 4.032585 4.815326 6.067892 5.986524 6.866871 6.719476 7.521484 7.453370 4.372000 4.692358 5.183976 5.997024 4.290552 6.648575 6.755706 7.233028 6.664897 0.000000 4.972410 7.338231 2.538949 4.630190 2.676230 3.761992 4.054968 3.909166 4.226779 3.214628 5.491817 5.192667 3.728415 5.610281 2.686304 2.152007 3.073128 1.080262 3.400509 2.146894 3.863804 3.398405 2.517730 2.822660 3.138367 3.608617 3.868706 4.067756 3.037141 5.301065 3.787403 3.607341 2.136920 5.867462 6.226406 5.748137 6.076019 3.731808 0.000000 6.595020 9.136670 3.890312 5.022230 5.259522 4.536360 6.965790 6.407992 6.121601 6.722603 8.439013 7.439464 4.885872 7.577670 2.745019 2.153098 3.636800 3.404377 1.083503 3.872769 2.161235 3.408706 6.055205 6.207980 7.044929 7.314818 8.042784 8.162374 5.676220 6.835998 7.033341 7.505250 5.764173 8.762312 8.799073 9.071757 8.340205 2.418586 4.295129 0.000000 7.031630 9.879775 5.588058 7.223377 4.520405 6.305184 8.381196 7.663538 7.811738 7.974923 9.896336 8.566068 6.812814 8.412520 4.680351 3.386974 5.511440 3.867164 2.151486 3.385333 1.083609 2.143359 5.709997 6.072417 6.789865 7.409613 8.011014 8.282566 6.713730 8.649571 8.460780 8.506053 6.916837 10.350467 10.337511 10.318713 9.591125 4.723114 4.947401 2.487162 0.000000 6.505744 9.422998 5.900801 7.976969 2.585883 6.822797 8.049133 7.364953 7.915405 7.437693 9.508242 8.218214 7.246686 7.979948 5.384311 3.870016 6.108970 3.394973 3.413642 2.147138 2.162893 1.083320 3.929114 4.534933 4.960644 5.923011 6.255762 6.663756 6.296485 8.893555 8.071251 7.658379 6.389405 10.044306 10.086617 9.672303 9.281501 5.881028 4.284724 4.312318 2.487003 0.000000 2.973837 5.622156 4.276475 6.436043 2.647016 6.721592 4.945883 4.021776 5.176205 4.746641 6.181711 4.529509 5.296565 4.209554 4.901688 4.090325 5.850989 3.113916 4.766765 2.887542 4.634191 3.783202 2.145856 1.082730 3.399968 2.162383 3.874863 3.407157 3.012794 6.101301 5.743539 4.722151 4.050184 6.981988 6.658592 6.124863 5.563250 5.640426 3.055988 5.689053 5.499752 4.169613 0.000000 7.046716 9.240395 6.038360 7.997949 2.605260 6.313629 6.390585 6.487809 7.199368 5.176519 7.428621 7.501077 7.070985 7.752463 6.149363 5.328382 6.113733 3.989206 6.167737 3.629726 5.913407 4.760742 2.142040 3.401041 1.083330 3.878894 2.168685 3.411364 5.682630 8.259591 5.661469 4.765214 4.510329 7.749187 8.361011 7.182753 8.295248 7.197353 3.560030 7.208141 6.822397 4.952530 4.281113 0.000000 3.050919 4.436160 5.073938 6.820072 4.563511 7.617969 4.071197 3.371812 4.845132 4.128823 4.800571 3.442257 5.604398 3.285466 6.163635 5.855423 6.892363 4.877283 6.840599 5.044232 6.970365 6.161623 3.383896 2.145135 3.879633 1.083872 3.399305 2.155951 2.892346 5.600996 5.203741 3.702454 4.007690 5.717721 5.250522 4.385559 4.198541 6.959719 4.288535 7.686631 7.901155 6.580942 2.488778 4.962654 0.000000 7.092379 8.583347 6.648732 8.334564 4.540969 7.280981 5.760427 6.125357 6.987401 4.635572 6.344309 6.916321 7.327732 7.306804 7.216857 6.796007 7.137879 5.491995 7.897636 5.511576 7.891533 6.814215 3.381187 3.876297 2.148122 3.399468 1.083977 2.153916 5.637633 7.920023 5.132573 3.772284 4.491192 6.651843 7.308572 5.786509 7.466397 8.294078 4.676239 8.888201 8.884781 7.107618 4.958799 2.495219 4.297734 0.000000 5.486075 6.386094 6.222930 7.781522 5.258339 7.870060 4.577101 4.698122 5.874933 4.065475 4.906671 5.054881 6.652146 5.355798 7.213560 7.002424 7.474151 5.834151 8.163758 6.040268 8.307690 7.352149 3.857474 3.399311 3.403035 2.153992 2.152923 1.083695 4.444068 6.644521 4.873238 3.110158 4.236694 5.517506 5.668119 4.150689 5.483493 8.182250 4.966534 9.079237 9.317266 7.739907 4.304231 4.309296 2.484306 2.482856 0.000000 C22H19Cl2NO3 C1 1 C1 1 C1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 397.1462999999997 AuxInfo=1/0/N:7;8;9;10;11;12;13;14;15;16;17;18;19;20;21;22;23;24;25;26;27;28;1;2;6;3;4;5;29;30;31;32;33;34;35;36;37;38;39;40;41;42;43;44;45;46;47/rA:47nCl0Cl0O0O0O0N0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:2.182,-1.1912,-2.1006;5.0566,-.7366,-1.7642;-.6784,1.8817,-.2889;-.1023,4.0503,-.0688;-2.7584,-2.6203,-.0317;-3.2532,3.199,1.5133;1.6837,1.4615,1.672;1.8842,.8775,.2939;1.5088,2.3604,.4376;.4747,.9993,2.4624;2.8793,1.7814,2.5485;3.2097,.5213,-.2348;.1943,2.8719,.0078;3.4367,-.3464,-1.2189;-2.0475,2.2167,-.6038;-2.7082,.9253,-1.0444;-2.708,2.7785,.5871;-2.4736,-.2252,-.2916;-3.4977,.8779,-2.1901;-2.9933,-1.4393,-.7213;-4.052,-.344,-2.5813;-3.7966,-1.5071,-1.8602;-1.6206,-2.6764,.7839;-.3517,-2.5291,.2276;-1.7939,-2.9106,2.142;.7644,-2.6041,1.0568;-.6671,-2.9973,2.9622;.61,-2.8391,2.4247;1.0689,.2523,-.045;2.2958,3.0898,.2941;.1398,1.7916,3.1387;.7486,.1298,3.0661;-.3601,.715,1.8253;2.5894,2.5064,3.3144;3.7159,2.2031,1.9897;3.2234,.8742,3.0547;4.0815,.9931,.2034;-2.0799,2.9678,-1.396;-1.8674,-.1774,.6013;-3.67,1.7746,-2.7734;-4.6686,-.3939,-3.471;-4.1978,-2.4632,-2.1742;-.2516,-2.3384,-.8335;-2.7949,-3.0131,2.5435;1.7539,-2.4745,.634;-.7929,-3.1773,4.0237;1.4808,-2.893,3.0675; 0.1791172 0.1256140 0.1072624 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= 746 RedAO= T EigKep= 1.13D-06 NBF= 746 NBsUse= 744 1.00D-06 EigRej= 7.68D-07 NBFU= 744 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= 769 769 769 769 769 MxSgAt= 47 MxSgA2= 47. 1 Closed 1 1 1 -2050.96054677397 -2050.96054677413 -0.000000000167 -2050.96054677 2 2.043975996971e+03 -1.068188711402e+04 3.654814454850e+03 Using DIIS extrapolation, IDIIS= 1040. NGot= 1415577600 LenX= 1414364904 LenY= 1413765054 Requested convergence on RMS density matrix=1.00D-08 within 128 cycles. Requested convergence on MAX density matrix=1.00D-06. Requested convergence on energy=1.00D-06. No special actions if energy rises. Fock matrices will be formed incrementally for 20 cycles. Using compressed storage, NAtomX= 47. Will process 48 centers per pass. Symmetrizing basis deriv contribution to polar: IMax=3 JMax=2 DiffMx= 0.00D+00 Minotr: Closed shell wavefunction. IDoAtm=11111111111111111111111111111111111111111111111 NEqPCM: Using equilibrium solvation (IEInf=0, Eps= 78.3553, EpsInf= 1.7778) Direct CPHF calculation. Differentiating once with respect to electric field. with respect to dipole field. Differentiating once with respect to nuclear coordinates. Requested convergence is 1.0D-08 RMS, and 1.0D-07 maximum. Secondary convergence is 1.0D-12 RMS, and 1.0D-12 maximum. NewPWx=T KeepS1=F KeepF1=F KeepIn=T MapXYZ=F SortEE=F KeepMc=T. 14497 words used for storage of precomputed grid. Two-electron integrals replicated using symmetry. MDV= 1415577600 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= 780000000 NMat= 141 IRICut= 352 DoRegI=T DoRafI=T ISym2E= 2 IDoP0=3 IntGTp=3. There are 144 degrees of freedom in the 1st order CPHF. IDoFFX=6 NUNeed= 3. 141 vectors produced by pass 0 Test12= 6.87D-14 1.00D-09 XBig12= 3.15D+02 5.13D+00. AX will form 141 AO Fock derivatives at one time. 141 vectors produced by pass 1 Test12= 6.87D-14 1.00D-09 XBig12= 5.62D+01 8.64D-01. 141 vectors produced by pass 2 Test12= 6.87D-14 1.00D-09 XBig12= 9.31D-01 7.01D-02. 141 vectors produced by pass 3 Test12= 6.87D-14 1.00D-09 XBig12= 5.36D-03 7.59D-03. 141 vectors produced by pass 4 Test12= 6.87D-14 1.00D-09 XBig12= 1.69D-05 3.29D-04. 134 vectors produced by pass 5 Test12= 6.87D-14 1.00D-09 XBig12= 3.16D-08 1.19D-05. 58 vectors produced by pass 6 Test12= 6.87D-14 1.00D-09 XBig12= 5.14D-11 5.89D-07. 3 vectors produced by pass 7 Test12= 6.87D-14 1.00D-09 XBig12= 7.18D-14 2.50D-08. 1 vectors produced by pass 8 Test12= 6.87D-14 1.00D-09 XBig12= 6.76D-17 1.02D-09. InvSVY: IOpt=1 It= 1 EMax= 5.33D-14 Solved reduced A of dimension 901 with 144 vectors. FullF1: Do perturbations 1 to 3. Isotropic polarizability for W= 0.000000 425.43 Bohr**3. End of Minotr F.D. properties file 721 does not exist. 431.383 -15.345 406.928 29.392 11.701 437.982 445.560 -9.568 428.762 24.718 15.223 466.010 (Enter /usr/local/gaussian/gaussian16/g16/l716.exe) PT109435.300S 2024-10-10T02:38:54.000 -101.57410 -101.57286 -19.19255 -19.17279 -19.13330 -14.33607 -10.32631 -10.29204 -10.28889 -10.24934 -10.24108 -10.23586 -10.20917 -10.20684 -10.20183 -10.20018 -10.19974 -10.18613 -10.18450 -10.18346 -10.18335 -10.18105 -10.18088 -10.18014 -10.17998 -10.17630 -10.16037 -10.15755 -9.48877 -9.48720 -7.25353 -7.25207 -7.24346 -7.24316 -7.24183 -7.24165 -1.13419 -1.08686 -1.04533 -0.93543 -0.92461 -0.89556 -0.88033 -0.86318 -0.84462 -0.81718 -0.77475 -0.77045 -0.75764 -0.75339 -0.73977 -0.72722 -0.69331 -0.67346 -0.64643 -0.62627 -0.62122 -0.61455 -0.59508 -0.58215 -0.56070 -0.55254 -0.54649 -0.52131 -0.51036 -0.50669 -0.49501 -0.48953 -0.48561 -0.48101 -0.47869 -0.46223 -0.45885 -0.44828 -0.44517 -0.43694 -0.43335 -0.42721 -0.42137 -0.41705 -0.41282 -0.40584 -0.40201 -0.39813 -0.39295 -0.38656 -0.38206 -0.38009 -0.37598 -0.37169 -0.36720 -0.36382 -0.35791 -0.35280 -0.34927 -0.34433 -0.33933 -0.33854 -0.33631 -0.33389 -0.32289 -0.30961 -0.28929 -0.27233 -0.26496 -0.26234 -0.24748 -0.23815 -0.04452 -0.03648 -0.02588 -0.02140 -0.01886 -0.01389 -0.00988 0.00016 0.00159 0.00892 0.01436 0.01549 0.01879 0.02018 0.02769 0.03270 0.03534 0.03693 0.03889 0.04426 0.04749 0.05322 0.05454 0.05712 0.06162 0.06593 0.06706 0.07136 0.07390 0.07787 0.08224 0.08375 0.08777 0.09227 0.09389 0.09702 0.09812 0.10114 0.10382 0.10550 0.10868 0.11084 0.11319 0.11739 0.12064 0.12104 0.12264 0.12561 0.12735 0.13050 0.13490 0.13770 0.13853 0.14254 0.14311 0.14645 0.14653 0.15290 0.15388 0.15661 0.15904 0.16141 0.16393 0.16584 0.16730 0.17000 0.17352 0.17690 0.18083 0.18245 0.18341 0.18675 0.18880 0.19019 0.19361 0.19775 0.19871 0.20140 0.20324 0.20531 0.20721 0.21110 0.21439 0.21590 0.21802 0.21881 0.22259 0.22415 0.22578 0.22872 0.22949 0.23135 0.23294 0.23462 0.23638 0.23937 0.24155 0.24335 0.24542 0.24802 0.24947 0.25205 0.25273 0.25613 0.25927 0.26086 0.26491 0.26503 0.26930 0.26947 0.27214 0.27313 0.27528 0.27714 0.28035 0.28529 0.28593 0.28919 0.29101 0.29445 0.29536 0.30092 0.30355 0.30575 0.30911 0.31387 0.31437 0.31776 0.32067 0.32570 0.32937 0.33147 0.33310 0.33613 0.34003 0.34217 0.34358 0.34611 0.35033 0.35536 0.35785 0.35923 0.36430 0.36848 0.37121 0.37309 0.37878 0.38038 0.38581 0.39146 0.39451 0.39722 0.40705 0.41057 0.41258 0.42493 0.42560 0.42868 0.43475 0.44619 0.45295 0.45434 0.46188 0.46486 0.47437 0.47926 0.48525 0.48779 0.49446 0.50006 0.50161 0.50874 0.51011 0.52943 0.53539 0.53913 0.54680 0.54963 0.55580 0.56462 0.56901 0.57172 0.57342 0.57515 0.57783 0.58608 0.58927 0.59579 0.59916 0.60231 0.60391 0.61053 0.61919 0.62604 0.62950 0.63450 0.63822 0.64135 0.64511 0.64853 0.65641 0.66025 0.66433 0.66850 0.66985 0.67299 0.67697 0.68123 0.68409 0.68617 0.69258 0.69675 0.70032 0.70300 0.70578 0.70954 0.71126 0.71599 0.72141 0.72544 0.73046 0.73293 0.73571 0.74226 0.74402 0.74720 0.75156 0.75306 0.75510 0.76081 0.76633 0.77057 0.77437 0.77987 0.78715 0.78845 0.79741 0.80089 0.80430 0.80762 0.81431 0.82354 0.82828 0.83297 0.83531 0.84151 0.84404 0.84783 0.85022 0.85710 0.86371 0.86545 0.86972 0.87589 0.88177 0.88959 0.89657 0.90260 0.90824 0.91365 0.91682 0.92598 0.93248 0.93746 0.94142 0.94419 0.94945 0.95568 0.95977 0.96261 0.96350 0.97066 0.97892 0.98469 0.99009 0.99498 0.99881 1.00559 1.00690 1.01550 1.02143 1.03172 1.04291 1.05109 1.05538 1.06049 1.06946 1.06999 1.07192 1.08276 1.08977 1.09338 1.10260 1.11287 1.12352 1.12580 1.13601 1.14457 1.14955 1.16211 1.16665 1.17883 1.18260 1.18779 1.19315 1.20875 1.21610 1.22582 1.23080 1.24719 1.26021 1.26297 1.28266 1.29227 1.29513 1.30761 1.32095 1.32484 1.33108 1.34048 1.36108 1.37555 1.38562 1.39955 1.40534 1.40705 1.42500 1.43820 1.45253 1.45422 1.46444 1.47768 1.47869 1.48684 1.49655 1.51248 1.51908 1.52594 1.53118 1.53532 1.53911 1.54864 1.55183 1.55731 1.56083 1.56959 1.57372 1.57882 1.58556 1.59020 1.59563 1.60410 1.61316 1.61892 1.62244 1.62910 1.63612 1.64561 1.64897 1.65873 1.66376 1.67206 1.68170 1.68722 1.68944 1.69262 1.69450 1.70602 1.71414 1.72072 1.73192 1.73800 1.74349 1.75302 1.75690 1.76058 1.76780 1.77868 1.78720 1.79572 1.80121 1.81562 1.81760 1.82176 1.82690 1.84431 1.84858 1.85694 1.85770 1.86343 1.88086 1.89022 1.89196 1.90631 1.91718 1.92163 1.93063 1.93232 1.93611 1.94259 1.94952 1.95766 1.96668 1.97076 1.98219 1.98972 1.99521 2.00210 2.00468 2.01184 2.02680 2.03041 2.03662 2.04208 2.04533 2.05476 2.06166 2.06962 2.08543 2.08909 2.09474 2.09683 2.10243 2.10470 2.11398 2.12986 2.13518 2.15883 2.17327 2.19173 2.21119 2.21364 2.23190 2.23267 2.23579 2.24026 2.26513 2.26946 2.27292 2.28648 2.30878 2.32206 2.33643 2.33891 2.34695 2.36079 2.37073 2.39104 2.40300 2.41350 2.42052 2.42650 2.44409 2.46313 2.47589 2.48042 2.49202 2.49630 2.50649 2.51501 2.52577 2.53942 2.54322 2.55391 2.57562 2.58206 2.58909 2.60170 2.61141 2.62994 2.64313 2.65096 2.65910 2.67282 2.67663 2.68980 2.69904 2.70780 2.71381 2.72193 2.73333 2.74043 2.74835 2.75768 2.76355 2.76758 2.77204 2.77323 2.77707 2.78401 2.79028 2.79565 2.80535 2.80766 2.80906 2.81800 2.82648 2.83316 2.83873 2.84827 2.85288 2.86574 2.87110 2.88362 2.88967 2.89500 2.90023 2.90807 2.91252 2.93221 2.94176 2.94623 2.95505 2.96426 2.97182 2.98040 2.99018 3.00186 3.01103 3.01995 3.03816 3.05299 3.05955 3.07565 3.09890 3.10334 3.11143 3.11558 3.14451 3.15015 3.16159 3.17084 3.17262 3.18106 3.18928 3.20640 3.22185 3.24576 3.26446 3.26689 3.29592 3.30899 3.33721 3.35886 3.36305 3.38172 3.38557 3.40182 3.41434 3.44866 3.46421 3.52831 3.54790 3.55959 3.58243 3.59437 3.62968 3.65603 3.66665 3.67420 3.71123 3.71851 3.73501 3.80179 3.82234 3.83985 3.85821 3.86813 3.89679 3.96133 3.99692 4.00739 4.01959 4.02440 4.03855 4.09344 4.13125 4.14370 4.15552 4.15910 4.18036 4.18264 4.22953 4.24372 4.32109 4.36044 4.53464 4.56927 4.65327 4.84165 4.85281 5.09984 5.12978 5.15445 5.23420 5.43225 5.44357 5.65145 5.86524 5.87761 9.75777 9.82619 23.52940 23.60250 23.63144 23.77979 23.80967 23.86341 23.88964 23.94482 23.95863 23.96735 23.98275 23.99420 24.01552 24.02985 24.07104 24.08004 24.09403 24.09978 24.18133 24.18456 24.19659 24.34534 25.83959 25.95864 25.98770 26.21644 26.54556 26.59665 35.86977 49.93644 49.98434 50.01102 215.74887 215.82883 1-A. Mulliken charges: 1 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 Cl Cl O O O N C C C C C C C C C C C C C C C C C C C C C C H H H H H H H H H H H H H H H H H H H 0.360989 0.547213 0.140092 -0.329129 -0.020846 -0.350839 0.092772 0.893806 -0.409236 -0.520869 -0.379190 -1.539898 -0.085601 -0.378736 0.355516 0.628424 -0.409725 0.980935 -0.482440 -0.780035 -0.223035 -0.674401 -0.411034 0.117127 -0.245024 0.085785 -0.040488 -0.389103 0.201258 0.207523 0.172482 0.176847 0.141044 0.174510 0.158449 0.172079 0.198948 0.254555 0.225650 0.162328 0.175252 0.170794 0.181730 0.169476 0.189459 0.170028 0.164558 -0.00000 Mulliken charges with hydrogens summed into heavy atoms: 1 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 Cl Cl O O O N C C C C C C C C C C C C C C C C C C C C C C 0.360989 0.547213 0.140092 -0.329129 -0.020846 -0.350839 0.092772 1.095064 -0.201714 -0.030496 0.125848 -1.340950 -0.085601 -0.378736 0.610071 0.628424 -0.409725 1.206585 -0.320112 -0.780035 -0.047782 -0.503607 -0.411034 0.298857 -0.075549 0.275245 0.129540 -0.224545 0.00000 1.19209533e+00 -1.06742672e+00 -1.10315109e-01 4.31383192e+02 -1.53448227e+01 4.06927539e+02 2.93917194e+01 1.17005709e+01 4.37981686e+02 -5.9653 -0.0013 -0.0007 0.0007 2.3933 8.2704 16.9225 20.8873 28.8451 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 50 51 52 53 54 55 56 57 58 59 60 61 62 63 64 65 66 67 68 69 70 71 72 73 74 75 76 77 78 79 80 81 82 83 84 85 86 87 88 89 90 91 92 93 94 95 96 97 98 99 100 101 102 103 104 105 106 107 108 109 110 111 112 113 114 115 116 117 118 119 120 121 122 123 124 125 126 127 128 129 130 131 132 133 134 135 A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A 16.0591 20.7195 28.7198 31.2969 46.0410 50.6261 54.5429 62.9389 66.7200 78.9441 100.0594 109.8613 135.8879 143.3037 175.4233 197.0919 214.9350 224.6547 232.7055 239.5940 244.1309 256.9100 290.0177 303.0951 312.2364 331.9872 347.7215 370.2368 402.6329 416.4056 423.8052 428.8667 449.6560 472.1417 475.7166 494.3602 496.7325 531.5444 567.3126 580.1336 596.9486 626.6695 635.9668 646.2570 653.0894 661.2780 705.0793 707.9057 724.7412 758.4163 773.1132 799.5282 804.8609 820.0793 847.7582 855.9941 867.9334 892.6311 897.3064 912.3918 914.4282 931.9528 943.9586 962.9081 983.4312 992.7152 993.1787 997.0459 1003.9512 1011.3481 1015.0269 1015.6930 1019.8845 1035.8325 1043.9688 1074.8565 1095.6047 1102.1796 1104.7584 1126.0914 1150.9926 1174.6863 1176.0599 1183.8484 1189.9651 1239.6817 1240.9190 1258.5178 1275.1176 1293.6323 1307.4233 1316.1797 1321.5813 1342.5892 1344.4440 1350.3520 1360.4279 1371.0735 1413.7098 1420.9804 1448.0181 1468.0400 1472.3172 1478.8484 1480.1148 1490.1839 1499.8901 1517.3048 1520.8941 1622.7367 1627.6481 1638.5199 1641.4004 1669.9816 1688.6898 2313.1196 3027.0192 3033.5309 3085.0116 3088.3317 3094.7973 3112.9582 3150.2873 3173.2587 3181.2322 3181.3753 3181.9373 3183.1390 3191.6061 3192.4879 3192.5168 3199.1296 3201.8737 3203.7111 3231.1876 8.8381 5.9737 7.9771 5.6561 5.8806 10.3507 5.0070 8.3272 9.4368 5.3860 8.5049 5.1150 4.8444 3.6123 1.9918 2.4285 4.3591 2.1147 5.0563 4.7905 2.1011 5.3059 5.3407 3.5757 3.8142 5.0924 9.5691 4.9162 2.7150 4.6211 3.0074 5.2173 5.3423 4.2185 3.6351 3.7644 3.6227 4.0166 6.7744 7.3995 5.2359 6.0668 5.3718 6.4277 6.3681 4.6454 2.1908 1.8495 5.1799 4.1203 2.9375 1.5667 2.8200 6.7093 1.2609 3.9927 3.8455 1.8216 1.7048 1.8866 2.9965 1.5457 3.4475 3.4528 1.4850 1.3631 1.4831 1.3360 1.8050 1.4584 3.5988 5.6715 3.6530 2.4878 2.0579 1.4633 1.5068 1.6167 1.6597 2.0109 2.9514 1.3938 1.3599 1.1399 1.1331 2.8940 2.7449 2.2889 3.7405 2.4677 1.7973 1.2666 2.7663 1.3212 1.8431 1.4295 3.1030 1.5110 1.3064 1.2317 1.7221 2.7355 1.0610 2.2517 1.0533 1.0903 1.1543 2.4241 2.3831 5.8900 6.1109 6.1871 6.1159 7.2856 11.5502 12.6667 1.0375 1.0412 1.1022 1.1012 1.0847 1.1007 1.0952 1.0867 1.0881 1.0905 1.0901 1.0892 1.0930 1.0901 1.0886 1.0960 1.0971 1.0954 1.0899 0.0013 0.0015 0.0039 0.0033 0.0073 0.0156 0.0088 0.0194 0.0248 0.0198 0.0502 0.0364 0.0527 0.0437 0.0361 0.0556 0.1186 0.0629 0.1613 0.1620 0.0738 0.2063 0.2647 0.1935 0.2191 0.3307 0.6817 0.3970 0.2593 0.4721 0.3183 0.5654 0.6364 0.5541 0.4847 0.5420 0.5267 0.6686 1.2846 1.4673 1.0993 1.4037 1.2801 1.5817 1.6003 1.1968 0.6417 0.5461 1.6030 1.3963 1.0345 0.5901 1.0763 2.6585 0.5339 1.7237 1.7068 0.8551 0.8087 0.9253 1.4762 0.7910 1.8099 1.8862 0.8462 0.7915 0.8619 0.7825 1.0719 0.8789 2.1845 3.4473 2.2387 1.5727 1.3214 0.9960 1.0657 1.1571 1.1935 1.5024 2.3037 1.1332 1.1082 0.9413 0.9453 2.6204 2.4904 2.1359 3.5832 2.4331 1.8101 1.2928 2.8467 1.4031 1.9628 1.5358 3.3836 1.6735 1.5383 1.4653 2.1275 3.4735 1.3551 2.9014 1.3596 1.4265 1.5300 3.2881 3.2477 9.1382 9.5384 9.7867 9.7083 11.9713 19.4061 39.9310 5.6009 5.6451 6.1804 6.1884 6.1210 6.2845 6.4038 6.4473 6.4882 6.5031 6.5029 6.5021 6.5598 6.5457 6.5373 6.6085 6.6271 6.6244 6.7042 1.8716 1.0365 1.5472 1.4215 4.3917 0.6086 1.2390 1.8143 3.0211 1.4147 3.3498 0.6571 0.3415 1.9841 1.1477 0.6050 5.2728 1.1041 9.7450 6.0449 2.6720 7.2470 12.8539 1.2574 2.2808 0.1355 4.3169 0.8632 3.4558 3.9857 1.5246 19.0503 8.3369 6.3741 2.7942 24.1132 41.9106 20.8671 9.8393 1.7866 0.7657 3.6572 26.5836 34.2393 2.3574 2.3433 69.8051 64.8757 3.5110 33.5487 53.1360 69.8025 55.6165 69.6446 2.0591 67.9793 70.9127 88.4785 73.4013 23.1040 85.2386 8.5040 17.4562 122.2205 24.1477 0.4656 18.1122 1.6777 68.6102 5.0135 10.4799 5.8507 29.5626 192.6666 29.2028 90.5062 23.1717 2.1217 21.0955 188.5002 44.4312 37.8217 46.7874 5.5343 12.3129 150.9691 293.5569 216.6785 535.1818 93.2475 31.1471 24.7663 8.2392 18.1391 0.3434 0.4851 71.0405 24.4101 14.0880 8.3027 32.2437 56.1808 2.7739 9.0010 6.9284 15.7048 7.3850 210.2004 82.0492 240.7129 15.7668 23.0616 49.0050 48.6603 1001.4656 24.9002 30.3397 65.7722 13.1474 65.6108 3.1533 37.1309 17.6685 0.3861 3.3239 1.5639 9.7649 9.6198 23.5844 5.4888 7.1767 8.8703 6.6573 0.5880 4.8026 -0.13 0.19 -0.11 -0.10 -0.11 0.05 0.00 -0.01 0.06 0.06 -0.01 -0.04 0.01 0.03 0.11 -0.10 0.18 -0.22 -0.04 -0.04 0.09 -0.04 -0.05 0.10 -0.00 -0.04 0.08 -0.06 -0.01 0.08 -0.04 -0.07 0.10 -0.04 -0.10 0.11 0.02 -0.02 0.03 -0.08 -0.02 0.03 0.04 0.00 -0.06 0.04 -0.01 -0.02 -0.04 0.10 -0.15 0.02 0.01 0.02 0.06 -0.05 -0.04 0.02 0.00 0.05 0.06 -0.06 -0.00 0.04 -0.04 0.04 0.06 0.02 0.03 0.03 0.03 -0.04 0.15 -0.01 0.04 0.08 0.02 -0.12 0.20 -0.03 -0.04 0.17 -0.01 -0.11 -0.05 -0.02 0.08 0.02 -0.06 0.09 -0.04 -0.01 0.09 -0.09 -0.03 0.06 -0.07 0.03 0.07 -0.03 -0.05 0.09 -0.03 -0.10 0.11 -0.08 -0.07 0.11 -0.02 -0.22 0.19 0.11 -0.05 -0.12 -0.00 0.04 0.03 0.08 -0.07 -0.07 0.08 -0.09 -0.01 0.05 -0.05 0.07 -0.03 0.06 -0.05 0.18 -0.03 0.10 0.05 0.03 -0.18 0.27 -0.05 -0.03 0.21 -0.02 -0.17 0.04 0.02 -0.03 0.04 -0.08 0.14 -0.00 -0.01 -0.06 -0.01 -0.01 -0.03 0.07 -0.04 -0.09 0.08 -0.07 0.09 -0.05 0.01 -0.01 -0.02 -0.02 0.01 -0.01 -0.02 -0.03 -0.07 0.03 -0.03 -0.07 0.02 0.01 -0.00 -0.05 0.06 -0.01 -0.01 -0.05 0.02 -0.04 0.05 -0.02 -0.01 0.01 -0.04 -0.00 0.02 0.04 -0.04 0.05 0.04 -0.03 -0.05 -0.17 0.03 0.10 -0.01 -0.02 -0.03 -0.21 0.05 0.12 -0.13 0.02 0.06 0.06 0.00 -0.08 0.06 -0.08 -0.10 0.06 0.14 -0.06 0.06 -0.02 -0.10 0.06 0.20 -0.05 0.06 0.12 -0.08 -0.01 -0.02 -0.00 -0.00 -0.02 -0.03 -0.09 0.06 -0.07 -0.08 0.06 0.01 -0.05 0.01 -0.04 -0.08 0.03 -0.01 -0.05 0.01 0.03 -0.08 0.03 0.04 -0.01 -0.08 0.11 -0.06 0.00 0.02 0.14 -0.06 -0.11 -0.24 0.05 0.15 -0.31 0.07 0.19 -0.17 0.03 0.07 0.06 -0.18 -0.12 0.06 0.20 -0.05 0.07 -0.08 -0.11 0.06 0.31 -0.04 0.06 0.17 -0.07 0.13 -0.06 0.05 0.11 0.12 0.03 -0.01 -0.02 0.04 0.04 -0.02 -0.12 -0.07 0.02 0.06 -0.07 0.24 -0.20 0.00 -0.02 0.00 0.03 -0.00 -0.00 -0.00 -0.01 0.01 0.01 -0.06 -0.01 -0.01 -0.01 0.01 0.04 0.04 0.00 0.01 -0.02 -0.03 0.09 0.03 0.02 0.01 0.01 -0.05 -0.03 0.01 0.01 -0.03 0.13 -0.13 -0.00 0.01 0.01 -0.13 0.02 0.08 -0.08 0.02 0.07 -0.21 0.03 0.14 -0.18 0.03 0.14 -0.04 -0.03 0.00 -0.05 -0.01 -0.03 0.01 -0.12 -0.01 -0.03 -0.08 -0.07 0.04 -0.19 -0.05 0.02 -0.17 -0.08 0.04 -0.02 -0.02 -0.01 -0.00 0.02 0.01 -0.09 0.02 0.02 -0.08 -0.04 0.01 -0.05 -0.02 -0.03 -0.03 0.02 -0.01 0.02 0.03 0.01 -0.01 0.00 0.02 0.10 -0.01 0.08 -0.05 -0.11 0.07 -0.00 -0.04 -0.15 0.02 0.09 -0.29 0.04 0.20 -0.24 0.04 0.18 -0.08 0.06 -0.02 0.02 -0.13 0.02 -0.04 -0.07 -0.10 0.07 -0.26 -0.06 0.04 -0.23 -0.12 0.00 -0.05 0.02 -0.01 0.11 -0.11 0.00 -0.03 0.07 0.02 -0.03 0.10 0.03 -0.02 -0.04 -0.12 0.07 -0.14 0.02 -0.10 0.05 0.00 -0.05 0.03 0.00 -0.05 0.09 0.02 -0.12 0.04 0.02 -0.14 0.05 -0.00 -0.00 -0.02 0.01 -0.04 0.09 -0.00 0.01 -0.03 0.03 -0.02 -0.02 0.03 -0.02 -0.02 -0.05 0.03 -0.08 0.04 -0.02 -0.04 0.00 -0.01 -0.00 0.02 -0.02 -0.03 -0.02 -0.00 0.01 -0.01 -0.01 -0.00 0.01 0.02 -0.00 0.02 -0.13 -0.01 -0.02 0.22 0.03 0.01 -0.08 0.01 -0.03 0.28 0.05 -0.02 0.12 0.04 0.00 -0.04 0.01 0.00 -0.05 0.11 0.03 -0.15 0.07 0.02 -0.15 0.01 0.01 -0.09 0.04 0.03 -0.17 0.08 0.02 -0.12 0.06 0.03 -0.16 0.01 -0.01 0.03 -0.05 0.09 -0.04 -0.04 0.07 -0.03 -0.05 -0.01 -0.00 0.01 -0.04 0.01 0.02 -0.03 -0.00 0.00 0.04 -0.28 -0.04 -0.03 0.34 0.03 0.02 -0.19 0.00 -0.05 0.44 0.08 -0.03 0.17 0.06 0.08 -0.10 -0.01 0.06 0.03 0.05 -0.02 0.03 -0.09 -0.05 0.02 0.12 -0.11 0.09 0.16 0.05 -0.05 0.08 -0.07 -0.07 -0.05 -0.05 -0.01 -0.07 -0.04 -0.02 -0.01 -0.09 -0.09 -0.09 -0.08 -0.13 -0.01 -0.03 0.01 -0.04 -0.04 0.01 0.01 0.02 -0.02 -0.01 -0.04 0.04 -0.01 -0.04 0.03 -0.01 0.01 -0.01 0.04 -0.11 0.07 0.06 0.07 -0.02 -0.08 -0.06 0.05 0.07 0.10 -0.04 -0.07 0.04 -0.01 0.00 -0.03 0.08 0.07 -0.08 0.05 -0.04 0.08 0.09 0.08 -0.01 0.02 -0.14 0.15 0.07 -0.01 0.10 0.03 -0.12 -0.04 0.00 -0.12 -0.03 -0.01 0.04 -0.08 -0.12 -0.05 -0.11 -0.13 -0.13 -0.08 -0.05 -0.11 -0.09 -0.17 0.03 -0.07 -0.10 0.03 -0.10 -0.16 -0.06 -0.05 0.05 -0.04 -0.08 0.06 0.01 -0.19 0.10 0.11 0.12 -0.05 -0.14 0.19 -0.08 -0.13 0.07 -0.02 0.01 -0.16 0.04 -0.05 0.11 0.12 0.17 -0.04 -0.01 -0.22 0.23 0.08 -0.00 0.16 0.00 -0.20 0.06 0.23 -0.15 0.07 0.13 -0.05 0.06 -0.11 -0.05 0.09 -0.10 -0.17 -0.17 -0.02 0.10 0.20 -0.09 0.08 0.00 -0.02 0.05 0.06 -0.09 0.09 0.04 -0.08 -0.00 -0.03 0.01 0.02 -0.04 0.04 0.08 0.07 -0.07 0.11 0.07 -0.10 -0.09 0.07 0.07 -0.01 0.05 -0.08 -0.02 0.01 -0.06 -0.00 0.13 -0.08 0.03 -0.08 -0.04 0.04 0.06 -0.06 -0.04 -0.12 -0.03 0.06 0.01 -0.04 -0.02 -0.07 -0.03 0.03 -0.15 -0.02 0.07 -0.16 -0.06 0.03 -0.11 0.05 0.09 -0.14 -0.03 0.00 -0.09 0.08 0.06 -0.11 0.04 0.02 0.07 -0.11 0.08 0.05 -0.09 -0.01 -0.09 0.06 -0.06 -0.05 0.07 0.10 0.01 -0.06 -0.00 -0.08 0.09 0.02 -0.02 -0.00 0.09 -0.07 0.07 0.16 0.07 -0.15 0.21 0.04 -0.07 -0.00 -0.12 -0.04 0.07 0.13 -0.07 -0.08 0.05 -0.04 -0.05 -0.10 -0.03 0.04 -0.18 -0.11 0.01 -0.10 0.09 0.12 -0.15 -0.06 -0.03 -0.07 0.14 0.07 -0.09 0.07 -0.00 -0.04 -0.02 0.11 -0.02 -0.02 0.00 -0.01 -0.02 0.09 -0.01 0.00 -0.08 -0.09 -0.01 0.02 -0.06 -0.03 0.02 0.07 0.10 0.03 0.04 0.05 0.05 0.01 0.05 -0.01 0.10 0.09 0.07 0.08 0.18 -0.02 0.03 0.04 0.02 -0.00 0.01 -0.00 -0.00 0.01 0.04 0.00 -0.02 0.05 0.01 -0.02 0.02 -0.03 -0.03 0.03 -0.04 -0.02 0.03 0.07 -0.01 -0.02 -0.04 -0.01 0.00 0.07 0.00 -0.05 0.01 0.00 -0.04 -0.05 -0.04 -0.03 -0.08 -0.16 -0.12 0.01 0.07 -0.00 -0.03 -0.18 -0.18 0.05 0.06 -0.06 0.03 -0.06 -0.15 0.04 0.02 0.10 -0.00 0.05 -0.06 0.08 0.11 0.04 0.15 0.14 0.11 0.10 0.02 0.10 0.08 0.21 -0.06 0.06 0.17 -0.07 0.12 0.21 0.02 0.04 0.06 -0.03 0.02 -0.02 0.05 -0.08 -0.03 0.06 0.11 -0.00 -0.03 0.12 0.01 -0.08 0.01 0.01 -0.05 -0.13 -0.24 -0.14 0.03 0.17 0.06 -0.05 -0.28 -0.25 0.10 0.15 -0.04 0.07 -0.07 -0.20 -0.08 0.04 0.08 -0.06 0.02 -0.05 0.13 0.05 -0.27 -0.07 0.05 0.30 -0.02 0.04 0.06 0.15 -0.14 -0.08 -0.01 0.06 0.02 0.02 0.06 0.02 0.03 0.06 0.02 -0.04 0.07 -0.03 -0.03 0.04 0.06 0.01 0.04 0.02 0.02 0.06 0.03 -0.03 0.03 0.02 0.09 0.00 -0.18 0.09 -0.01 -0.13 0.13 -0.06 -0.12 0.13 0.01 -0.10 -0.01 -0.03 -0.05 0.02 0.01 0.01 -0.10 -0.02 0.05 -0.10 -0.00 0.09 -0.01 -0.01 0.04 -0.01 -0.09 0.02 -0.00 0.01 0.04 0.00 -0.17 -0.00 0.01 -0.07 0.02 0.01 -0.16 -0.00 0.01 0.07 0.02 0.03 0.06 0.04 -0.02 0.04 0.02 -0.11 0.01 -0.08 -0.05 0.16 -0.07 -0.03 0.08 0.03 0.01 -0.01 0.07 -0.08 0.04 0.10 0.02 0.05 -0.00 0.01 0.01 -0.16 0.20 0.02 -0.16 -0.04 -0.05 -0.07 -0.19 -0.04 0.12 -0.18 0.01 0.18 -0.02 -0.11 0.01 -0.00 0.07 0.06 0.00 -0.24 -0.02 0.01 -0.07 0.02 0.02 -0.23 -0.02 0.08 0.13 -0.14 0.10 -0.16 0.11 -0.02 -0.01 0.04 -0.14 -0.01 0.29 -0.08 -0.01 0.04 -0.22 -0.05 -0.12 0.13 0.03 -0.06 0.08 0.07 -0.09 0.01 0.05 -0.03 0.20 -0.06 -0.01 0.17 0.06 -0.13 0.08 0.06 -0.09 -0.06 0.00 0.11 0.09 0.03 -0.06 -0.01 -0.03 -0.01 -0.00 -0.03 -0.02 -0.10 -0.03 -0.05 -0.03 -0.02 0.00 -0.01 -0.03 -0.01 -0.06 -0.01 0.02 -0.04 -0.02 0.01 -0.07 -0.01 0.03 -0.07 -0.01 0.03 -0.07 -0.00 0.02 -0.06 0.01 0.03 -0.07 0.02 0.02 -0.06 0.03 0.03 -0.06 0.04 0.02 0.09 0.05 -0.07 -0.04 0.10 -0.05 0.20 -0.10 0.04 0.28 -0.07 -0.05 0.18 -0.08 0.03 0.17 -0.01 -0.06 0.10 0.16 -0.16 0.28 0.06 -0.20 0.09 0.01 -0.04 0.02 -0.03 -0.01 -0.02 -0.02 -0.00 0.01 -0.03 -0.02 -0.05 -0.01 0.02 -0.10 -0.01 0.05 -0.08 -0.01 0.02 -0.06 0.01 0.04 -0.07 0.03 0.01 -0.05 0.05 0.03 -0.06 0.06 0.02 -0.01 -0.06 0.08 -0.01 0.02 -0.06 0.03 -0.08 -0.03 -0.01 -0.08 0.12 -0.05 -0.01 -0.01 0.01 -0.05 -0.05 0.06 0.01 0.06 0.03 -0.06 0.09 0.03 -0.06 0.02 0.06 0.07 0.10 0.06 0.07 0.03 0.03 -0.06 0.06 0.01 -0.08 0.04 0.01 -0.04 0.04 0.03 -0.05 -0.04 -0.01 -0.03 -0.04 0.03 -0.04 -0.04 -0.05 -0.02 -0.02 -0.02 -0.02 -0.03 -0.07 -0.02 -0.01 -0.06 -0.01 -0.01 -0.08 -0.01 0.00 -0.02 0.02 -0.04 -0.04 0.19 -0.05 0.03 -0.08 -0.05 -0.03 0.29 -0.07 0.05 0.01 -0.07 0.02 0.21 -0.08 0.03 -0.09 0.14 0.02 -0.06 -0.03 0.05 0.12 0.03 0.05 0.11 0.16 0.06 0.02 0.11 0.07 0.14 -0.03 0.06 0.02 -0.01 0.06 0.11 0.10 0.03 -0.04 0.03 0.05 -0.04 -0.04 -0.04 -0.02 -0.02 0.01 -0.02 -0.04 -0.07 0.00 0.00 -0.11 -0.00 0.01 -0.08 0.27 -0.04 0.04 -0.23 -0.05 -0.05 0.44 -0.07 0.08 -0.06 -0.08 0.03 0.30 -0.09 0.02 -0.01 -0.05 0.01 0.02 0.01 -0.04 -0.05 -0.08 -0.13 -0.07 0.24 0.04 -0.07 -0.06 0.29 0.45 0.00 0.00 0.04 -0.01 -0.03 -0.05 0.02 -0.04 -0.05 -0.06 0.01 0.09 0.04 0.00 0.13 -0.05 -0.03 -0.05 0.02 -0.07 -0.06 0.04 -0.01 -0.02 -0.00 -0.07 -0.02 0.02 -0.11 -0.02 0.08 0.09 0.17 0.02 -0.10 -0.03 0.07 -0.04 -0.03 0.03 0.01 -0.05 -0.02 0.07 -0.05 -0.05 0.10 -0.06 -0.08 0.02 -0.05 -0.04 0.03 -0.09 -0.02 -0.01 -0.00 -0.03 0.01 -0.08 0.00 -0.03 0.01 -0.01 -0.02 -0.02 0.01 -0.02 -0.09 0.08 -0.06 -0.05 -0.12 -0.01 0.14 -0.04 0.02 0.15 0.12 0.02 0.01 0.06 0.00 0.21 -0.12 -0.00 0.08 -0.10 0.02 0.19 0.05 -0.03 -0.06 0.03 -0.08 -0.07 -0.03 -0.14 -0.03 0.10 -0.03 -0.03 0.03 0.14 -0.06 -0.11 0.20 -0.08 -0.15 0.05 -0.13 -0.02 -0.02 0.02 -0.05 0.02 -0.11 0.02 -0.05 0.06 -0.00 -0.03 -0.01 0.03 0.05 -0.07 -0.13 0.02 0.07 0.00 -0.02 0.02 -0.00 0.06 -0.01 0.08 0.02 0.06 0.02 -0.18 -0.11 -0.02 0.00 0.03 0.01 -0.06 -0.13 0.06 0.02 -0.09 -0.08 -0.03 0.23 0.08 0.02 0.08 -0.04 -0.07 -0.17 0.06 0.02 -0.03 0.00 -0.03 -0.09 -0.00 -0.02 0.05 0.00 -0.00 0.05 -0.02 -0.07 -0.02 0.01 0.02 0.06 -0.01 -0.01 0.04 -0.01 0.02 0.05 0.00 0.00 0.03 0.00 0.02 0.04 0.01 0.02 0.05 0.02 0.03 -0.01 0.03 0.01 0.04 0.02 0.02 -0.08 0.02 0.00 -0.03 0.02 0.01 -0.10 0.02 -0.09 -0.14 0.13 0.05 -0.15 -0.18 0.00 0.37 -0.06 -0.08 0.32 0.25 -0.04 0.15 0.12 0.07 0.22 -0.15 0.05 -0.06 -0.10 -0.04 0.14 0.11 -0.07 -0.20 0.10 -0.01 0.07 0.03 0.03 0.07 -0.02 -0.03 0.04 -0.01 -0.01 0.02 0.01 0.02 0.03 0.01 0.04 0.00 0.03 0.00 0.08 0.02 0.03 -0.13 0.02 -0.01 -0.05 0.02 0.01 -0.17 0.02 0.00 -0.05 -0.07 -0.02 0.06 0.08 0.07 0.06 0.03 0.02 0.09 0.01 -0.06 -0.09 -0.00 0.03 0.04 -0.03 -0.01 0.03 -0.02 -0.08 0.05 -0.04 0.04 0.08 0.01 -0.05 0.18 0.02 0.06 -0.17 -0.04 -0.10 0.01 -0.04 0.04 0.10 0.02 -0.07 0.00 -0.02 0.06 -0.03 0.02 0.10 -0.06 0.04 0.04 -0.01 -0.00 0.08 -0.08 0.02 0.09 -0.04 0.04 0.01 -0.06 0.03 0.03 -0.01 0.04 -0.02 -0.01 0.04 -0.05 -0.13 -0.02 -0.06 -0.09 -0.04 -0.03 -0.12 -0.02 -0.06 0.04 -0.04 -0.02 0.01 -0.02 -0.03 0.12 -0.03 -0.12 0.11 -0.07 0.07 0.04 -0.00 0.02 0.27 -0.05 -0.11 0.22 0.10 -0.07 0.19 0.04 0.15 -0.29 0.11 0.05 -0.11 -0.02 0.05 -0.28 -0.23 -0.10 0.02 -0.05 0.03 -0.05 0.00 0.10 -0.10 0.01 0.12 -0.03 0.05 0.02 0.03 0.05 -0.08 0.01 0.05 -0.08 -0.13 -0.05 -0.02 -0.16 -0.00 -0.07 0.10 -0.05 0.01 0.05 -0.01 -0.03 0.25 -0.02 -0.02 -0.02 -0.03 -0.03 0.06 0.09 -0.03 -0.02 -0.01 -0.02 -0.02 -0.09 0.01 0.04 0.00 0.14 -0.04 0.04 0.05 -0.01 0.05 -0.06 -0.00 0.03 -0.05 -0.00 0.06 0.14 -0.05 0.15 0.16 -0.06 -0.08 -0.08 0.01 -0.01 -0.04 -0.02 0.00 -0.06 0.01 0.00 -0.02 0.00 -0.07 -0.03 0.01 -0.07 0.01 -0.01 -0.04 -0.01 0.02 -0.06 -0.04 -0.01 -0.06 -0.00 0.02 -0.03 -0.04 -0.03 -0.03 -0.02 -0.01 -0.01 0.01 0.06 0.01 0.02 0.04 0.01 0.01 0.05 0.01 0.02 -0.01 0.01 0.00 -0.01 0.00 0.01 -0.05 0.01 -0.08 -0.00 0.08 -0.05 -0.01 0.01 0.33 -0.16 0.38 0.15 -0.20 -0.07 0.00 0.17 0.23 0.23 -0.20 0.08 0.05 0.09 -0.14 0.29 -0.11 -0.28 -0.08 0.02 -0.02 0.01 0.01 -0.06 0.01 0.05 -0.07 -0.06 -0.02 -0.08 -0.05 -0.05 -0.02 -0.02 -0.02 0.01 0.03 0.06 0.02 0.00 0.07 0.00 0.02 -0.04 0.01 -0.00 -0.03 0.00 0.01 -0.11 0.00 0.01 -0.05 -0.07 -0.02 0.01 0.02 0.01 0.03 0.02 0.02 0.03 -0.00 -0.01 -0.01 0.01 0.02 -0.00 0.00 -0.01 0.00 0.03 -0.01 0.01 0.01 -0.01 0.01 0.03 0.03 -0.11 0.02 -0.06 0.14 0.04 -0.04 -0.00 -0.03 0.01 0.03 0.01 -0.04 -0.01 -0.03 0.02 0.01 -0.00 0.04 -0.01 -0.00 0.01 0.00 -0.00 0.05 -0.01 -0.01 0.03 -0.00 0.00 0.01 -0.00 0.01 0.01 0.01 0.01 -0.00 0.01 0.02 -0.01 -0.03 -0.00 -0.02 -0.02 -0.01 -0.01 -0.03 0.00 -0.01 0.02 -0.01 -0.00 0.01 -0.00 -0.01 0.04 -0.00 -0.03 0.02 0.03 -0.00 0.01 0.06 0.15 -0.28 0.27 0.03 -0.30 -0.25 -0.05 0.12 0.02 -0.07 0.44 -0.24 0.05 -0.14 -0.01 -0.22 0.28 0.39 -0.03 -0.01 -0.05 0.01 0.00 -0.00 0.06 -0.02 -0.02 0.03 0.00 0.01 -0.00 0.01 0.02 -0.03 0.01 0.03 -0.02 -0.03 -0.01 -0.00 -0.05 0.00 -0.02 0.04 -0.01 0.00 0.02 0.00 -0.01 0.08 -0.00 0.02 -0.04 -0.04 -0.01 -0.02 -0.00 -0.02 -0.03 0.15 -0.05 -0.01 -0.01 0.00 0.02 0.01 0.11 0.01 0.03 -0.01 -0.00 0.02 0.00 0.04 -0.01 -0.02 0.03 0.06 -0.03 0.01 0.00 -0.04 0.03 0.04 -0.01 0.05 -0.06 -0.03 -0.00 0.07 -0.02 0.02 -0.04 0.02 -0.02 -0.00 0.05 -0.02 -0.07 -0.02 -0.01 -0.03 0.04 -0.01 -0.07 0.04 -0.01 -0.06 -0.01 -0.00 -0.02 -0.02 -0.00 -0.01 -0.06 0.00 0.02 0.01 0.05 0.01 0.01 0.05 0.01 0.01 0.04 0.01 0.01 0.00 0.01 0.01 -0.01 0.00 0.01 -0.04 0.00 0.00 0.04 -0.02 -0.03 0.05 0.07 -0.33 0.21 -0.37 0.08 0.33 0.40 0.15 -0.44 -0.02 -0.07 0.05 0.01 -0.03 0.03 0.05 -0.04 0.05 0.08 -0.01 0.06 -0.08 0.11 -0.02 -0.00 0.05 -0.02 -0.08 0.05 -0.02 -0.07 -0.06 0.00 0.01 -0.13 0.02 0.06 0.01 0.07 0.02 0.01 0.05 0.01 0.01 -0.01 0.01 0.01 -0.03 0.00 0.01 -0.09 -0.00 0.01 0.02 0.02 0.02 -0.01 -0.03 -0.07 0.08 0.03 0.08 0.05 0.02 -0.08 0.04 0.10 0.04 0.02 0.07 -0.00 -0.02 0.00 -0.00 -0.04 0.01 -0.02 -0.04 -0.01 0.02 -0.05 0.01 0.00 0.03 -0.02 0.02 -0.04 0.04 -0.01 0.03 0.01 0.03 -0.02 0.02 -0.07 0.06 -0.02 0.00 0.02 -0.07 -0.07 0.03 -0.01 0.19 -0.01 -0.17 -0.17 0.02 0.04 0.13 -0.01 -0.09 -0.02 -0.03 -0.01 0.15 -0.05 -0.09 -0.07 -0.07 0.06 -0.09 -0.07 0.01 -0.01 -0.09 0.07 -0.06 0.02 -0.03 0.03 -0.01 0.03 0.00 0.09 -0.02 0.01 -0.06 0.03 -0.02 -0.05 -0.02 -0.10 0.00 -0.10 0.09 0.06 0.13 0.08 -0.21 0.01 -0.05 -0.10 0.08 -0.09 0.22 -0.02 0.16 0.02 -0.16 0.01 -0.05 0.07 -0.06 0.07 -0.01 0.25 0.00 -0.21 -0.38 0.04 0.14 -0.08 -0.05 0.03 0.19 -0.07 -0.09 -0.14 -0.10 0.00 0.02 -0.13 0.12 -0.08 0.06 -0.08 0.09 0.00 0.04 0.03 0.19 -0.04 0.05 0.01 0.01 0.02 -0.05 -0.05 -0.03 0.00 0.05 -0.02 0.01 -0.01 -0.01 -0.00 0.01 0.03 0.02 0.03 0.01 0.02 0.02 0.01 0.03 0.01 0.01 0.03 0.03 -0.03 0.14 0.04 0.01 -0.10 0.06 0.03 0.03 -0.01 -0.02 0.01 0.03 0.04 0.02 -0.01 -0.03 -0.01 0.01 -0.03 -0.02 -0.02 -0.04 -0.01 0.00 0.00 -0.02 -0.05 -0.06 -0.02 -0.00 0.00 -0.03 -0.03 -0.03 -0.04 -0.02 0.01 -0.04 -0.04 -0.01 0.03 0.01 -0.02 0.04 0.01 -0.01 0.04 0.01 -0.01 0.00 -0.01 0.00 -0.00 0.00 0.00 -0.03 -0.01 0.01 0.04 -0.01 -0.00 0.04 0.02 0.25 0.08 0.24 -0.20 -0.06 -0.17 -0.18 0.49 0.07 0.14 0.12 -0.10 0.17 -0.42 0.05 -0.27 -0.09 0.26 0.03 0.04 -0.03 -0.01 -0.01 0.01 0.01 -0.01 -0.05 -0.11 -0.02 0.01 -0.03 -0.04 -0.01 0.03 -0.05 -0.05 -0.02 0.05 0.01 -0.00 0.05 0.02 -0.01 -0.01 -0.02 0.01 -0.01 0.00 0.01 -0.08 -0.03 0.08 -0.00 -0.01 0.00 -0.06 -0.09 -0.08 0.16 0.00 0.13 0.14 0.02 0.04 -0.04 -0.05 0.06 -0.01 0.08 -0.01 0.02 0.05 0.00 -0.01 0.05 -0.03 0.00 0.04 0.00 -0.00 0.06 -0.00 0.03 0.03 0.02 -0.05 0.07 -0.01 0.11 0.02 0.04 -0.03 0.05 -0.11 0.07 -0.06 -0.03 -0.00 -0.05 -0.11 0.04 -0.04 -0.11 0.03 0.05 0.08 -0.10 -0.13 -0.08 0.00 0.06 -0.02 -0.09 -0.02 -0.14 -0.03 0.11 0.04 -0.05 -0.05 0.06 -0.07 -0.03 0.01 -0.05 -0.06 0.03 -0.02 0.02 -0.03 0.01 -0.02 -0.01 0.04 0.03 -0.00 -0.01 0.07 -0.02 -0.01 0.04 0.02 -0.03 0.10 0.02 -0.03 0.03 -0.01 0.02 0.07 -0.08 -0.21 0.24 -0.13 0.33 0.06 0.22 -0.02 -0.22 0.02 -0.08 0.11 -0.13 0.05 -0.07 -0.13 0.06 0.07 0.19 -0.15 -0.25 0.01 -0.13 -0.03 -0.19 -0.04 0.19 0.09 -0.09 -0.03 -0.01 -0.07 -0.10 0.04 -0.02 0.05 -0.06 0.03 -0.01 -0.04 0.10 0.06 -0.09 0.07 0.09 0.05 0.06 0.05 -0.06 0.02 0.15 0.07 0.01 0.07 0.01 -0.01 -0.00 0.05 0.08 0.07 -0.01 -0.04 -0.12 -0.03 -0.09 -0.08 0.02 -0.08 -0.14 -0.01 -0.01 -0.11 0.00 -0.02 -0.15 0.00 -0.07 0.03 0.01 -0.01 0.01 0.02 -0.04 0.03 -0.03 -0.01 0.04 0.07 -0.03 -0.07 -0.09 -0.02 0.03 0.07 -0.03 -0.09 0.11 -0.04 -0.10 -0.01 -0.02 -0.02 -0.01 -0.02 -0.02 -0.13 0.00 0.06 0.01 0.02 -0.00 0.01 0.02 0.01 0.01 0.02 -0.00 0.01 0.01 0.01 0.00 -0.00 -0.00 0.01 -0.01 0.00 -0.02 -0.10 -0.08 0.05 -0.11 -0.18 0.11 -0.06 0.01 -0.06 -0.11 -0.24 -0.08 0.15 -0.08 0.08 0.23 -0.35 0.09 -0.28 -0.21 -0.16 0.06 0.10 -0.02 -0.06 0.07 0.01 0.02 0.07 0.09 -0.04 -0.10 0.16 -0.06 -0.15 -0.04 -0.01 0.00 -0.27 0.03 0.15 0.01 0.03 0.01 0.01 0.02 -0.00 0.01 0.01 0.01 0.00 -0.01 -0.00 0.01 -0.03 0.00 -0.04 0.01 0.02 0.01 0.02 0.05 -0.01 0.04 -0.04 0.11 0.03 0.01 0.01 -0.01 -0.01 0.00 -0.05 0.00 0.05 -0.05 0.01 0.01 -0.01 -0.01 0.01 -0.03 0.03 0.04 -0.01 0.02 0.05 -0.05 0.01 -0.00 0.06 -0.07 0.03 0.01 0.01 -0.01 0.04 -0.05 -0.03 0.03 -0.05 -0.06 0.01 0.01 -0.01 0.03 -0.04 -0.08 0.03 0.04 -0.06 -0.02 0.00 -0.02 0.00 0.02 -0.02 -0.04 -0.01 0.02 -0.03 -0.01 0.01 -0.02 -0.01 0.01 -0.03 -0.01 0.00 -0.03 -0.01 0.01 -0.01 0.00 -0.01 0.00 -0.00 -0.00 0.02 0.01 0.01 -0.02 -0.00 0.02 -0.03 0.03 -0.14 0.13 -0.23 0.09 0.19 0.28 0.14 -0.28 0.00 0.15 0.27 -0.25 0.20 -0.42 -0.04 -0.22 0.03 0.33 -0.01 0.10 -0.11 -0.04 0.01 -0.07 -0.10 0.04 0.05 -0.07 -0.04 -0.02 0.00 -0.06 -0.02 0.09 -0.06 -0.03 0.01 -0.04 -0.01 -0.00 -0.03 -0.02 0.01 -0.01 0.01 -0.01 0.01 -0.00 -0.01 0.05 0.02 -0.02 -0.03 -0.03 -0.02 0.03 0.02 0.06 0.09 -0.04 0.17 0.11 0.05 0.00 -0.08 -0.03 -0.04 0.08 -0.02 0.03 0.03 0.01 0.03 0.02 0.02 0.06 0.03 0.00 0.03 -0.05 -0.05 0.01 0.05 0.04 -0.00 -0.03 0.02 0.08 0.09 -0.00 -0.03 -0.03 0.01 -0.01 -0.06 0.06 0.00 -0.09 0.04 0.00 -0.07 0.08 -0.01 -0.13 -0.02 -0.05 -0.09 0.07 -0.03 -0.12 -0.06 -0.03 -0.09 0.01 0.00 -0.13 -0.07 -0.03 0.12 0.01 -0.04 0.21 0.01 -0.04 0.19 0.02 -0.03 0.05 -0.03 -0.02 0.02 -0.02 -0.02 -0.16 -0.06 0.00 0.04 0.03 0.08 0.00 0.02 -0.10 -0.08 -0.07 0.07 -0.02 -0.02 0.09 -0.14 -0.10 -0.07 -0.08 0.13 -0.05 0.22 0.07 0.13 0.03 -0.08 0.01 -0.07 0.02 -0.13 -0.05 0.07 -0.03 -0.16 -0.01 -0.11 -0.07 0.11 -0.04 -0.04 0.01 0.03 -0.13 -0.11 -0.06 0.30 0.02 -0.04 0.26 0.03 -0.03 0.03 -0.04 -0.01 -0.04 -0.03 -0.00 -0.39 -0.11 -0.03 -0.00 -0.00 0.01 0.03 0.01 -0.01 -0.01 0.25 0.01 0.01 0.05 0.01 -0.02 -0.02 0.14 -0.21 -0.02 -0.01 0.03 -0.05 0.01 0.01 -0.04 0.05 0.03 -0.05 -0.04 0.02 -0.11 -0.04 0.04 -0.02 0.01 -0.06 0.03 0.02 0.02 0.07 -0.00 -0.06 0.03 0.08 0.01 -0.11 -0.03 -0.00 0.06 -0.00 0.14 -0.26 -0.09 0.02 0.12 -0.09 -0.01 0.10 -0.00 0.00 0.04 -0.01 -0.02 0.04 0.12 -0.04 -0.03 -0.00 0.01 -0.02 -0.01 0.03 -0.02 -0.02 0.03 -0.02 -0.01 0.00 -0.02 -0.03 0.01 -0.02 -0.03 -0.02 -0.02 -0.00 0.04 -0.05 0.05 0.03 -0.06 0.06 -0.07 0.05 -0.10 -0.12 -0.28 -0.08 0.21 -0.13 -0.11 -0.07 0.05 -0.09 0.19 0.01 0.06 0.03 -0.12 0.01 -0.10 0.06 0.30 -0.15 -0.26 -0.13 0.03 0.14 -0.12 -0.01 0.11 0.01 -0.03 0.03 0.28 -0.08 -0.12 -0.01 0.04 -0.02 -0.03 0.04 -0.04 -0.01 0.00 -0.01 -0.03 0.01 -0.02 -0.03 -0.05 -0.02 -0.06 -0.04 -0.03 -0.00 0.02 0.05 0.00 -0.04 0.04 0.10 -0.04 0.04 -0.01 0.02 0.02 -0.02 0.04 0.01 0.08 0.05 0.02 0.08 0.01 0.02 0.07 -0.02 -0.02 -0.01 0.07 -0.11 -0.01 0.04 0.15 0.02 0.06 -0.08 0.05 -0.05 0.02 -0.04 0.04 -0.09 -0.01 -0.01 0.03 -0.06 0.03 -0.06 -0.01 -0.03 0.05 -0.10 0.02 -0.07 -0.05 0.02 -0.08 -0.06 -0.01 -0.05 -0.05 0.01 -0.06 -0.06 -0.00 -0.06 0.01 -0.02 0.02 0.03 -0.08 0.03 0.05 -0.07 0.02 0.03 -0.03 0.04 0.05 -0.01 0.03 0.05 0.05 0.05 0.08 -0.02 0.08 0.06 -0.01 -0.09 0.08 -0.02 0.03 -0.17 -0.10 -0.28 -0.03 0.31 -0.19 -0.17 -0.20 0.32 -0.06 0.32 0.27 0.12 -0.02 -0.06 0.04 0.08 -0.14 0.03 0.04 0.08 -0.11 0.02 -0.05 -0.05 0.02 -0.09 -0.05 0.00 -0.06 -0.06 0.01 -0.08 0.04 -0.12 0.02 0.06 -0.11 0.04 0.03 -0.04 0.02 0.04 -0.01 0.03 0.05 0.13 0.06 0.00 0.01 0.03 0.02 -0.05 0.01 -0.02 -0.02 -0.01 0.13 -0.04 0.03 0.01 -0.01 -0.01 0.01 -0.02 0.00 -0.06 -0.08 0.01 -0.06 -0.09 -0.01 -0.06 -0.13 0.00 -0.07 0.06 0.10 -0.07 0.07 -0.03 -0.04 0.15 -0.15 0.01 -0.07 0.01 0.02 0.16 -0.14 0.00 0.01 -0.01 0.04 -0.01 0.03 0.00 0.02 -0.02 0.08 -0.00 0.04 0.04 -0.02 0.04 0.05 0.01 0.04 0.04 -0.02 0.04 0.03 0.00 0.06 -0.00 0.01 -0.01 -0.02 0.05 -0.03 -0.03 0.04 -0.02 -0.02 0.02 -0.03 -0.04 0.01 -0.03 -0.04 -0.03 -0.04 -0.03 -0.15 0.01 -0.03 -0.16 -0.02 0.16 0.11 0.16 -0.18 -0.01 0.04 -0.19 0.26 0.17 -0.20 -0.09 0.07 -0.22 0.35 -0.04 0.20 0.10 -0.15 -0.09 0.29 -0.19 0.00 -0.01 -0.03 0.10 0.00 0.02 0.04 -0.02 0.04 0.04 -0.02 0.04 0.03 -0.01 0.09 -0.03 0.07 -0.02 -0.04 0.07 -0.04 -0.02 0.03 -0.01 -0.03 0.01 -0.03 -0.04 -0.08 -0.04 -0.08 -0.03 -0.03 0.05 0.03 0.03 -0.05 -0.01 -0.03 -0.10 -0.06 -0.04 0.02 0.07 0.03 -0.02 0.03 0.06 0.10 0.06 0.02 0.09 0.01 0.04 0.03 0.01 -0.02 0.05 0.02 -0.08 0.03 -0.03 0.18 0.05 -0.04 -0.02 -0.04 -0.04 -0.02 -0.01 -0.06 -0.03 -0.06 0.05 -0.00 0.01 0.02 -0.01 -0.06 0.03 0.03 0.15 0.08 0.02 0.01 -0.10 -0.01 0.11 0.07 0.10 0.05 -0.14 0.06 0.07 -0.05 0.17 0.02 0.02 -0.06 0.00 0.03 -0.09 -0.07 0.03 -0.09 -0.04 0.02 -0.05 -0.12 0.01 -0.07 -0.11 -0.00 -0.06 0.08 -0.02 0.11 -0.00 0.03 -0.09 -0.02 -0.01 -0.08 0.02 -0.00 -0.10 0.11 0.03 -0.15 -0.04 -0.12 0.23 0.10 -0.01 0.30 -0.07 -0.11 0.11 0.08 -0.08 -0.05 -0.07 0.07 0.02 0.21 0.13 -0.02 -0.04 -0.14 -0.06 0.05 -0.23 0.07 0.08 -0.10 0.31 -0.00 0.05 -0.09 -0.11 0.07 -0.18 -0.01 0.02 0.01 -0.13 0.01 -0.07 -0.13 -0.02 -0.04 -0.23 -0.02 -0.01 0.33 -0.00 -0.04 0.01 0.07 -0.05 -0.11 0.08 -0.05 0.01 -0.07 -0.05 0.02 -0.02 -0.01 -0.05 -0.03 0.04 -0.01 0.02 -0.03 -0.05 0.05 0.10 0.00 0.03 0.19 -0.09 0.03 0.08 -0.00 -0.14 -0.11 -0.05 0.09 0.00 0.07 -0.16 -0.12 -0.01 -0.00 -0.02 0.01 -0.02 0.03 0.00 0.01 -0.03 -0.04 -0.05 0.00 0.03 0.05 0.02 -0.04 -0.04 -0.04 -0.01 0.09 -0.02 -0.04 0.04 -0.06 -0.03 -0.02 0.04 -0.02 0.00 0.06 0.02 0.01 0.07 0.01 0.01 0.02 0.06 -0.00 0.03 0.06 -0.02 0.01 -0.06 0.09 -0.04 -0.05 0.07 0.20 0.14 0.10 0.17 0.05 0.07 0.23 -0.09 0.03 0.31 -0.20 -0.09 0.15 -0.14 0.18 0.12 0.02 0.02 -0.01 0.00 -0.17 -0.07 -0.06 -0.04 -0.05 -0.05 -0.08 0.02 0.08 0.08 0.05 -0.01 0.14 -0.02 -0.07 0.08 -0.13 -0.04 -0.01 0.05 0.05 -0.00 0.12 -0.01 0.02 -0.03 0.08 -0.01 0.04 0.07 -0.05 -0.01 -0.02 0.00 0.00 0.05 -0.00 -0.02 0.10 -0.04 0.07 0.04 0.02 0.01 -0.06 0.15 0.14 -0.02 0.06 -0.06 -0.09 -0.05 -0.01 -0.03 0.06 -0.06 0.02 0.06 0.09 -0.07 -0.00 0.08 -0.04 0.04 -0.13 -0.01 -0.03 -0.00 0.05 0.03 0.05 0.01 -0.04 0.01 0.08 -0.06 0.06 -0.01 0.02 -0.07 0.10 -0.16 0.11 -0.06 0.07 -0.01 -0.10 -0.06 -0.03 -0.02 0.05 0.03 -0.05 -0.11 0.01 0.06 -0.09 -0.00 0.07 0.05 -0.09 0.09 -0.03 -0.08 0.01 -0.04 -0.13 0.03 -0.05 0.01 -0.08 -0.00 -0.04 -0.06 0.06 0.02 -0.06 0.17 -0.18 0.01 0.10 0.24 0.02 0.03 0.08 -0.06 0.00 0.08 -0.12 0.02 0.14 -0.03 0.07 -0.15 -0.14 0.09 -0.23 0.10 0.11 -0.10 -0.01 -0.05 0.03 0.09 0.05 0.16 -0.10 0.09 0.02 -0.19 -0.09 -0.05 -0.07 -0.16 0.02 0.16 -0.14 0.03 0.15 -0.04 -0.08 -0.03 -0.05 -0.23 0.07 -0.09 0.09 -0.15 0.00 -0.05 -0.10 0.13 0.08 -0.02 -0.01 -0.02 0.02 0.00 -0.00 -0.01 -0.01 -0.03 0.02 -0.03 -0.02 0.05 -0.03 -0.06 -0.02 -0.00 0.02 0.00 -0.05 0.08 0.05 0.03 0.06 -0.02 0.02 0.18 -0.15 0.01 -0.11 0.13 0.06 -0.11 0.03 -0.00 0.01 -0.01 -0.03 0.07 -0.00 -0.02 0.01 -0.01 0.03 -0.00 -0.02 0.02 -0.00 0.01 0.04 0.02 0.01 0.02 -0.01 0.01 -0.00 -0.02 0.03 0.00 0.01 0.01 -0.01 0.00 -0.01 0.00 0.03 -0.02 -0.02 0.03 -0.04 -0.01 0.02 -0.02 0.01 0.04 -0.02 0.02 -0.02 0.01 -0.00 0.01 0.00 -0.01 -0.02 0.05 0.07 -0.00 -0.08 0.10 0.26 -0.21 0.02 -0.14 -0.41 -0.08 -0.11 -0.05 0.17 -0.30 0.27 0.15 -0.15 -0.01 0.03 -0.34 0.29 0.13 -0.09 0.07 -0.05 -0.02 -0.01 0.03 0.00 0.03 0.03 -0.02 0.01 -0.02 -0.05 0.01 -0.04 0.00 -0.02 0.00 0.05 -0.07 -0.02 0.01 -0.01 0.01 0.07 -0.03 0.03 -0.04 0.05 -0.01 0.01 0.02 -0.02 -0.04 -0.01 -0.00 0.00 0.02 -0.01 -0.00 -0.04 0.04 -0.05 -0.02 0.02 -0.02 -0.17 0.05 0.19 0.03 -0.03 0.01 0.04 0.01 0.06 -0.00 -0.05 0.08 -0.05 -0.04 0.04 -0.05 -0.00 -0.09 0.10 0.01 0.00 -0.01 -0.00 -0.00 -0.04 0.02 0.01 -0.00 0.04 -0.04 -0.04 -0.02 -0.02 0.04 -0.08 0.09 -0.06 0.04 -0.07 0.06 -0.12 -0.02 0.02 0.03 0.12 -0.11 -0.05 -0.01 0.07 0.08 -0.04 -0.05 0.02 -0.07 0.07 0.02 -0.11 0.12 0.04 -0.05 0.07 0.00 -0.13 0.06 -0.03 0.07 -0.03 0.03 -0.02 0.00 -0.01 0.07 0.01 -0.12 0.17 -0.04 -0.07 -0.04 -0.15 -0.04 -0.10 -0.18 -0.05 -0.10 0.04 0.05 -0.24 0.19 0.05 0.00 0.06 -0.03 -0.08 0.11 0.01 -0.00 -0.01 0.00 -0.02 -0.09 -0.11 -0.10 0.11 -0.21 -0.05 0.03 0.09 0.22 0.16 0.16 -0.11 -0.10 0.06 -0.14 0.25 0.12 -0.03 0.04 0.02 -0.21 0.09 -0.05 0.14 -0.15 0.08 -0.02 -0.03 0.00 0.12 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.01 -0.00 0.02 -0.01 -0.03 0.01 0.01 -0.01 0.01 0.00 0.01 -0.00 -0.01 0.01 -0.01 -0.01 -0.00 -0.00 -0.00 -0.01 0.01 0.00 0.00 -0.01 -0.00 -0.00 -0.01 0.01 0.00 -0.00 0.01 -0.01 -0.00 -0.01 -0.00 0.02 -0.01 -0.02 -0.02 -0.05 -0.00 -0.01 0.01 0.02 0.01 0.00 -0.01 0.03 0.01 0.00 -0.02 0.01 0.02 0.03 0.01 0.00 -0.01 -0.00 0.02 -0.03 0.21 0.05 -0.01 -0.20 -0.01 0.00 -0.20 -0.04 -0.01 0.20 0.03 0.00 -0.00 -0.01 -0.00 -0.02 0.03 -0.00 -0.01 -0.02 -0.02 -0.01 -0.01 -0.01 -0.01 -0.02 0.01 0.00 -0.03 0.02 0.00 0.00 0.01 -0.01 -0.00 0.01 -0.00 0.00 -0.01 0.00 0.00 -0.01 0.01 0.01 -0.04 0.04 0.04 0.01 0.01 -0.01 -0.07 0.01 0.05 0.04 0.01 0.00 -0.05 0.44 0.08 0.01 -0.44 -0.04 0.01 -0.43 -0.10 -0.00 0.45 0.07 0.01 -0.00 -0.02 -0.00 -0.00 -0.01 -0.02 0.02 0.01 0.03 -0.04 -0.01 0.01 -0.06 0.01 -0.03 -0.03 0.02 -0.11 -0.08 0.09 -0.04 -0.04 -0.04 0.04 0.07 -0.07 0.05 0.04 0.01 0.02 0.01 0.08 -0.07 -0.00 -0.03 0.04 0.01 -0.00 0.05 -0.05 -0.01 0.00 -0.05 0.05 0.04 0.11 0.03 -0.09 0.06 0.06 0.15 0.36 0.04 0.07 -0.05 -0.14 -0.03 -0.04 0.01 -0.07 -0.05 -0.03 0.10 -0.09 -0.09 -0.15 -0.08 0.02 0.00 -0.01 -0.02 0.01 0.06 0.01 0.02 -0.05 -0.02 0.01 -0.05 0.01 0.00 0.06 0.01 0.01 -0.01 0.02 0.03 0.15 -0.19 0.01 0.11 0.13 0.13 0.06 0.08 0.07 0.05 0.11 -0.07 -0.00 0.19 -0.13 -0.01 -0.04 -0.07 0.04 -0.00 -0.04 0.02 -0.01 0.05 -0.00 -0.01 0.12 0.02 -0.06 0.24 -0.13 -0.25 -0.06 -0.08 -0.04 0.27 -0.09 -0.20 -0.23 -0.06 0.06 0.03 0.15 0.03 0.02 -0.10 -0.03 0.02 -0.11 -0.00 -0.02 0.14 0.02 0.01 -0.03 0.02 0.01 -0.01 0.04 0.05 -0.05 -0.01 0.07 0.03 0.07 -0.13 0.07 -0.03 0.03 0.01 -0.02 -0.06 -0.03 0.00 -0.00 0.09 0.05 -0.11 -0.13 0.14 0.01 -0.03 -0.06 -0.03 -0.05 -0.06 0.07 -0.00 0.00 -0.11 -0.09 0.06 0.01 0.10 -0.01 -0.01 0.25 -0.22 0.10 0.05 0.04 -0.00 0.05 -0.02 0.18 0.12 0.07 -0.05 0.02 -0.05 -0.01 -0.05 -0.04 0.00 -0.01 -0.04 -0.03 -0.08 0.01 -0.02 -0.09 -0.01 -0.01 0.02 0.02 -0.02 -0.01 0.01 -0.01 -0.01 0.02 -0.01 -0.00 -0.01 0.00 -0.02 -0.00 -0.01 0.02 -0.01 -0.13 -0.18 0.28 0.12 -0.18 -0.23 -0.23 -0.18 -0.02 0.05 -0.08 -0.13 0.09 -0.13 -0.17 0.20 0.02 0.03 0.07 -0.08 -0.05 0.01 -0.05 -0.04 -0.13 -0.18 0.21 0.14 0.05 0.04 -0.08 0.00 -0.02 -0.04 -0.09 -0.10 -0.06 -0.07 0.03 -0.02 -0.10 0.02 -0.04 -0.05 -0.00 -0.01 -0.03 0.02 -0.01 -0.02 -0.03 0.02 -0.05 -0.00 -0.00 0.04 -0.01 -0.02 -0.07 -0.00 -0.04 0.01 0.04 -0.01 -0.00 -0.02 0.00 -0.02 0.02 -0.01 -0.00 0.01 0.02 0.01 0.03 -0.07 -0.02 -0.03 0.16 0.06 0.00 0.06 0.06 -0.01 -0.02 -0.01 0.08 -0.06 -0.03 -0.08 0.18 -0.11 0.14 0.02 -0.02 -0.05 -0.01 0.25 -0.22 -0.04 -0.01 -0.01 0.01 -0.02 -0.00 -0.12 -0.02 -0.04 0.01 -0.01 0.02 0.01 0.01 0.00 0.00 0.00 0.01 -0.00 0.02 0.00 0.01 0.02 -0.00 0.00 -0.02 -0.01 0.01 0.00 -0.00 0.01 0.00 -0.01 0.00 0.00 0.01 -0.00 0.01 0.00 0.00 -0.01 0.00 0.18 0.15 -0.20 -0.02 0.17 0.20 0.07 0.03 0.09 0.06 0.03 0.10 -0.09 -0.03 0.19 -0.00 -0.01 -0.08 -0.07 -0.07 -0.11 -0.07 -0.03 -0.08 0.28 -0.49 0.35 -0.05 -0.02 -0.02 0.00 0.00 0.02 0.01 0.03 0.02 -0.01 0.02 0.01 0.01 0.03 -0.01 0.01 0.02 0.00 0.00 0.02 -0.01 0.00 0.02 0.01 -0.01 0.03 0.00 0.00 -0.02 0.00 0.00 -0.00 0.01 0.02 -0.01 -0.01 -0.00 -0.02 0.04 0.04 0.02 0.01 0.03 -0.04 -0.07 0.05 0.01 -0.08 -0.02 0.06 0.00 -0.04 0.01 0.02 -0.00 0.02 -0.01 0.00 -0.01 -0.01 0.00 -0.00 -0.00 -0.04 -0.02 0.02 -0.00 0.02 0.01 -0.01 0.04 -0.03 0.00 -0.05 -0.01 -0.11 0.02 0.01 0.01 -0.16 -0.01 0.08 0.03 -0.04 -0.16 0.07 0.05 -0.12 0.06 0.15 0.18 -0.03 -0.14 -0.06 0.07 0.11 -0.01 -0.03 0.01 -0.01 0.00 0.02 -0.01 -0.00 0.01 0.00 0.01 -0.00 0.01 0.01 0.00 0.01 -0.02 -0.01 -0.05 0.01 0.04 0.01 0.00 -0.05 -0.07 -0.06 0.01 0.07 -0.01 -0.04 0.03 -0.06 -0.03 0.06 -0.00 0.02 0.02 -0.04 -0.00 -0.05 -0.04 -0.02 -0.04 -0.04 0.05 0.01 -0.01 0.03 0.40 0.03 -0.25 -0.20 0.08 0.07 0.52 -0.17 -0.36 0.05 0.04 0.06 -0.03 0.02 0.02 0.00 -0.01 0.03 -0.00 0.03 -0.01 0.02 0.03 0.01 0.01 -0.03 -0.01 -0.01 -0.01 -0.01 0.01 -0.00 -0.00 -0.01 -0.01 -0.02 0.04 -0.01 0.02 0.11 0.11 -0.04 0.02 -0.01 -0.00 -0.03 0.05 0.01 0.01 0.03 0.02 -0.00 0.01 -0.01 -0.02 -0.01 0.02 -0.00 -0.01 -0.01 0.01 0.02 0.00 -0.00 -0.02 -0.02 -0.00 -0.00 0.01 -0.02 -0.05 0.01 -0.00 -0.06 0.10 -0.04 0.01 -0.04 0.03 -0.06 0.02 0.03 -0.05 0.08 -0.01 0.01 -0.06 0.03 -0.01 -0.02 -0.07 -0.02 -0.02 -0.01 0.28 0.09 -0.02 -0.02 0.01 -0.05 -0.02 0.03 0.00 -0.11 -0.06 -0.01 -0.12 -0.03 -0.04 0.19 -0.01 0.02 0.02 0.02 -0.02 0.03 -0.01 -0.06 -0.05 0.04 0.04 -0.01 -0.01 -0.00 -0.05 0.01 0.08 -0.00 0.02 0.01 -0.06 -0.03 -0.05 -0.05 -0.05 0.02 0.02 -0.02 -0.05 -0.11 -0.05 0.06 -0.14 0.00 0.08 -0.03 0.11 0.08 0.07 -0.07 -0.09 -0.02 -0.00 -0.08 -0.30 -0.05 -0.04 -0.31 -0.01 0.02 -0.41 -0.12 0.06 -0.41 -0.07 -0.04 0.28 0.00 -0.02 -0.01 -0.02 0.06 -0.02 -0.03 -0.02 -0.07 -0.00 0.14 -0.07 0.07 -0.03 -0.01 0.03 -0.01 -0.00 0.02 -0.13 0.26 0.06 -0.03 0.11 0.07 0.01 0.05 -0.06 -0.06 -0.05 0.05 0.00 -0.03 -0.04 -0.05 0.06 0.01 0.02 -0.10 -0.06 -0.02 -0.00 0.04 -0.02 -0.00 0.00 -0.00 -0.00 -0.01 -0.02 0.04 -0.01 -0.00 0.00 0.00 0.03 0.01 -0.03 0.05 -0.01 -0.02 -0.03 0.02 0.03 0.03 0.01 -0.00 0.01 -0.06 -0.02 0.01 0.00 -0.01 0.01 0.01 -0.01 -0.00 0.03 0.01 -0.00 0.03 0.01 0.00 -0.04 0.00 -0.04 0.10 0.10 -0.04 0.09 -0.12 -0.31 -0.26 0.17 0.23 -0.05 -0.09 0.02 -0.25 0.02 0.36 -0.01 0.08 0.05 -0.25 -0.13 -0.20 -0.19 -0.20 -0.03 0.12 -0.09 0.03 -0.01 -0.01 -0.06 0.02 0.04 0.05 0.01 -0.04 -0.10 0.02 0.08 -0.02 0.02 0.02 0.02 0.07 0.01 0.00 0.08 -0.01 -0.00 0.09 0.03 -0.02 0.09 0.02 0.00 -0.06 -0.00 -0.04 -0.03 -0.05 -0.03 0.02 0.02 0.01 0.06 0.07 -0.10 0.08 0.00 0.00 -0.01 -0.02 0.00 -0.00 -0.03 -0.07 0.01 0.05 0.18 -0.10 0.14 -0.02 -0.10 -0.12 -0.10 -0.04 0.09 -0.02 -0.03 -0.06 0.20 0.14 -0.04 0.00 0.09 -0.08 0.03 -0.06 0.08 0.04 0.01 0.01 0.02 0.02 -0.02 0.06 -0.03 0.02 -0.01 0.01 -0.01 -0.03 0.00 0.01 -0.04 0.01 0.02 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.01 -0.00 0.00 0.32 -0.31 0.18 0.04 -0.16 -0.09 -0.08 -0.04 0.10 -0.07 -0.04 0.08 -0.11 -0.03 0.11 0.19 -0.01 0.00 -0.05 -0.12 -0.18 -0.02 -0.08 -0.14 0.25 0.35 -0.35 0.04 0.03 0.03 0.01 0.01 -0.03 -0.06 -0.01 0.00 0.04 -0.03 -0.03 0.05 -0.03 -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 0.01 -0.00 0.00 -0.02 -0.03 -0.02 -0.01 0.01 0.01 -0.16 0.01 0.07 0.12 0.08 0.00 0.01 0.07 0.06 0.00 -0.07 -0.18 0.02 0.03 -0.06 0.06 0.01 -0.01 -0.19 -0.02 0.03 0.07 0.04 -0.05 -0.03 -0.02 -0.00 0.10 -0.01 0.07 -0.18 0.00 0.09 0.02 0.03 0.00 -0.09 -0.07 -0.02 -0.18 -0.03 0.12 0.38 -0.05 0.06 0.03 -0.03 0.02 0.06 -0.01 -0.04 0.19 -0.02 -0.12 -0.02 0.04 -0.03 -0.03 0.06 0.02 0.03 -0.04 0.01 0.00 -0.00 -0.02 -0.01 -0.02 0.01 -0.01 0.02 -0.01 -0.02 0.02 0.02 -0.03 -0.03 -0.02 0.12 -0.10 0.03 -0.28 0.07 -0.02 0.12 0.07 -0.05 0.06 0.04 -0.05 0.04 0.07 -0.02 -0.04 -0.04 0.01 0.04 -0.06 0.07 -0.14 -0.07 -0.02 0.12 -0.13 0.14 -0.16 -0.10 -0.05 -0.04 -0.01 0.07 0.23 -0.00 -0.07 -0.09 0.05 0.02 -0.28 0.10 0.19 -0.02 0.06 -0.01 -0.02 0.07 -0.00 -0.00 0.09 0.02 0.00 0.11 0.03 -0.02 -0.01 -0.03 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.01 0.00 -0.01 0.00 0.00 -0.00 0.14 -0.20 0.22 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.01 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.01 0.00 -0.00 0.00 0.00 -0.00 0.01 0.02 -0.01 -0.04 0.06 -0.10 0.00 0.01 -0.01 -0.13 -0.06 -0.15 -0.02 0.24 -0.10 0.00 -0.24 0.10 0.10 0.13 0.11 0.05 0.01 0.05 0.20 0.05 0.12 0.07 0.05 -0.16 -0.04 0.00 0.07 -0.00 -0.01 -0.12 -0.12 -0.05 0.10 -0.22 0.05 -0.12 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 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.01 -0.00 -0.00 0.00 0.01 -0.01 0.01 0.03 0.05 0.02 -0.11 0.08 -0.17 -0.06 0.20 -0.14 0.08 0.00 0.13 -0.08 0.14 -0.19 -0.09 -0.09 -0.20 -0.13 -0.09 -0.19 0.09 -0.17 0.05 0.02 -0.17 0.09 -0.19 0.02 -0.15 -0.02 -0.02 -0.01 0.00 -0.00 -0.00 -0.10 0.02 -0.00 0.07 -0.04 -0.01 -0.09 -0.15 -0.07 -0.04 0.01 -0.01 -0.00 0.06 -0.04 0.01 0.02 -0.02 -0.12 -0.01 0.04 0.06 0.04 -0.05 -0.04 -0.01 -0.02 0.04 0.01 0.05 -0.11 -0.07 0.08 0.01 0.03 0.02 0.01 0.10 -0.05 0.20 0.00 -0.15 0.15 0.02 0.09 0.02 0.01 -0.01 0.01 0.01 0.00 -0.18 0.00 0.16 -0.02 -0.00 0.09 0.11 -0.03 -0.02 -0.06 0.10 -0.05 -0.01 0.04 0.03 0.04 0.07 -0.05 -0.00 -0.07 0.04 0.04 -0.05 -0.05 0.06 0.08 0.08 0.05 -0.04 0.01 -0.21 0.07 -0.01 0.07 0.03 -0.03 0.10 0.04 -0.06 0.05 0.02 -0.02 -0.03 -0.04 0.01 0.02 -0.05 0.05 -0.14 -0.07 -0.04 0.05 -0.07 0.12 -0.01 0.18 0.02 0.05 0.04 -0.03 -0.16 0.02 0.06 -0.05 -0.02 0.12 0.36 -0.07 -0.21 0.09 -0.13 0.01 0.07 -0.14 -0.03 -0.01 -0.28 -0.04 -0.04 -0.30 -0.10 0.06 0.03 0.08 -0.01 -0.01 -0.01 0.00 -0.00 -0.00 -0.01 0.01 -0.02 0.01 -0.01 -0.01 0.03 0.06 0.07 -0.00 0.01 0.00 0.00 0.02 -0.02 -0.00 -0.01 0.00 -0.04 -0.00 0.02 0.03 0.01 -0.02 -0.02 -0.01 -0.01 0.01 0.02 0.03 -0.03 -0.02 0.03 0.01 0.02 0.02 0.02 0.03 -0.01 0.08 0.01 -0.02 -0.00 -0.00 0.01 -0.04 -0.01 -0.03 0.01 0.01 0.04 -0.08 -0.01 0.01 0.02 0.01 0.03 -0.03 -0.05 -0.04 -0.02 -0.06 0.12 0.09 -0.08 0.23 -0.29 -0.06 0.04 0.33 0.07 -0.06 -0.09 0.08 -0.27 0.03 -0.04 -0.14 0.01 -0.03 0.01 -0.06 0.01 -0.00 0.04 0.01 -0.02 0.05 0.02 -0.03 0.02 0.01 -0.01 -0.03 -0.01 -0.01 0.00 -0.01 0.01 -0.05 -0.02 -0.02 0.01 0.01 0.05 0.01 0.05 0.01 -0.03 -0.08 -0.04 -0.04 0.01 0.06 0.05 0.07 0.01 0.02 -0.04 -0.14 -0.10 -0.01 0.22 -0.26 0.03 0.14 0.29 0.23 -0.10 0.09 0.24 -0.23 -0.19 -0.07 0.16 -0.04 -0.04 -0.04 0.02 -0.01 -0.01 0.01 0.01 -0.04 0.02 -0.04 -0.02 0.15 0.15 -0.03 0.01 0.02 0.01 0.00 0.03 -0.06 -0.02 -0.03 0.02 -0.07 -0.01 0.06 0.09 0.04 -0.06 -0.06 -0.02 -0.05 0.02 0.08 0.10 -0.04 -0.04 0.08 0.02 0.08 0.09 0.06 0.08 -0.01 0.16 0.04 -0.00 -0.05 -0.04 0.00 -0.05 0.01 -0.02 0.02 -0.05 0.13 -0.14 0.06 -0.03 0.03 -0.03 0.01 -0.10 -0.11 -0.09 0.09 -0.05 0.02 -0.01 -0.05 -0.13 0.07 -0.09 0.06 -0.11 0.07 -0.03 -0.00 0.04 0.18 -0.08 -0.10 -0.04 0.03 -0.10 0.03 -0.09 -0.00 -0.01 0.12 0.04 -0.05 0.13 0.05 -0.07 0.06 0.02 -0.02 -0.10 -0.03 -0.05 -0.01 -0.02 0.03 -0.13 -0.04 -0.04 -0.01 0.11 0.13 0.05 0.11 0.02 -0.02 -0.17 -0.03 -0.06 -0.05 0.16 0.13 0.14 -0.07 0.05 -0.14 -0.20 -0.08 0.11 -0.10 0.02 0.09 -0.00 -0.09 0.30 0.10 0.03 0.29 0.23 0.01 -0.00 -0.16 -0.10 -0.09 -0.09 0.06 -0.03 -0.04 0.10 -0.05 -0.03 -0.01 0.03 -0.01 -0.06 -0.06 0.01 -0.01 0.00 0.05 0.04 -0.11 -0.06 -0.11 -0.05 0.05 0.01 0.01 0.01 0.09 0.02 -0.07 -0.02 -0.02 -0.05 0.00 0.23 0.26 0.04 0.05 0.03 0.05 0.21 0.24 0.02 -0.09 0.04 -0.11 -0.02 0.01 -0.09 0.06 -0.03 0.02 0.00 0.01 -0.04 0.02 -0.08 0.10 -0.02 0.00 -0.02 0.01 -0.03 0.04 0.07 0.06 -0.03 0.02 -0.02 -0.00 0.03 0.03 -0.01 0.04 -0.03 0.02 -0.04 0.02 0.01 -0.02 -0.05 0.03 0.05 0.03 -0.01 -0.12 -0.03 0.10 -0.10 -0.06 0.16 0.09 -0.12 0.04 0.04 -0.02 0.07 0.05 -0.04 -0.21 0.01 -0.15 -0.01 0.06 0.04 0.01 0.06 0.08 -0.10 0.37 0.33 0.07 -0.14 0.00 0.01 0.11 0.01 0.03 0.02 -0.10 -0.06 -0.11 0.00 -0.05 0.08 0.15 0.04 -0.03 0.03 0.01 -0.03 -0.01 0.01 -0.14 -0.04 -0.02 -0.14 -0.08 0.01 0.01 0.05 -0.01 -0.01 -0.01 0.01 -0.00 -0.00 -0.03 0.04 0.00 -0.02 -0.05 -0.01 -0.08 -0.03 -0.02 0.07 0.01 -0.09 -0.00 0.01 -0.00 -0.01 0.01 -0.01 0.02 -0.00 0.00 0.01 0.00 -0.00 -0.01 -0.00 -0.01 -0.00 0.02 0.02 0.01 -0.03 0.02 0.00 0.02 0.02 0.04 0.18 -0.02 -0.06 0.23 0.10 -0.07 -0.21 -0.05 -0.12 0.06 -0.11 0.05 0.07 0.12 0.13 -0.09 -0.18 0.22 -0.05 0.22 -0.08 -0.18 0.06 -0.08 0.01 -0.06 -0.04 0.02 0.05 0.02 0.04 -0.06 -0.03 -0.03 0.05 0.03 -0.01 -0.07 0.08 0.03 0.06 -0.01 0.02 -0.02 0.01 0.01 -0.01 0.01 -0.01 0.01 0.03 0.00 -0.01 0.00 -0.01 0.01 -0.01 -0.00 -0.01 -0.00 0.00 0.00 -0.01 -0.00 -0.00 -0.01 0.02 0.03 0.04 0.28 0.06 -0.24 -0.03 -0.03 -0.02 -0.08 -0.09 0.22 0.06 0.22 -0.42 -0.06 0.15 0.06 -0.03 0.05 0.06 -0.01 0.01 -0.06 -0.10 -0.05 -0.06 -0.10 -0.09 0.07 0.01 0.07 0.03 0.03 0.03 -0.02 0.01 0.02 0.11 -0.04 -0.06 0.01 0.02 -0.04 -0.02 -0.02 0.00 -0.00 0.01 0.06 -0.05 0.15 -0.09 0.08 -0.17 0.14 -0.05 0.03 0.19 0.12 0.06 -0.09 -0.18 -0.03 -0.13 0.02 -0.06 -0.10 -0.01 0.03 0.16 -0.01 -0.08 -0.08 0.05 -0.05 0.03 -0.05 0.00 0.01 -0.11 0.04 -0.03 -0.01 0.01 -0.00 -0.03 0.02 -0.03 0.06 -0.01 -0.02 0.01 -0.01 -0.01 0.01 0.02 0.03 -0.02 0.00 -0.01 -0.01 0.01 0.01 0.00 0.02 -0.01 -0.00 -0.01 0.01 0.01 -0.01 -0.02 0.01 0.02 0.01 0.06 -0.21 0.26 -0.04 0.01 0.14 0.13 0.00 -0.02 0.33 0.08 -0.16 0.08 -0.02 0.01 -0.10 -0.10 -0.03 -0.11 -0.09 -0.07 -0.33 -0.16 -0.26 0.05 0.06 -0.29 0.08 -0.08 0.01 -0.02 0.05 0.01 -0.00 0.01 -0.05 -0.00 -0.06 -0.00 -0.07 0.03 0.10 0.01 -0.00 0.01 0.01 -0.00 -0.00 -0.00 -0.05 -0.01 -0.01 -0.05 -0.03 0.01 0.00 0.02 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.01 0.02 0.00 -0.00 -0.02 -0.00 0.00 -0.01 0.01 -0.01 0.00 0.01 -0.00 0.01 0.00 -0.00 0.00 -0.01 0.00 -0.01 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.01 0.01 0.00 0.00 0.00 0.00 0.02 -0.02 0.12 -0.05 -0.08 0.02 0.02 0.02 -0.04 0.01 0.07 -0.08 -0.00 0.05 0.08 -0.01 -0.04 0.08 -0.02 -0.12 -0.06 0.04 0.03 0.01 -0.07 -0.00 0.01 0.05 0.00 -0.01 0.05 0.02 0.02 -0.08 -0.02 -0.00 -0.09 -0.00 -0.02 0.06 -0.00 -0.00 0.01 -0.01 -0.01 0.00 -0.01 -0.01 -0.01 0.01 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.01 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.01 0.01 -0.00 0.04 -0.00 -0.34 0.06 0.27 -0.40 0.10 0.30 -0.09 0.01 -0.01 -0.34 0.08 0.25 -0.01 0.26 0.04 -0.02 0.28 0.05 0.02 0.02 0.01 0.02 0.03 0.02 -0.03 0.30 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 0.01 0.01 -0.00 0.01 -0.00 -0.01 -0.00 0.00 -0.00 0.00 -0.00 0.01 0.01 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.01 0.00 0.00 0.00 0.00 0.00 -0.00 0.01 0.00 -0.06 0.03 0.05 -0.01 -0.02 -0.01 0.03 -0.00 -0.03 0.05 -0.01 -0.02 -0.05 0.02 0.02 -0.06 0.01 0.05 0.02 -0.02 -0.03 0.01 -0.10 -0.01 0.00 0.06 0.01 -0.01 0.06 0.03 0.01 -0.12 -0.03 0.00 -0.12 -0.01 -0.01 0.07 0.00 -0.00 0.00 0.00 0.01 -0.00 0.00 0.00 0.00 -0.00 0.01 0.00 -0.00 0.00 -0.00 0.00 -0.01 -0.00 -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 0.21 -0.06 -0.15 0.24 -0.07 -0.16 0.06 0.01 -0.03 0.21 -0.06 -0.17 -0.03 0.43 0.07 -0.03 0.45 0.09 0.00 0.12 0.02 0.01 0.12 0.04 -0.04 0.49 0.07 -0.00 0.00 -0.01 0.01 -0.01 -0.01 -0.07 0.16 0.05 -0.09 -0.14 -0.02 -0.03 -0.08 0.04 0.02 0.00 -0.07 -0.01 0.01 -0.02 0.00 -0.06 0.10 0.23 0.05 0.06 0.03 0.01 -0.02 -0.08 -0.02 -0.08 -0.05 0.03 0.01 0.13 -0.06 0.05 -0.03 0.02 0.03 -0.10 0.20 -0.10 -0.04 0.01 0.07 0.08 -0.11 0.04 0.08 -0.01 0.09 0.01 -0.08 0.01 0.01 0.00 0.00 -0.12 0.01 -0.13 -0.02 0.05 -0.07 0.04 -0.01 0.03 0.05 0.02 -0.02 -0.02 0.01 0.04 0.06 0.03 -0.03 -0.02 0.01 0.04 -0.05 0.02 -0.03 -0.08 0.12 -0.03 0.27 0.00 0.06 0.02 -0.03 0.02 0.15 0.02 -0.07 0.03 -0.05 0.02 -0.12 -0.01 -0.10 -0.11 0.02 -0.08 -0.04 0.01 -0.06 -0.08 0.24 -0.15 -0.22 0.25 -0.04 0.12 -0.04 0.06 0.15 -0.05 0.01 -0.09 0.06 -0.15 0.01 0.03 -0.03 0.01 -0.14 -0.05 -0.03 -0.16 -0.04 0.10 -0.18 0.01 0.05 -0.19 0.01 -0.05 -0.22 -0.05 0.02 0.01 0.01 0.04 -0.01 -0.01 -0.09 -0.01 0.05 -0.00 0.01 0.06 0.03 0.05 -0.02 -0.00 -0.02 -0.02 0.04 -0.12 -0.00 0.05 0.01 0.21 0.05 0.11 0.01 0.08 0.01 -0.05 -0.08 -0.04 -0.07 -0.09 0.01 0.01 0.05 -0.01 -0.21 -0.16 -0.00 0.01 -0.10 -0.06 -0.00 0.02 -0.05 -0.05 0.07 0.03 0.01 -0.03 -0.03 -0.04 0.02 0.05 -0.01 -0.03 -0.02 0.03 0.08 0.01 0.07 0.03 -0.02 0.03 -0.02 0.07 -0.00 -0.03 -0.04 0.01 0.01 -0.03 -0.04 -0.05 -0.01 0.02 0.01 -0.00 -0.04 0.03 -0.05 0.01 -0.03 0.12 0.18 0.05 0.16 0.26 0.20 0.13 -0.14 -0.04 0.03 0.04 0.06 0.08 -0.05 -0.18 -0.02 -0.13 -0.11 0.01 -0.08 -0.01 0.02 -0.01 -0.04 0.12 -0.23 -0.13 -0.09 -0.03 -0.08 0.00 -0.01 -0.18 0.08 0.10 -0.04 0.00 0.16 -0.05 0.02 0.01 -0.02 0.08 0.04 0.02 0.11 0.01 -0.08 0.25 0.02 -0.05 0.27 0.00 0.02 0.26 0.06 -0.02 -0.01 -0.01 -0.02 0.00 0.01 0.00 0.07 -0.02 -0.03 -0.05 -0.05 0.03 0.02 -0.01 -0.00 -0.01 -0.01 -0.03 0.07 -0.01 -0.03 -0.05 -0.08 0.13 -0.03 0.03 -0.04 0.00 0.03 0.01 0.01 0.01 0.03 0.00 0.00 0.03 -0.01 0.15 0.11 0.01 0.01 -0.09 -0.03 -0.01 -0.02 -0.06 -0.02 0.04 0.02 0.00 -0.02 -0.05 -0.02 0.00 0.04 -0.04 -0.01 -0.04 0.03 0.04 0.02 0.04 0.04 0.01 0.03 -0.03 0.15 0.01 -0.04 -0.07 0.01 0.02 -0.05 -0.05 -0.05 -0.02 0.02 0.01 -0.00 -0.05 0.04 -0.09 0.01 -0.04 0.01 -0.16 0.17 -0.10 -0.14 -0.12 -0.10 0.11 0.10 -0.01 -0.05 -0.03 -0.08 0.04 0.03 0.02 0.01 0.01 0.02 0.01 0.02 0.01 -0.00 -0.03 0.10 0.03 -0.18 -0.07 -0.04 -0.03 0.01 -0.02 -0.10 0.07 0.04 -0.05 -0.04 0.11 -0.04 0.05 0.03 -0.01 0.08 0.04 0.02 0.10 -0.00 -0.11 0.42 0.04 -0.08 0.43 0.01 0.01 0.44 0.09 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.01 0.02 0.00 -0.00 -0.01 -0.00 0.01 0.01 0.02 -0.01 0.01 0.01 0.00 -0.00 0.00 0.00 0.00 0.00 0.01 -0.00 0.00 0.00 0.00 -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 -0.02 0.07 -0.04 -0.06 0.01 0.01 0.02 -0.01 -0.02 0.01 -0.08 0.03 0.04 0.09 -0.03 -0.05 -0.04 0.02 0.03 -0.07 0.03 0.07 -0.01 0.00 -0.00 -0.02 -0.00 0.01 0.00 0.00 -0.02 -0.02 -0.00 0.01 0.00 0.00 -0.03 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 -0.01 -0.00 -0.00 -0.01 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.01 -0.01 -0.02 -0.01 -0.02 -0.19 0.03 0.12 0.40 -0.08 -0.27 0.54 -0.14 -0.36 0.37 -0.05 -0.26 -0.00 -0.02 0.01 0.01 0.01 -0.01 -0.04 -0.01 -0.02 -0.03 0.02 -0.03 0.01 0.00 0.01 0.01 0.00 0.00 0.01 -0.00 -0.00 0.02 -0.03 0.01 0.01 0.01 0.02 -0.06 -0.13 0.01 0.00 0.02 0.01 0.01 -0.02 0.00 0.01 0.04 0.00 -0.10 -0.02 -0.02 0.02 -0.00 -0.01 0.00 0.00 0.01 -0.00 0.01 -0.00 -0.02 -0.00 -0.05 -0.05 -0.01 -0.00 0.11 0.10 -0.01 -0.01 0.06 0.04 -0.05 -0.05 0.00 0.04 0.02 0.06 -0.02 -0.04 0.01 0.05 -0.02 -0.01 -0.07 -0.01 -0.08 -0.00 0.03 -0.02 -0.00 0.19 0.04 0.03 -0.04 -0.03 0.01 -0.05 -0.00 0.03 -0.01 -0.01 -0.01 -0.02 0.01 -0.01 -0.10 -0.02 0.04 -0.04 0.07 -0.12 0.02 0.04 0.04 0.04 -0.05 -0.05 0.00 0.03 0.01 0.04 -0.02 0.02 -0.01 0.02 0.01 -0.02 0.01 -0.02 -0.02 -0.01 0.04 -0.12 0.05 0.20 0.16 0.04 0.03 0.04 0.07 0.14 -0.07 -0.08 -0.01 -0.01 -0.13 -0.03 0.02 0.06 0.03 -0.03 -0.02 -0.00 -0.04 -0.02 0.03 0.41 0.10 -0.02 0.42 0.09 -0.06 0.53 0.09 0.04 0.02 0.02 0.07 -0.01 -0.02 0.03 -0.01 -0.09 0.03 0.00 -0.10 0.00 0.00 0.00 -0.00 0.00 0.01 0.06 -0.10 -0.02 0.06 0.11 0.10 0.08 0.04 -0.28 -0.08 -0.05 0.06 -0.03 -0.03 -0.03 0.00 0.04 0.03 -0.10 -0.00 0.41 -0.38 -0.02 0.01 0.01 -0.01 -0.01 -0.00 -0.00 0.00 -0.01 0.01 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.14 -0.01 0.13 0.01 0.05 -0.52 0.00 0.00 0.04 -0.10 -0.03 0.10 -0.13 -0.04 0.12 -0.13 -0.00 -0.10 -0.07 0.04 -0.04 0.08 0.06 0.07 0.19 -0.17 -0.11 -0.03 -0.01 -0.01 0.02 -0.00 -0.02 -0.01 0.01 0.01 -0.02 0.00 0.02 -0.02 0.01 0.01 -0.01 -0.02 -0.00 0.00 0.03 0.00 0.00 -0.03 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 0.01 0.00 -0.00 -0.00 0.00 0.01 -0.00 0.01 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.01 -0.01 -0.01 0.01 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.01 -0.01 -0.00 0.00 0.01 0.01 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.01 -0.00 0.00 -0.01 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.01 0.08 0.02 0.01 -0.08 -0.02 -0.02 0.06 0.01 0.00 -0.06 -0.02 0.01 0.00 0.01 0.00 -0.01 -0.00 -0.00 -0.01 0.01 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.01 -0.00 0.01 0.00 -0.00 0.00 -0.01 -0.00 -0.01 0.00 -0.02 0.02 0.01 0.01 0.00 0.02 -0.00 -0.01 -0.01 0.01 0.01 -0.02 0.01 0.00 -0.01 0.00 0.00 0.01 -0.53 -0.09 -0.02 0.54 0.08 0.01 -0.44 -0.09 -0.04 0.42 0.05 0.01 -0.03 0.00 0.01 0.00 0.01 0.03 -0.00 -0.01 0.03 0.11 0.03 -0.03 -0.06 0.01 0.15 0.02 0.11 0.00 0.01 0.01 -0.02 0.04 0.03 0.01 0.04 -0.07 -0.07 -0.13 0.05 0.04 0.02 -0.02 -0.02 0.01 0.00 0.01 0.07 -0.02 0.05 -0.02 -0.06 -0.16 -0.01 0.03 0.08 0.05 0.01 -0.02 -0.02 0.02 -0.02 -0.02 0.00 -0.04 -0.04 0.05 -0.01 0.01 -0.04 0.01 -0.06 0.05 -0.04 0.01 -0.09 0.01 0.01 -0.02 0.03 -0.04 0.01 -0.10 -0.03 0.05 0.02 0.03 -0.09 -0.15 -0.03 0.05 0.01 0.04 -0.16 0.06 0.02 0.05 0.07 -0.07 -0.02 -0.05 -0.15 0.08 0.02 0.02 -0.03 0.01 0.01 -0.02 0.06 0.04 -0.05 0.09 -0.00 0.06 -0.00 -0.05 -0.02 -0.07 -0.05 -0.07 0.11 -0.40 0.29 0.06 0.05 0.01 0.30 -0.10 -0.18 -0.01 0.06 0.04 -0.18 0.01 0.00 -0.09 0.04 0.01 -0.09 0.18 0.10 0.03 -0.03 -0.09 -0.23 0.03 -0.10 -0.14 -0.15 -0.21 0.07 -0.13 0.02 -0.02 -0.00 -0.01 -0.03 0.00 0.01 -0.03 -0.11 -0.02 0.04 0.05 0.00 0.11 -0.02 0.10 -0.01 0.02 0.02 0.03 -0.06 -0.03 -0.01 -0.01 0.09 0.00 0.16 -0.10 -0.04 -0.03 0.02 0.02 -0.01 0.00 -0.02 -0.10 0.03 -0.06 0.01 0.05 0.20 0.02 -0.04 0.05 0.09 -0.08 0.01 0.02 0.01 -0.02 -0.03 0.03 -0.01 -0.01 0.05 0.01 -0.02 0.02 0.01 -0.04 0.03 -0.04 0.02 -0.08 -0.02 0.00 -0.04 0.03 -0.02 0.02 -0.07 -0.01 0.04 0.01 0.01 -0.07 -0.12 -0.01 0.04 0.00 0.02 -0.13 0.05 0.01 0.03 -0.07 0.06 0.11 -0.07 0.25 -0.06 0.01 0.01 -0.01 -0.07 -0.02 0.06 -0.06 -0.01 0.05 -0.10 -0.00 -0.05 0.02 0.04 0.04 0.06 0.04 0.07 -0.14 0.49 -0.38 0.15 0.15 -0.04 0.22 -0.07 -0.10 0.04 0.01 0.06 -0.09 0.09 -0.04 -0.08 0.02 -0.04 -0.06 0.03 0.05 0.02 0.02 -0.07 -0.18 -0.01 -0.08 -0.12 -0.02 -0.15 0.04 -0.04 0.03 0.01 0.01 0.00 0.02 -0.01 -0.00 0.01 0.03 0.00 -0.01 -0.01 0.00 -0.01 0.00 -0.01 0.00 -0.00 0.00 -0.03 0.03 -0.02 0.01 -0.00 -0.10 -0.02 -0.05 0.03 0.00 0.01 -0.01 0.04 0.02 0.03 0.04 -0.11 0.14 -0.01 -0.01 -0.02 -0.13 0.03 -0.03 0.02 -0.02 0.02 0.00 -0.01 -0.00 -0.00 0.00 -0.00 -0.02 0.00 0.01 -0.01 0.00 -0.00 0.01 -0.00 -0.01 0.00 -0.00 -0.00 0.01 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.01 0.00 -0.00 0.00 -0.00 0.01 -0.00 -0.00 -0.00 0.03 0.00 -0.16 -0.06 0.01 0.14 -0.00 -0.01 0.02 0.04 0.01 -0.02 -0.01 -0.01 0.02 0.05 0.00 0.05 0.07 0.01 0.06 0.01 -0.00 0.01 -0.02 0.68 -0.61 0.01 -0.02 0.01 0.11 -0.02 -0.08 0.02 -0.01 -0.03 -0.01 -0.01 0.01 -0.02 0.00 0.03 0.00 -0.00 -0.00 0.00 -0.01 0.00 0.01 0.00 0.01 0.01 0.00 0.01 -0.00 0.01 -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 -0.04 0.02 -0.02 -0.02 0.02 0.03 0.00 -0.00 0.01 -0.00 0.01 0.02 0.01 0.00 -0.01 0.00 -0.00 0.00 -0.01 -0.00 -0.01 -0.01 0.01 -0.02 0.00 -0.00 0.00 0.02 -0.00 0.00 0.02 -0.03 -0.08 0.04 -0.04 -0.04 0.01 0.01 0.04 -0.14 0.01 0.09 -0.03 0.01 0.02 0.06 -0.01 -0.05 0.04 -0.00 0.02 0.02 0.01 0.01 -0.02 0.01 -0.01 0.02 0.01 -0.01 -0.00 -0.00 0.02 0.03 0.01 -0.01 -0.00 -0.01 0.04 -0.01 -0.00 -0.01 -0.01 0.01 0.02 0.01 0.00 -0.01 -0.01 0.00 -0.01 -0.01 -0.00 0.00 0.01 0.01 -0.01 -0.01 0.00 -0.01 -0.02 -0.00 -0.02 -0.00 0.00 -0.00 -0.00 -0.08 0.07 0.02 -0.04 -0.09 0.74 -0.15 -0.51 0.15 -0.04 -0.11 -0.04 -0.01 0.08 -0.12 0.04 0.09 0.02 -0.03 -0.02 -0.00 -0.01 0.02 0.05 -0.01 0.02 0.03 0.02 0.05 -0.01 0.02 -0.00 -0.00 -0.00 -0.00 -0.01 0.00 0.00 0.00 0.07 -0.01 0.00 -0.04 -0.01 -0.02 -0.01 0.01 0.03 -0.02 -0.04 0.01 -0.02 0.02 -0.00 0.05 0.02 -0.02 -0.01 -0.04 0.02 -0.00 0.00 -0.03 -0.00 -0.01 -0.02 -0.03 0.00 -0.00 -0.03 0.02 0.06 0.00 -0.01 0.02 -0.02 0.13 0.00 0.02 0.01 -0.00 0.01 -0.05 -0.05 0.03 0.02 0.08 -0.02 -0.07 0.06 -0.00 -0.04 -0.02 -0.01 -0.02 -0.09 0.02 0.07 -0.00 -0.00 -0.00 0.00 0.02 0.00 0.00 0.02 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.02 -0.00 -0.01 0.03 0.09 -0.07 0.05 0.02 0.02 0.03 -0.04 -0.06 -0.01 0.03 0.04 0.04 -0.04 0.01 -0.00 0.00 -0.03 -0.02 -0.04 -0.02 -0.01 -0.03 -0.03 0.06 -0.05 -0.05 -0.02 0.13 0.22 -0.01 -0.15 -0.50 0.12 0.32 -0.01 -0.02 -0.03 0.53 -0.12 -0.32 0.01 -0.09 -0.02 0.00 -0.10 -0.01 0.00 0.02 0.00 -0.00 0.03 0.01 -0.01 0.10 0.02 -0.01 -0.00 -0.00 -0.02 0.00 0.00 -0.00 0.16 -0.02 -0.00 -0.09 -0.01 -0.00 0.02 -0.02 0.02 -0.02 -0.02 0.03 -0.04 0.06 -0.00 0.13 0.05 -0.05 -0.03 -0.09 0.05 -0.01 -0.00 -0.06 -0.01 -0.03 -0.04 -0.06 0.00 -0.00 -0.06 0.03 0.13 0.01 -0.02 0.09 -0.05 0.14 0.01 -0.02 0.00 -0.01 0.02 -0.04 0.01 -0.02 -0.03 -0.09 0.04 0.01 -0.04 0.00 0.04 -0.01 -0.02 -0.01 0.09 -0.01 -0.03 -0.00 0.00 -0.00 0.01 -0.01 -0.01 -0.00 -0.02 0.00 0.01 0.00 -0.00 0.00 0.00 0.01 -0.00 0.01 0.00 -0.03 0.08 0.23 -0.15 0.10 0.05 0.05 0.07 -0.09 -0.15 -0.02 0.06 0.09 0.09 -0.10 0.02 -0.01 0.00 -0.09 -0.06 -0.09 -0.05 -0.03 -0.07 -0.07 0.13 -0.13 -0.03 -0.07 0.12 -0.13 0.01 0.06 0.39 -0.08 -0.32 -0.03 -0.10 0.00 -0.38 0.07 0.34 0.01 0.08 0.01 -0.01 0.09 0.02 0.01 -0.02 -0.00 0.01 -0.02 0.01 0.01 -0.09 -0.02 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.01 -0.00 0.01 -0.00 0.00 -0.00 -0.02 -0.01 -0.02 -0.01 0.01 0.01 0.00 -0.00 0.01 -0.00 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 0.00 0.00 0.00 0.00 -0.00 0.02 0.03 -0.04 -0.02 -0.01 0.01 -0.00 -0.01 0.01 0.00 -0.02 0.01 0.02 -0.00 -0.03 0.02 -0.02 -0.01 0.00 -0.00 0.01 -0.01 0.02 0.03 -0.01 0.09 0.01 0.01 -0.10 -0.03 0.00 -0.11 -0.01 0.01 0.01 -0.00 0.00 0.01 0.02 -0.01 0.08 0.01 0.00 -0.01 0.03 -0.01 -0.00 0.01 0.01 0.01 -0.01 -0.02 -0.00 0.01 0.01 0.01 -0.01 0.01 -0.00 0.01 -0.01 -0.01 -0.01 -0.01 -0.01 -0.01 -0.00 0.02 -0.02 0.04 0.03 -0.03 -0.00 -0.03 0.01 -0.13 0.03 0.07 -0.00 -0.05 0.01 0.13 -0.00 -0.08 0.00 0.55 0.09 -0.02 0.56 0.10 0.02 -0.04 0.00 0.02 -0.09 0.00 0.03 -0.49 -0.08 0.00 0.00 0.00 0.01 -0.00 -0.00 -0.06 0.05 -0.03 0.02 -0.03 0.01 0.00 -0.04 0.02 0.05 -0.04 -0.07 -0.01 0.01 -0.14 0.01 -0.17 0.05 -0.01 0.15 0.03 -0.11 -0.02 0.01 0.13 0.02 0.03 0.01 0.06 -0.03 -0.03 -0.04 -0.04 -0.05 -0.01 0.01 0.01 -0.03 0.23 0.07 0.03 -0.02 0.00 0.03 -0.08 -0.03 0.05 0.02 -0.03 0.01 0.02 0.01 0.01 -0.00 -0.04 -0.01 -0.04 0.01 -0.01 -0.02 0.00 0.03 0.01 -0.00 -0.03 -0.00 0.01 -0.03 -0.01 -0.01 -0.00 0.00 -0.00 0.01 -0.01 -0.00 0.02 0.00 -0.02 0.00 -0.22 -0.08 0.22 -0.01 0.01 -0.05 0.10 0.16 0.04 -0.03 -0.23 -0.15 0.23 -0.15 -0.03 -0.03 0.24 0.11 0.27 0.02 0.04 0.14 0.02 -0.13 0.16 -0.10 0.02 0.27 0.19 0.01 -0.13 0.15 -0.04 -0.12 0.00 -0.01 -0.07 -0.09 -0.02 0.13 -0.01 0.16 0.03 -0.00 0.17 0.02 -0.01 0.00 0.00 -0.01 -0.02 -0.02 0.00 -0.14 -0.02 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.02 0.12 0.02 0.01 -0.08 0.01 -0.02 0.10 -0.05 -0.03 0.04 0.06 -0.00 -0.01 -0.11 0.01 -0.07 0.05 -0.08 0.08 -0.04 -0.07 -0.04 -0.00 0.09 0.04 0.02 -0.02 0.02 -0.01 0.01 -0.06 -0.01 0.01 -0.00 0.01 0.16 0.03 -0.14 -0.10 -0.07 0.05 -0.03 -0.04 0.06 0.02 -0.13 -0.02 0.00 0.03 -0.08 -0.02 -0.04 0.01 0.03 -0.01 0.02 0.02 0.05 0.07 -0.02 -0.04 -0.03 0.01 0.03 -0.01 -0.02 0.02 0.02 0.03 0.01 -0.01 0.00 -0.01 0.04 0.01 -0.02 -0.00 -0.01 -0.02 0.01 -0.22 0.28 0.20 0.12 0.04 -0.01 0.02 0.04 0.06 -0.22 -0.06 0.19 -0.04 -0.05 0.05 0.24 0.03 0.23 -0.09 -0.03 0.02 -0.03 -0.04 0.07 0.19 -0.03 -0.20 -0.22 -0.17 0.14 -0.18 0.09 0.06 -0.08 -0.21 0.11 0.16 0.03 -0.06 0.02 -0.13 -0.04 -0.01 -0.15 0.01 0.04 -0.03 -0.00 0.03 -0.01 0.05 0.01 0.12 0.01 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.01 -0.01 -0.01 -0.00 0.01 -0.01 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.09 -0.03 0.01 0.00 -0.01 0.03 0.01 -0.03 -0.06 0.02 0.02 -0.11 0.00 0.00 0.11 -0.02 0.01 -0.01 -0.00 0.01 0.04 0.01 0.00 0.01 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.01 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.02 0.09 -0.11 -0.03 0.09 0.31 0.33 0.07 -0.02 0.35 0.16 -0.05 -0.21 -0.11 0.25 0.40 0.15 0.11 -0.23 -0.09 -0.31 0.30 0.05 0.00 -0.02 -0.03 0.03 -0.01 -0.00 0.01 0.01 0.00 -0.01 0.00 -0.00 0.00 0.00 0.01 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.01 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.01 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.08 -0.01 -0.00 0.08 0.02 -0.01 0.09 0.02 0.00 -0.10 -0.02 -0.00 0.01 0.00 0.00 -0.00 0.01 -0.00 0.01 0.04 0.01 0.01 -0.01 -0.01 -0.00 0.01 -0.00 0.01 0.00 0.01 -0.01 0.01 0.02 -0.01 0.01 -0.02 -0.01 -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 0.01 -0.00 -0.01 -0.01 0.00 0.00 -0.01 0.43 0.08 0.02 -0.42 -0.06 0.03 -0.50 -0.09 -0.03 0.57 0.09 0.00 -0.07 -0.01 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.05 -0.02 0.01 -0.01 0.01 -0.01 0.00 -0.02 0.01 0.00 -0.00 -0.01 -0.00 0.01 -0.03 0.02 -0.02 0.00 0.00 -0.05 -0.08 0.01 -0.04 0.02 0.02 0.08 -0.02 -0.04 0.01 -0.00 0.03 0.01 0.05 0.00 0.01 0.02 -0.09 -0.00 -0.01 0.01 0.01 -0.01 0.01 0.01 -0.00 -0.00 0.03 0.01 0.01 -0.01 0.01 0.00 0.01 -0.00 -0.01 0.01 0.02 -0.00 -0.01 -0.02 0.00 0.00 0.01 -0.00 0.00 0.00 0.01 -0.01 -0.00 -0.00 -0.01 0.00 -0.00 0.01 -0.01 -0.00 0.00 -0.00 -0.02 0.02 0.02 -0.07 0.17 0.62 0.05 0.09 -0.11 -0.23 -0.04 0.12 0.00 0.11 -0.04 0.10 -0.11 0.19 0.27 -0.09 0.21 -0.33 -0.16 -0.20 -0.08 -0.00 0.08 -0.10 -0.00 -0.01 0.04 0.06 -0.03 -0.03 -0.01 0.03 0.12 0.05 -0.08 -0.09 0.01 0.02 -0.00 -0.02 0.00 0.00 0.04 0.00 -0.01 0.04 0.01 -0.00 -0.04 -0.01 -0.01 -0.01 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.01 0.00 0.00 0.00 -0.00 0.00 0.00 0.01 -0.01 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.01 -0.00 -0.01 0.01 0.01 -0.01 -0.00 -0.01 -0.00 -0.01 0.00 0.01 -0.00 0.00 -0.00 -0.00 -0.01 0.00 -0.00 -0.00 0.00 0.01 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.02 -0.01 0.00 0.06 -0.02 -0.04 -0.00 -0.01 0.00 -0.10 0.02 0.07 0.07 0.00 -0.03 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.01 -0.03 0.04 0.01 -0.03 -0.12 0.02 0.00 0.00 0.03 0.01 -0.00 -0.03 -0.02 0.03 -0.00 0.02 -0.02 -0.04 0.01 -0.03 0.05 0.02 0.03 0.01 0.00 -0.01 0.01 0.02 0.00 0.05 -0.04 -0.05 -0.34 0.08 0.23 0.61 -0.16 -0.41 -0.35 0.09 0.25 0.00 -0.01 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.01 0.00 0.00 0.01 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.11 0.00 -0.03 -0.00 0.03 -0.01 0.00 -0.01 0.00 -0.01 0.01 0.02 -0.02 -0.00 0.05 -0.00 -0.06 0.03 0.05 -0.05 -0.06 0.05 0.08 0.04 -0.00 -0.02 -0.02 0.01 0.02 -0.02 -0.02 0.02 0.02 -0.01 -0.00 0.00 0.13 -0.05 -0.01 -0.01 0.01 0.01 -0.01 -0.00 0.01 -0.01 0.01 -0.03 0.02 -0.02 0.00 0.00 0.01 0.00 -0.02 0.00 -0.00 0.01 0.01 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.01 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.01 -0.00 -0.00 0.01 -0.00 -0.08 0.30 -0.44 -0.04 0.14 0.40 -0.34 -0.17 0.13 0.05 -0.08 -0.19 0.32 -0.01 -0.27 -0.13 -0.02 -0.07 -0.00 0.05 0.04 0.01 0.03 0.06 0.00 -0.02 0.03 0.12 -0.08 -0.04 -0.05 0.03 0.00 -0.07 0.01 0.07 0.07 -0.00 -0.06 -0.01 0.00 0.05 -0.00 -0.00 0.01 0.01 -0.01 -0.01 -0.00 0.02 0.01 -0.00 0.04 0.00 -0.00 -0.04 -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 -0.01 0.01 -0.01 -0.01 -0.00 -0.00 0.01 -0.00 -0.01 -0.00 0.01 -0.01 -0.01 0.01 0.01 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.01 0.01 -0.00 0.00 0.00 -0.01 0.03 0.02 0.01 -0.00 -0.00 -0.00 -0.00 -0.01 0.00 -0.03 0.02 -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 0.01 -0.02 -0.06 -0.05 -0.03 0.02 -0.01 0.09 0.01 -0.00 0.07 0.02 0.05 -0.10 0.02 -0.01 0.02 -0.04 0.01 0.01 0.06 -0.04 -0.02 0.01 -0.01 -0.01 -0.02 0.04 0.01 -0.04 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.01 -0.00 -0.01 -0.00 -0.00 0.01 0.01 0.07 0.06 0.02 -0.07 0.01 0.01 0.02 -0.02 -0.02 -0.06 0.01 0.01 -0.00 0.00 0.00 0.24 -0.02 -0.07 0.16 0.04 0.03 -0.52 -0.11 0.02 -0.45 -0.07 0.02 0.58 0.13 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.06 0.01 0.00 -0.03 0.00 0.00 -0.05 0.02 -0.02 0.01 0.03 0.01 0.00 -0.02 0.01 0.01 0.00 -0.01 0.01 0.02 -0.02 -0.02 -0.01 0.00 0.00 -0.00 -0.01 -0.00 0.00 0.01 -0.01 -0.01 0.00 0.00 0.00 0.03 -0.10 -0.06 -0.01 0.03 0.01 0.00 0.00 0.03 -0.06 0.07 -0.14 0.04 -0.13 0.09 0.00 0.04 -0.01 0.01 0.02 -0.01 0.03 0.09 0.02 0.00 0.00 0.00 -0.02 -0.06 0.20 0.19 0.00 -0.08 -0.00 0.06 0.02 -0.00 0.05 -0.00 -0.17 -0.05 -0.14 0.01 -0.04 0.08 -0.00 -0.02 -0.12 0.08 0.04 -0.02 0.01 0.02 0.04 -0.09 -0.01 0.08 0.00 0.00 0.00 0.01 0.00 0.01 -0.00 -0.00 -0.00 -0.01 0.00 -0.00 -0.02 -0.20 -0.15 -0.11 0.16 -0.11 0.00 -0.14 0.11 0.01 0.17 -0.01 0.06 0.08 0.03 -0.02 0.16 0.25 0.20 0.15 -0.05 0.02 -0.36 -0.02 0.04 -0.27 -0.06 -0.21 0.36 -0.07 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.01 -0.03 -0.00 -0.00 0.01 -0.00 0.01 0.01 0.00 0.01 -0.01 -0.02 0.01 0.00 -0.00 0.00 0.01 -0.01 0.01 -0.00 0.01 -0.00 -0.02 -0.00 -0.01 0.02 -0.00 -0.00 -0.00 0.00 0.01 0.01 0.00 -0.00 0.00 0.00 -0.01 0.04 0.03 0.03 0.03 0.01 0.00 -0.00 -0.01 -0.19 -0.04 -0.27 0.04 -0.26 0.17 -0.01 -0.03 0.02 -0.01 -0.00 -0.05 0.13 0.29 0.12 0.02 -0.01 0.01 0.02 0.04 -0.16 -0.16 -0.01 0.06 -0.02 -0.02 -0.00 0.00 -0.02 -0.02 0.14 0.01 0.11 0.01 -0.05 0.07 0.04 -0.04 -0.01 0.06 0.04 -0.03 -0.04 0.01 0.04 -0.03 0.02 0.02 0.04 -0.01 0.04 0.02 -0.03 0.00 -0.05 -0.03 -0.05 -0.01 0.00 0.00 -0.04 0.05 0.04 -0.19 -0.10 -0.28 0.12 -0.29 0.14 -0.11 -0.01 0.03 0.20 0.27 0.13 0.00 -0.04 -0.18 -0.16 -0.08 0.05 -0.03 0.13 -0.00 -0.03 0.11 0.01 0.16 -0.14 0.08 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.11 -0.02 -0.00 0.05 -0.00 -0.01 0.10 -0.04 0.04 -0.03 -0.06 -0.01 -0.00 0.02 -0.01 -0.01 -0.01 0.01 -0.02 -0.02 0.02 0.02 0.01 -0.01 0.01 -0.00 0.01 0.00 -0.00 -0.00 0.03 0.02 -0.01 -0.00 0.00 -0.05 0.20 0.11 0.03 -0.04 0.00 -0.00 -0.01 -0.05 -0.05 -0.18 0.01 -0.04 0.02 -0.04 -0.01 -0.07 0.01 -0.01 -0.04 -0.01 0.07 0.09 0.07 -0.03 -0.01 -0.03 -0.02 -0.01 0.15 0.13 0.02 -0.05 0.04 -0.01 -0.01 0.00 -0.01 0.05 -0.11 0.01 -0.09 -0.00 0.01 -0.06 0.04 -0.01 0.16 -0.08 -0.03 0.01 -0.03 -0.03 -0.03 0.11 0.02 -0.10 0.03 -0.01 0.02 -0.01 -0.02 -0.01 -0.03 -0.02 -0.03 0.01 0.00 0.01 0.01 0.39 0.28 0.00 -0.45 -0.01 0.07 0.02 -0.07 -0.09 -0.37 0.06 0.08 0.09 0.08 -0.00 -0.12 0.14 0.13 -0.04 -0.07 0.03 0.06 0.00 0.02 0.03 0.06 -0.10 -0.02 -0.12 0.00 0.00 0.00 -0.00 0.00 0.00 0.20 0.04 0.06 0.01 -0.03 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.01 -0.02 -0.02 0.01 -0.02 0.01 0.05 -0.12 -0.00 -0.07 0.00 0.10 0.01 0.04 -0.08 0.00 0.03 -0.00 -0.01 -0.01 -0.05 -0.01 0.01 -0.02 -0.02 -0.16 0.03 -0.03 -0.00 -0.00 -0.01 0.01 0.00 -0.00 -0.01 0.01 -0.01 -0.00 -0.03 0.02 -0.00 -0.00 -0.00 0.01 0.01 0.01 0.00 0.02 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.01 0.00 0.01 0.00 0.00 -0.01 -0.00 -0.00 -0.00 0.01 0.03 -0.08 -0.27 0.21 0.18 -0.29 -0.21 0.21 0.24 -0.02 -0.26 0.17 -0.13 -0.11 -0.30 0.02 -0.22 -0.05 0.16 0.04 0.24 0.16 0.29 0.05 -0.02 -0.04 -0.13 0.03 -0.03 0.02 0.03 -0.03 0.01 -0.06 -0.02 0.00 0.05 0.02 -0.02 0.04 -0.05 0.01 0.01 0.00 0.01 0.00 0.01 -0.00 -0.01 0.01 0.01 -0.00 -0.01 -0.01 0.01 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.01 0.01 0.00 0.00 -0.00 0.00 0.02 -0.01 0.02 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 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 0.01 -0.01 0.00 -0.01 0.01 0.00 -0.00 0.00 -0.00 0.01 -0.01 -0.00 -0.01 -0.00 -0.01 0.00 -0.01 -0.08 -0.02 0.06 0.01 0.02 -0.10 0.11 0.03 -0.12 -0.08 -0.03 0.15 0.10 -0.00 0.06 0.00 -0.00 0.00 -0.01 0.00 -0.00 -0.00 -0.00 0.00 0.01 0.00 -0.00 -0.00 -0.00 0.00 -0.01 0.00 -0.01 0.00 0.00 0.00 0.01 0.00 0.01 0.00 0.00 -0.00 -0.01 -0.02 -0.01 -0.00 0.04 -0.01 0.01 -0.00 0.02 0.00 0.04 -0.01 -0.01 -0.00 -0.00 -0.42 0.00 0.03 -0.16 0.07 -0.50 -0.03 0.08 -0.47 -0.43 -0.04 0.12 0.13 -0.00 0.05 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.06 -0.02 -0.02 -0.01 0.02 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.02 0.02 -0.02 0.02 0.09 -0.03 0.04 -0.08 0.01 -0.07 0.04 -0.03 0.04 -0.04 -0.04 -0.04 -0.01 0.00 0.03 0.03 0.01 0.02 0.01 0.01 0.03 -0.01 0.01 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.01 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.01 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.08 -0.29 0.55 0.07 -0.04 0.42 -0.02 -0.10 0.16 0.27 0.08 -0.11 -0.15 -0.16 0.18 -0.27 -0.04 -0.16 0.07 0.13 0.14 0.03 0.07 0.15 -0.04 -0.01 0.02 -0.00 -0.00 0.01 0.00 -0.02 0.00 0.01 0.02 0.01 -0.00 -0.01 -0.01 0.01 -0.02 0.03 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.01 -0.00 0.01 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.01 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 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 0.00 0.00 0.00 0.01 -0.00 0.00 -0.00 0.03 0.01 -0.03 0.06 -0.01 0.09 -0.11 -0.00 -0.02 -0.08 -0.01 0.02 0.03 -0.01 0.07 0.04 0.01 -0.07 -0.00 0.02 -0.02 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 -0.00 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 0.02 0.00 -0.02 -0.03 -0.02 0.01 0.02 0.00 -0.02 0.02 -0.04 0.46 -0.02 0.14 -0.29 0.06 -0.44 -0.16 0.02 -0.12 0.31 0.01 0.11 0.31 0.08 -0.43 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 -0.01 -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 -0.03 -0.00 -0.03 0.03 0.01 0.03 0.00 -0.01 0.01 -0.05 -0.01 -0.07 0.05 0.11 0.03 0.01 0.01 0.01 -0.07 -0.01 -0.10 0.02 -0.09 0.06 -0.01 0.00 -0.01 0.01 -0.00 0.00 -0.01 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.01 0.00 0.00 -0.01 0.00 -0.01 -0.01 -0.01 0.01 0.00 -0.01 0.00 -0.00 -0.01 -0.01 0.00 0.01 0.01 -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 -0.05 -0.06 -0.09 -0.05 -0.05 -0.07 0.31 0.36 0.33 -0.07 0.01 -0.11 0.31 -0.39 0.56 0.06 0.00 0.01 -0.02 0.01 -0.01 0.00 -0.00 0.01 0.04 0.00 0.01 0.02 0.01 -0.03 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.02 -0.01 0.00 -0.01 0.03 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.02 0.02 0.02 0.08 0.07 0.10 -0.01 -0.13 0.03 -0.03 -0.02 -0.05 0.05 0.01 -0.06 -0.07 -0.01 -0.01 -0.03 0.00 -0.00 0.04 0.01 0.00 -0.01 0.01 -0.00 0.00 0.01 0.00 -0.00 -0.00 -0.00 -0.00 -0.01 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.03 0.52 -0.45 0.05 -0.26 -0.25 0.21 0.06 -0.03 0.13 0.09 0.03 -0.18 -0.05 0.17 -0.24 -0.10 -0.06 0.19 0.09 0.22 -0.16 -0.01 0.05 -0.03 -0.01 -0.08 0.03 0.02 0.01 -0.00 -0.04 0.00 0.01 0.01 0.00 -0.01 -0.02 -0.00 0.01 -0.01 0.02 -0.01 -0.00 -0.00 0.01 -0.00 0.02 0.00 0.00 -0.00 -0.01 0.00 -0.00 -0.01 -0.00 0.02 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.02 0.01 0.00 0.01 0.01 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.03 0.18 -0.01 0.09 -0.05 -0.04 0.05 -0.03 -0.01 0.04 -0.10 0.03 0.00 -0.12 0.01 -0.08 0.00 -0.00 -0.08 -0.02 -0.01 -0.00 0.02 0.02 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 0.08 -0.05 -0.02 -0.08 0.16 0.16 0.12 0.18 -0.24 -0.36 -0.04 0.27 -0.03 0.24 -0.04 -0.18 0.12 -0.27 -0.22 0.19 -0.10 0.33 0.17 0.28 -0.14 0.03 0.09 0.07 0.01 0.01 -0.00 -0.01 0.00 -0.01 -0.01 -0.01 -0.00 -0.02 0.00 -0.00 0.01 -0.01 -0.00 -0.00 -0.00 0.00 -0.00 0.01 -0.00 0.00 -0.01 -0.00 -0.00 -0.00 -0.01 -0.00 0.01 -0.00 -0.00 -0.00 0.01 -0.01 -0.01 0.04 0.02 0.01 0.00 0.03 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.14 -0.07 -0.04 0.22 -0.04 -0.07 0.03 -0.01 0.04 -0.07 0.08 0.05 -0.08 0.04 0.02 -0.21 -0.02 0.01 -0.10 -0.04 -0.04 0.01 0.06 0.06 -0.01 -0.00 -0.00 0.01 0.02 0.01 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.01 -0.00 -0.00 -0.00 0.00 0.01 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.25 -0.06 -0.10 -0.15 0.15 -0.16 -0.27 -0.21 0.27 0.17 -0.03 -0.20 0.05 -0.20 0.01 0.27 0.05 0.13 -0.12 -0.18 -0.19 -0.03 -0.09 -0.24 -0.32 0.06 0.12 0.07 -0.01 -0.01 -0.01 -0.07 0.01 -0.02 -0.02 -0.03 -0.01 -0.04 0.00 0.00 0.01 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.01 0.00 -0.02 -0.01 -0.00 -0.00 -0.01 -0.00 0.01 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.04 0.02 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -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 -0.02 -0.04 -0.02 0.05 0.07 0.04 0.00 -0.00 0.01 0.00 -0.01 0.01 -0.01 0.03 -0.02 -0.03 0.07 -0.06 0.00 -0.03 0.01 0.01 0.03 -0.00 0.03 -0.00 0.03 -0.01 0.00 -0.01 0.00 0.00 -0.01 -0.02 -0.00 -0.01 0.04 0.01 -0.02 -0.02 -0.01 0.04 -0.02 -0.00 0.01 0.01 0.00 0.01 0.01 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 0.01 -0.00 -0.00 -0.10 -0.16 -0.13 -0.03 -0.41 0.06 -0.12 -0.06 -0.14 -0.03 -0.30 0.05 0.04 0.00 0.07 -0.10 0.00 -0.01 -0.13 0.04 -0.32 -0.09 0.03 -0.16 0.44 0.02 0.03 -0.28 -0.08 0.38 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.04 -0.02 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.01 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.01 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.01 0.03 0.02 -0.05 -0.06 -0.04 -0.00 0.00 -0.01 -0.00 0.01 -0.01 0.01 -0.03 0.02 0.03 -0.07 0.06 -0.00 0.02 -0.01 -0.01 -0.03 -0.00 -0.03 -0.00 -0.02 -0.01 0.00 -0.01 -0.00 0.00 -0.02 0.01 0.00 -0.02 0.05 0.00 0.01 -0.04 -0.01 0.04 0.01 -0.00 -0.01 -0.01 -0.00 -0.01 -0.01 -0.00 0.00 0.01 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.01 0.00 0.00 0.09 0.15 0.12 0.03 0.38 -0.05 0.12 0.07 0.15 0.03 0.25 -0.04 -0.05 0.01 -0.08 0.06 0.00 -0.00 -0.08 0.02 -0.19 -0.07 0.03 -0.19 0.51 0.02 0.07 -0.33 -0.09 0.43 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -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 -0.00 -0.00 -0.00 0.00 -0.04 0.02 -0.03 -0.02 -0.04 -0.01 0.00 -0.01 0.02 0.07 0.00 0.02 -0.01 0.03 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -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 -0.17 0.03 -0.29 -0.27 -0.34 0.09 0.65 -0.08 0.22 -0.22 0.39 -0.01 -0.00 -0.00 -0.00 -0.00 -0.01 -0.00 0.00 -0.01 0.02 0.00 0.00 -0.01 -0.00 0.02 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.01 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 0.01 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 -0.01 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.01 -0.00 0.01 -0.05 -0.00 -0.01 -0.01 0.00 -0.03 0.02 -0.01 0.07 0.03 0.00 -0.01 0.01 0.00 -0.01 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 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 0.03 0.02 0.00 0.05 -0.01 0.02 0.02 0.03 0.01 0.03 -0.00 0.00 -0.01 0.00 -0.56 -0.00 -0.06 -0.14 0.05 -0.35 0.26 -0.10 0.59 0.24 0.01 0.01 0.13 0.04 -0.17 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.02 -0.00 -0.01 -0.01 -0.02 -0.00 -0.03 -0.07 0.01 0.00 -0.00 -0.00 -0.05 -0.01 -0.03 0.04 0.01 0.00 -0.05 0.01 -0.00 0.02 0.00 0.02 0.02 -0.01 0.01 -0.05 -0.01 0.00 0.09 0.03 0.03 0.01 0.01 0.01 0.02 0.02 -0.00 -0.11 -0.16 -0.09 0.00 0.02 -0.01 0.00 -0.01 0.00 0.00 -0.02 0.01 -0.05 0.18 -0.12 0.07 -0.00 0.10 -0.01 0.02 -0.02 0.12 -0.01 0.08 0.02 -0.00 0.01 0.02 -0.01 0.03 -0.05 -0.00 0.01 -0.02 0.01 -0.05 0.01 0.00 -0.00 0.16 -0.09 -0.08 -0.03 -0.03 -0.09 -0.03 0.02 -0.03 -0.02 -0.03 -0.02 0.07 0.03 -0.07 0.00 0.01 -0.01 0.00 0.02 0.01 0.04 0.02 0.04 -0.02 -0.03 -0.04 0.19 0.43 0.36 -0.01 -0.07 0.00 0.26 0.20 0.30 0.07 -0.04 0.11 0.14 -0.12 0.24 -0.10 0.00 0.00 -0.04 0.02 -0.13 -0.12 0.02 -0.15 -0.16 0.00 -0.07 -0.00 -0.00 0.01 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.06 -0.05 -0.01 -0.01 -0.04 -0.00 0.02 0.02 0.00 -0.00 0.00 -0.00 -0.14 -0.02 -0.06 0.11 0.03 0.01 -0.12 0.04 -0.01 0.05 0.01 0.04 0.05 -0.01 0.04 -0.12 -0.02 0.00 0.21 0.09 0.07 0.03 0.02 0.02 0.02 0.01 0.00 0.04 0.03 0.03 0.00 -0.01 0.00 -0.00 0.01 -0.00 -0.00 0.01 -0.01 0.01 -0.04 0.03 -0.02 0.01 -0.03 0.00 -0.01 0.01 -0.04 0.00 -0.03 -0.01 0.00 -0.00 -0.01 0.00 -0.01 0.02 0.00 -0.00 0.00 -0.00 0.02 -0.00 -0.00 -0.00 0.43 -0.27 -0.21 -0.01 -0.13 -0.21 -0.08 0.05 -0.07 -0.05 -0.08 -0.06 0.18 0.09 -0.18 0.00 0.02 -0.00 0.03 0.05 0.04 0.09 0.04 0.10 -0.04 -0.09 -0.11 -0.45 -0.21 -0.19 0.01 0.07 -0.01 -0.09 -0.07 -0.11 -0.02 -0.03 -0.03 -0.04 0.03 -0.06 0.03 -0.00 -0.00 0.01 -0.01 0.05 0.04 -0.01 0.05 0.06 -0.00 0.02 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.04 -0.05 0.00 -0.02 -0.00 -0.00 0.01 -0.00 0.01 0.00 -0.00 -0.00 0.19 0.08 0.03 -0.01 -0.04 -0.01 -0.09 -0.06 -0.01 -0.07 -0.03 -0.01 -0.06 -0.03 -0.00 0.04 0.00 0.01 0.19 0.07 0.02 -0.02 -0.01 -0.01 0.02 0.01 -0.00 0.00 -0.01 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.01 -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 0.00 0.00 0.00 0.00 -0.27 0.33 -0.06 -0.50 0.36 -0.12 0.05 -0.04 0.07 0.02 0.07 0.09 -0.17 -0.04 0.14 -0.03 0.08 -0.10 -0.18 -0.01 -0.17 0.00 -0.04 -0.07 -0.10 0.14 0.14 -0.31 -0.01 -0.02 0.00 0.03 -0.01 0.00 0.01 0.00 0.00 -0.01 0.01 -0.00 -0.00 0.00 0.01 0.00 0.00 0.00 -0.00 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 -0.02 0.00 0.00 0.01 0.00 -0.17 0.08 -0.16 0.00 0.00 -0.00 0.01 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.01 -0.00 -0.00 -0.00 -0.00 -0.00 0.01 0.04 0.02 0.04 0.02 0.05 -0.00 -0.02 0.01 -0.00 -0.00 -0.00 0.00 0.02 -0.00 0.02 -0.12 0.05 -0.02 -0.01 -0.03 -0.00 -0.01 0.01 0.27 -0.03 0.19 0.06 0.00 0.03 0.05 -0.01 0.07 -0.08 -0.01 0.02 -0.01 0.01 -0.09 0.00 0.00 -0.01 -0.01 0.01 0.00 0.01 -0.01 0.01 -0.00 -0.00 0.00 0.00 0.01 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 -0.18 -0.25 -0.24 0.05 0.36 -0.05 -0.11 -0.08 -0.14 -0.02 0.01 -0.04 0.00 -0.02 0.00 -0.26 -0.02 0.00 -0.08 0.03 -0.29 -0.24 0.04 -0.29 -0.34 0.00 -0.14 -0.03 -0.00 0.01 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.01 -0.03 0.00 0.01 0.02 0.00 0.03 -0.03 0.04 0.01 0.00 -0.01 0.01 -0.00 0.00 -0.01 0.00 0.00 0.02 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.01 0.00 -0.00 -0.05 -0.02 -0.01 -0.00 -0.00 -0.00 0.03 0.15 0.07 0.04 -0.16 0.08 -0.00 -0.03 0.01 0.00 0.08 -0.02 -0.05 -0.03 -0.06 -0.10 0.01 -0.13 0.04 0.09 0.02 0.02 -0.01 0.03 0.01 0.01 -0.07 -0.03 -0.00 0.00 -0.01 -0.00 0.02 0.01 -0.00 0.03 -0.04 -0.00 0.01 0.02 0.00 -0.02 -0.02 0.02 0.01 0.08 -0.05 0.05 -0.00 -0.01 0.00 0.00 0.01 0.00 -0.01 -0.01 0.02 0.00 -0.00 0.00 0.01 -0.00 0.01 -0.00 0.00 -0.01 -0.00 0.01 0.01 -0.12 -0.40 -0.44 0.06 0.54 -0.08 -0.00 -0.01 -0.03 -0.01 -0.32 0.09 0.08 -0.07 0.16 -0.05 0.00 0.00 0.02 -0.01 0.10 -0.02 0.01 -0.06 0.13 -0.00 0.03 -0.01 -0.00 0.02 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.02 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.06 -0.03 0.22 -0.01 -0.04 -0.06 0.07 0.02 -0.01 0.01 -0.00 -0.06 0.03 0.02 -0.07 -0.02 -0.00 -0.00 0.00 -0.01 -0.01 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.28 -0.39 -0.15 -0.37 0.48 -0.24 0.24 0.04 0.01 0.17 0.12 0.05 -0.03 0.01 -0.00 -0.16 -0.16 0.04 0.09 0.05 0.08 -0.25 -0.01 0.08 -0.00 -0.03 -0.01 -0.01 -0.01 -0.01 0.00 0.01 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -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 -0.08 -0.03 0.01 0.06 0.01 -0.00 -0.00 0.00 0.00 0.02 0.01 -0.00 0.01 -0.00 -0.02 0.05 0.01 -0.00 0.00 -0.00 0.01 -0.03 -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 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.11 0.12 0.20 -0.01 -0.01 -0.13 0.01 0.03 -0.03 0.03 -0.02 -0.05 0.06 0.01 -0.06 0.09 -0.00 0.02 0.08 0.06 0.12 0.00 0.04 0.06 -0.51 0.46 0.60 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 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 -0.00 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 -0.01 -0.00 -0.00 0.00 0.00 0.00 0.01 0.06 0.04 -0.01 -0.05 -0.00 -0.00 -0.02 0.01 -0.01 0.00 -0.01 -0.01 -0.00 -0.01 -0.00 0.04 -0.01 0.01 0.01 0.01 -0.00 -0.00 -0.01 -0.16 -0.05 0.20 0.10 0.01 -0.02 -0.00 0.02 -0.09 -0.05 0.02 -0.15 0.16 0.01 -0.01 -0.07 -0.02 0.08 0.00 -0.00 -0.01 0.02 -0.01 0.01 0.00 -0.00 0.00 0.00 0.00 0.00 -0.01 -0.00 0.01 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.01 -0.01 -0.01 -0.01 -0.22 -0.22 0.00 0.05 -0.03 0.01 0.01 0.00 0.01 -0.00 0.01 0.00 -0.01 0.00 0.37 0.02 0.01 -0.12 0.04 -0.37 0.20 -0.06 0.40 -0.48 -0.01 -0.10 -0.02 -0.00 0.01 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.02 0.01 -0.03 -0.01 -0.00 -0.00 -0.01 -0.01 -0.00 0.00 0.00 -0.01 0.00 0.00 -0.01 0.00 0.00 0.00 -0.02 -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 0.01 0.00 0.00 0.00 -0.07 0.05 0.08 -0.01 0.00 -0.05 0.01 -0.03 0.02 -0.00 -0.00 -0.00 -0.01 -0.01 -0.01 0.03 0.03 0.03 -0.00 -0.03 0.00 0.01 -0.01 0.01 0.01 0.01 -0.01 -0.02 -0.00 -0.00 0.01 -0.00 0.02 0.01 -0.00 0.02 -0.02 -0.00 -0.00 0.01 0.00 -0.01 0.00 0.01 -0.00 -0.06 0.04 -0.03 0.00 0.01 -0.00 0.01 -0.00 -0.00 0.01 0.01 -0.02 -0.00 0.01 -0.01 -0.01 0.00 -0.01 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.66 -0.44 -0.40 -0.03 -0.27 0.02 0.10 0.09 0.10 0.03 0.22 -0.03 -0.08 0.07 -0.14 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.02 0.00 -0.03 0.03 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 0.01 0.00 -0.01 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.01 -0.00 -0.00 -0.00 -0.00 -0.00 0.01 -0.00 -0.01 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.01 -0.00 -0.01 -0.00 -0.01 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.01 0.01 -0.02 0.00 -0.00 -0.14 0.00 -0.04 0.08 -0.02 0.13 0.04 -0.01 0.05 -0.06 0.00 -0.02 0.08 0.02 -0.11 -0.01 0.00 0.00 0.01 -0.01 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.01 -0.11 0.04 0.04 -0.01 -0.05 0.01 0.01 0.01 0.02 0.00 0.02 -0.01 -0.02 0.02 -0.03 0.58 0.01 0.03 -0.18 0.08 -0.48 0.13 -0.04 0.24 -0.28 -0.01 -0.05 -0.22 -0.06 0.29 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.02 0.01 -0.02 -0.01 -0.00 -0.00 0.02 0.01 0.01 0.00 -0.00 -0.00 -0.01 -0.00 -0.01 0.00 0.00 0.00 -0.01 -0.01 0.00 -0.00 -0.00 0.01 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.04 0.01 0.01 0.00 0.00 0.00 -0.06 -0.03 -0.00 0.01 0.02 0.01 0.01 -0.00 0.01 -0.00 -0.07 0.02 0.06 0.05 0.07 -0.01 -0.02 -0.01 -0.00 -0.02 0.00 -0.04 0.06 -0.08 -0.02 -0.00 -0.00 -0.02 -0.00 -0.00 0.00 -0.00 0.00 0.01 0.00 -0.00 0.00 -0.00 0.00 0.01 0.00 -0.01 -0.02 0.02 0.03 -0.09 0.07 -0.05 -0.01 0.01 -0.02 0.02 -0.00 -0.01 0.01 0.02 -0.01 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.02 -0.02 -0.02 0.52 0.04 0.04 0.06 0.49 -0.06 -0.23 -0.22 -0.26 -0.04 -0.32 0.04 0.17 -0.15 0.28 0.08 0.00 0.01 -0.01 0.00 -0.03 0.03 -0.01 0.05 -0.02 -0.00 0.00 -0.02 -0.01 0.03 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.03 0.01 -0.02 -0.01 0.00 -0.00 -0.01 0.03 -0.02 -0.00 -0.00 0.00 -0.03 -0.01 -0.03 0.00 0.00 0.00 0.00 -0.03 0.01 0.00 -0.00 0.01 0.01 0.00 0.01 -0.00 -0.00 -0.00 0.07 0.02 0.01 0.00 0.01 0.01 -0.09 -0.10 -0.05 0.09 0.02 0.13 0.01 0.01 0.00 0.04 0.16 0.00 -0.08 -0.08 -0.08 -0.09 -0.14 -0.09 0.01 0.15 -0.04 0.07 -0.07 0.12 -0.01 -0.01 0.03 0.02 0.00 0.00 -0.00 0.00 -0.00 -0.01 0.00 -0.02 0.03 0.00 -0.00 -0.01 -0.00 0.01 -0.07 0.05 0.10 -0.17 0.14 -0.12 -0.02 0.03 -0.04 0.02 -0.03 -0.04 0.03 0.02 -0.04 0.02 0.01 0.01 0.01 -0.00 0.00 0.02 0.00 0.01 0.04 -0.04 -0.05 0.63 0.32 0.32 0.01 -0.18 0.05 0.08 0.05 0.08 -0.04 -0.20 0.01 -0.05 0.03 -0.05 0.02 -0.00 0.00 -0.02 0.00 -0.06 0.01 -0.01 0.04 -0.09 -0.00 -0.02 -0.02 -0.00 0.01 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.01 -0.01 0.01 -0.01 0.04 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.10 -0.04 -0.09 0.01 0.01 -0.00 0.08 -0.09 0.05 0.02 0.01 0.03 0.01 0.01 0.01 -0.00 0.00 -0.01 -0.01 -0.01 -0.01 0.01 0.03 0.04 0.02 0.02 0.01 -0.01 -0.01 -0.01 -0.00 -0.00 -0.00 -0.00 -0.01 -0.00 0.00 0.01 0.00 0.01 0.02 0.01 0.00 -0.02 0.01 -0.00 0.00 -0.01 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.33 0.23 0.41 -0.39 0.37 -0.30 -0.08 0.09 -0.13 0.01 -0.11 -0.14 0.08 0.03 -0.06 0.09 -0.03 0.08 0.07 -0.02 0.07 0.06 0.05 0.06 0.18 -0.16 -0.19 -0.18 -0.04 -0.04 -0.00 -0.01 -0.00 0.01 0.01 0.01 0.01 0.05 -0.00 -0.01 0.01 -0.02 -0.01 -0.00 -0.00 0.00 -0.00 0.01 -0.00 0.00 -0.01 0.01 0.00 0.00 0.01 0.00 -0.01 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.01 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.05 0.02 0.01 -0.01 -0.01 -0.01 -0.02 0.01 -0.01 -0.08 -0.03 0.05 -0.08 -0.02 -0.07 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.01 0.01 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.01 -0.06 0.05 -0.06 0.07 0.27 0.27 -0.15 0.37 -0.03 -0.17 0.17 0.07 -0.30 0.34 -0.12 0.20 0.17 -0.03 0.29 0.26 0.28 0.25 0.04 -0.03 -0.05 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.01 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.01 0.00 -0.02 -0.02 0.02 0.01 0.02 -0.01 0.00 -0.07 -0.03 0.07 0.06 0.01 0.07 0.01 0.00 0.00 -0.01 -0.01 -0.00 -0.00 -0.01 -0.01 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.05 -0.05 -0.03 0.00 0.01 0.03 0.22 0.32 -0.22 0.35 -0.10 -0.25 0.18 0.05 -0.28 -0.30 0.17 -0.23 -0.16 0.01 -0.25 -0.19 -0.27 -0.30 -0.04 0.05 0.06 -0.03 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.01 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -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 0.03 0.01 -0.09 -0.11 0.09 0.10 0.07 -0.08 0.04 0.01 -0.00 0.01 -0.05 -0.00 0.01 0.01 0.01 0.02 -0.00 -0.01 -0.01 0.01 -0.06 -0.07 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.44 -0.38 -0.36 -0.22 0.23 -0.05 -0.12 -0.00 -0.06 -0.12 -0.07 -0.04 -0.07 -0.02 0.12 0.12 0.15 -0.08 0.17 -0.13 0.22 0.31 0.02 -0.19 -0.09 0.11 0.13 -0.01 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.01 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.01 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.01 -0.03 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.01 -0.00 0.00 -0.00 0.00 0.00 -0.01 0.02 -0.03 0.05 -0.17 0.14 -0.00 0.00 -0.00 -0.07 -0.01 -0.10 0.04 0.11 0.02 0.07 0.17 0.05 -0.06 -0.01 -0.08 0.04 -0.10 0.08 -0.03 -0.00 0.04 0.00 0.00 -0.03 0.04 -0.00 0.02 0.04 -0.00 0.03 -0.04 0.00 -0.04 -0.03 -0.01 0.04 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.01 -0.02 0.03 0.00 0.03 0.04 0.01 0.02 -0.02 -0.00 0.01 -0.01 0.01 -0.01 0.01 0.02 -0.00 -0.01 0.00 -0.00 -0.00 0.15 0.23 0.16 -0.08 0.06 -0.12 -0.32 -0.22 -0.38 -0.06 0.05 -0.10 -0.26 0.19 -0.42 0.02 0.01 -0.04 -0.00 0.02 -0.10 -0.05 0.03 -0.17 0.13 0.01 -0.02 0.14 0.04 -0.19 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.02 0.01 -0.02 -0.02 0.01 0.02 0.01 -0.01 0.01 0.00 0.03 0.02 0.02 -0.02 -0.02 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.01 -0.01 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.07 -0.06 -0.08 -0.01 0.01 0.02 0.11 0.15 -0.10 -0.24 -0.25 -0.26 0.03 -0.38 0.15 0.29 -0.04 0.11 -0.25 0.41 -0.09 -0.39 0.00 0.29 -0.00 0.01 0.00 0.01 0.00 0.00 -0.00 0.00 -0.00 -0.01 -0.01 -0.01 -0.00 -0.01 -0.00 -0.00 0.00 -0.01 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.01 0.01 0.00 -0.00 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 -0.02 -0.02 0.01 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.01 0.01 -0.04 0.04 -0.00 0.00 -0.00 -0.02 -0.01 -0.03 0.01 0.04 0.01 0.02 0.05 0.01 -0.02 -0.02 -0.02 0.02 -0.02 0.03 0.09 0.03 -0.10 0.04 -0.01 0.09 -0.11 -0.00 -0.03 -0.12 0.00 -0.06 0.10 -0.01 0.09 0.08 0.02 -0.11 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.06 0.01 -0.05 0.03 -0.01 -0.02 -0.04 0.05 0.03 -0.01 -0.04 0.03 -0.02 -0.01 -0.03 -0.02 0.01 0.03 -0.00 0.00 0.00 0.04 0.06 0.04 -0.02 0.04 -0.04 -0.08 -0.04 -0.10 -0.01 0.07 -0.04 -0.09 0.08 -0.14 -0.21 -0.02 0.08 -0.02 -0.04 0.23 0.06 -0.06 0.38 -0.37 -0.03 0.05 -0.38 -0.10 0.50 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.02 0.00 -0.02 0.00 -0.00 0.00 0.01 -0.01 0.00 -0.03 0.02 -0.02 -0.01 -0.02 0.01 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.01 0.00 -0.01 0.00 -0.00 0.01 -0.01 0.00 -0.00 -0.01 0.00 -0.00 0.01 -0.00 0.01 0.01 0.00 -0.01 -0.03 0.02 0.04 -0.02 0.02 -0.03 0.45 -0.13 0.38 -0.22 0.12 0.24 0.30 -0.32 -0.29 0.13 0.25 -0.18 0.05 0.16 0.22 0.04 -0.09 -0.17 0.03 -0.03 -0.04 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.01 0.00 0.00 -0.00 0.00 -0.01 -0.00 0.01 -0.00 -0.00 0.02 0.00 -0.00 0.03 -0.02 -0.00 0.00 -0.03 -0.01 0.03 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.01 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.01 -0.03 -0.05 -0.02 0.02 0.02 0.02 -0.02 0.01 -0.01 -0.04 -0.00 0.01 -0.02 -0.00 0.00 0.00 0.00 -0.01 -0.00 -0.00 0.00 -0.01 -0.01 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.05 -0.04 -0.03 -0.03 0.03 -0.01 -0.19 -0.19 0.10 0.29 0.27 0.28 -0.04 0.48 -0.18 0.30 0.10 0.01 -0.19 0.40 0.02 -0.30 -0.06 0.13 0.01 -0.00 -0.01 -0.01 -0.00 -0.00 -0.00 0.00 0.00 0.01 0.01 0.01 0.00 0.01 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.01 0.00 0.00 -0.00 0.00 0.00 -0.01 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -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 0.02 -0.03 -0.03 -0.02 0.03 -0.02 0.03 0.00 -0.00 -0.03 -0.04 -0.00 -0.01 -0.01 -0.01 0.00 -0.00 0.00 -0.00 0.02 0.02 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.07 0.05 0.04 0.04 -0.03 -0.00 -0.20 0.10 -0.23 0.07 -0.12 -0.20 -0.17 0.05 0.23 0.21 0.41 -0.33 0.11 0.30 0.43 0.04 -0.16 -0.30 0.05 -0.05 -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 0.00 -0.00 -0.03 0.01 -0.03 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -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 0.02 -0.06 -0.08 -0.06 -0.00 -0.00 -0.00 -0.00 0.09 -0.03 0.04 -0.03 0.07 0.08 -0.01 0.11 0.02 0.17 -0.03 -0.06 -0.06 -0.07 0.07 0.00 0.05 -0.06 -0.01 0.02 -0.00 0.01 -0.07 -0.02 0.01 -0.07 -0.07 -0.01 0.02 0.05 -0.00 0.02 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.03 -0.01 -0.01 0.02 0.01 0.01 -0.01 0.04 -0.00 0.01 0.00 0.00 -0.00 0.01 -0.00 -0.01 -0.00 0.00 -0.00 0.00 0.00 -0.04 -0.03 -0.03 -0.07 -0.47 0.04 -0.14 -0.22 -0.13 -0.07 -0.51 0.07 0.05 -0.19 0.11 0.21 -0.00 0.06 0.12 -0.03 0.20 0.12 -0.03 0.23 0.23 0.00 0.06 0.03 -0.01 0.06 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.02 -0.00 0.01 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.01 0.01 0.01 -0.04 -0.03 -0.05 -0.00 -0.00 0.00 0.00 0.04 -0.01 0.03 -0.02 0.05 0.04 -0.01 0.06 0.01 0.11 -0.02 -0.03 -0.04 -0.04 -0.11 0.02 -0.09 0.11 0.01 -0.03 -0.01 -0.02 0.10 0.02 -0.02 0.14 0.13 0.01 -0.00 -0.06 0.01 -0.07 -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 0.01 0.00 0.00 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 -0.03 -0.03 -0.24 0.03 -0.07 -0.13 -0.06 -0.04 -0.31 0.04 0.03 -0.11 0.07 -0.40 0.00 -0.10 -0.18 0.04 -0.27 -0.22 0.05 -0.37 -0.43 -0.01 -0.08 -0.12 -0.00 -0.03 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.01 0.00 0.00 0.00 -0.01 0.00 0.01 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.01 0.02 -0.00 0.00 0.00 0.00 0.01 -0.01 0.02 -0.09 0.13 -0.18 0.00 0.00 0.00 0.02 -0.17 0.09 0.07 -0.03 0.11 -0.07 0.06 -0.11 -0.03 0.16 -0.10 0.10 -0.14 0.18 -0.09 0.01 -0.09 0.19 -0.01 0.09 0.12 -0.02 0.18 -0.13 0.02 -0.18 -0.18 0.00 -0.08 0.08 -0.01 0.07 -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 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.07 -0.12 -0.08 0.08 0.26 0.04 -0.05 -0.16 -0.02 -0.08 -0.20 -0.05 -0.15 0.11 -0.24 -0.27 -0.02 0.04 -0.05 0.04 -0.25 0.06 -0.04 0.27 0.23 0.02 -0.04 0.10 -0.00 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 0.01 0.00 -0.01 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.01 -0.01 -0.01 0.06 0.02 0.08 -0.00 -0.00 0.00 -0.03 -0.04 -0.03 -0.07 -0.05 -0.09 0.05 0.03 0.07 0.03 0.02 0.04 -0.05 0.02 -0.07 -0.23 -0.05 0.22 0.26 0.02 -0.07 0.10 0.03 -0.15 -0.10 -0.03 0.13 -0.25 -0.03 0.08 0.23 0.05 -0.24 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.03 0.04 0.03 -0.02 0.08 -0.05 0.09 0.10 0.09 0.03 -0.01 0.05 0.04 -0.07 0.08 -0.32 0.01 -0.14 0.20 -0.01 0.06 -0.19 -0.01 -0.02 0.29 -0.01 0.16 -0.20 -0.07 0.35 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 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -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 -0.01 0.00 -0.02 0.09 -0.10 0.17 -0.00 -0.00 -0.00 -0.03 0.14 -0.09 -0.08 0.01 -0.11 0.09 -0.06 0.14 0.04 -0.11 0.09 -0.11 0.12 -0.19 -0.06 0.04 -0.21 0.14 -0.01 0.12 0.10 -0.04 0.25 -0.11 0.03 -0.22 -0.10 0.01 -0.11 0.00 -0.02 0.14 -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 0.07 0.10 0.07 -0.08 -0.22 -0.04 0.06 0.15 0.04 0.07 0.12 0.06 0.14 -0.13 0.23 -0.24 -0.02 0.09 -0.14 0.05 -0.30 0.11 -0.04 0.27 0.12 0.02 -0.09 0.16 0.02 -0.04 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.01 -0.00 0.02 0.02 0.01 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.01 0.00 0.00 -0.00 -0.00 0.02 0.03 0.01 -0.11 -0.17 -0.10 0.00 0.00 -0.00 0.08 0.31 0.03 0.17 0.20 0.18 -0.15 -0.23 -0.14 -0.08 -0.24 -0.03 0.07 0.11 0.06 -0.08 -0.02 0.05 0.08 0.01 -0.01 0.04 0.01 -0.02 -0.03 -0.00 0.02 -0.08 -0.01 0.01 0.06 0.01 -0.05 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.01 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.05 -0.02 -0.02 0.00 -0.46 0.14 -0.24 -0.17 -0.28 -0.02 0.25 -0.11 0.05 0.15 0.03 -0.09 -0.00 -0.03 0.04 0.00 -0.02 -0.04 -0.01 0.02 0.09 -0.00 0.03 -0.03 -0.01 0.08 0.01 0.01 0.01 -0.01 0.00 0.00 -0.00 0.00 -0.00 -0.01 0.04 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.01 0.02 0.08 -0.06 -0.08 -0.01 0.01 -0.02 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.20 0.35 0.40 0.02 -0.06 0.01 0.10 -0.31 -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 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.20 0.17 0.20 0.03 -0.03 0.02 -0.00 0.00 0.00 0.02 0.00 -0.01 0.00 0.00 -0.01 0.01 0.01 -0.01 -0.01 0.01 0.00 -0.01 -0.01 -0.00 0.48 -0.18 -0.24 -0.01 -0.00 0.00 0.00 0.01 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.01 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.04 -0.04 0.01 0.13 -0.47 0.03 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.04 0.00 0.00 -0.01 0.01 0.09 -0.07 0.01 -0.00 0.01 -0.00 0.00 0.01 -0.00 -0.02 0.05 0.05 -0.28 0.72 -0.08 0.01 -0.04 -0.05 -0.03 0.03 0.00 0.01 -0.03 0.02 0.01 0.00 0.00 -0.00 0.02 -0.01 -0.00 0.01 -0.01 0.00 -0.01 0.01 -0.00 -0.02 0.01 -0.01 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 -0.02 0.03 0.02 -0.18 0.25 -0.07 -0.01 0.01 -0.01 0.03 -0.01 -0.04 -0.01 -0.02 0.02 0.01 0.02 0.00 0.00 0.02 0.00 -0.06 -0.04 -0.04 0.06 -0.02 -0.02 0.09 0.03 -0.02 -0.01 -0.03 -0.00 -0.00 0.01 -0.02 0.01 0.03 0.00 0.01 -0.00 0.02 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.01 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.28 -0.22 -0.48 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.04 -0.03 -0.08 -0.00 -0.01 -0.01 -0.38 0.29 0.64 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.04 -0.04 0.00 -0.01 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.01 0.00 -0.01 0.03 -0.00 0.04 -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 -0.06 0.16 0.13 0.05 -0.14 0.10 -0.07 -0.02 -0.06 0.16 -0.38 -0.39 -0.30 -0.15 0.22 -0.20 0.55 -0.29 0.01 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 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 -0.05 -0.01 0.00 -0.01 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.21 0.52 0.43 0.15 -0.46 0.31 -0.22 -0.07 -0.18 -0.05 0.12 0.12 0.10 0.05 -0.07 0.06 -0.17 0.09 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.01 0.00 -0.01 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.01 0.03 -0.00 0.03 -0.08 -0.02 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.07 -0.17 -0.15 0.08 -0.23 0.17 -0.02 0.00 -0.01 -0.19 0.45 0.49 0.03 -0.01 -0.02 -0.19 0.50 -0.29 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.03 -0.08 0.00 0.01 -0.03 -0.01 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.17 0.42 0.37 -0.18 0.56 -0.40 0.04 -0.01 0.02 -0.08 0.19 0.20 0.00 -0.01 -0.00 -0.08 0.21 -0.12 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.06 -0.06 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.02 -0.68 0.73 -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 -0.06 -0.03 0.07 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.02 -0.02 0.00 0.00 0.00 0.00 -0.00 0.01 -0.01 -0.00 -0.00 -0.00 0.07 -0.20 -0.19 0.69 0.35 -0.47 -0.10 0.24 -0.12 -0.03 -0.02 -0.01 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.06 -0.02 -0.06 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.01 -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 -0.03 -0.02 -0.01 -0.00 -0.00 0.00 -0.07 0.14 0.11 0.05 -0.18 0.11 0.72 0.24 0.56 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.05 0.00 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 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.01 -0.02 -0.00 0.01 -0.04 -0.00 0.01 0.00 0.01 -0.05 0.04 -0.00 0.03 0.02 0.01 0.01 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -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 -0.01 -0.02 0.11 0.19 0.02 -0.08 0.43 0.06 -0.18 -0.07 -0.10 0.57 -0.50 0.03 -0.37 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.01 -0.04 0.03 -0.00 0.00 -0.00 -0.04 -0.00 -0.05 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 0.01 0.01 0.00 -0.01 -0.01 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.01 -0.01 -0.01 0.00 0.01 -0.01 0.01 0.00 0.01 -0.09 0.47 -0.31 0.42 0.03 0.61 -0.13 -0.30 -0.10 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.01 0.00 -0.00 0.00 0.00 -0.01 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.03 0.02 0.01 -0.02 -0.02 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.04 -0.02 -0.02 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -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 0.03 0.00 -0.01 0.00 0.01 -0.03 -0.00 -0.00 -0.00 -0.35 -0.27 -0.15 0.27 0.24 -0.05 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 0.01 -0.02 -0.00 0.00 -0.00 0.43 0.24 0.22 0.00 -0.00 0.00 -0.00 -0.00 -0.01 -0.00 0.01 -0.01 0.01 0.00 0.01 -0.00 -0.01 -0.00 0.01 0.02 -0.11 0.17 0.02 -0.07 -0.37 -0.05 0.16 -0.04 -0.06 0.37 0.04 -0.00 0.03 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.02 0.02 0.01 -0.02 -0.02 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 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.01 0.02 0.00 -0.01 -0.04 -0.01 0.02 -0.01 -0.01 0.04 0.01 -0.00 0.00 -0.24 -0.18 -0.10 0.22 0.19 -0.04 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.01 -0.00 -0.01 0.00 -0.00 -0.00 0.02 0.01 -0.01 -0.00 0.00 -0.00 0.33 0.18 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 -0.02 -0.03 0.15 -0.23 -0.02 0.09 0.51 0.07 -0.22 0.06 0.08 -0.47 -0.09 0.00 -0.06 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.05 -0.05 0.01 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.04 0.02 0.02 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -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 0.61 0.56 -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 0.01 0.00 -0.00 0.00 0.00 -0.00 -0.43 -0.24 -0.22 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.01 -0.00 0.00 -0.00 -0.00 0.01 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 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 -0.01 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.02 -0.04 -0.00 0.02 -0.03 -0.00 0.02 0.01 0.00 -0.01 -0.05 0.00 -0.04 0.11 0.08 0.05 0.04 0.04 -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 0.08 0.04 0.04 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.01 0.01 0.00 0.00 0.00 -0.00 -0.01 -0.00 -0.03 -0.05 0.27 0.49 0.05 -0.20 0.35 0.05 -0.15 -0.02 -0.02 0.14 0.52 -0.03 0.39 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.03 0.02 0.01 0.01 0.01 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.02 0.01 0.01 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.01 -0.04 0.03 0.00 -0.00 0.00 0.01 0.00 0.01 -0.02 -0.04 -0.01 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.01 -0.00 0.00 -0.01 -0.00 0.00 0.00 0.00 -0.00 -0.01 0.00 -0.00 -0.38 -0.29 -0.16 -0.12 -0.11 0.02 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 0.01 0.00 -0.00 0.00 -0.24 -0.13 -0.12 0.00 0.00 -0.00 -0.01 -0.00 -0.01 -0.09 0.47 -0.31 -0.12 -0.01 -0.17 0.18 0.43 0.15 -0.01 -0.01 0.05 0.06 0.01 -0.02 0.06 0.01 -0.03 -0.00 -0.00 0.01 0.06 -0.00 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 -0.04 -0.03 -0.02 -0.01 -0.01 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.02 -0.01 -0.01 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.01 -0.03 0.02 0.00 -0.00 0.00 0.01 0.00 0.01 -0.01 -0.03 -0.01 0.00 0.00 0.00 -0.00 -0.00 0.00 0.01 0.00 -0.00 0.01 0.00 -0.00 -0.00 -0.00 0.00 0.01 -0.00 0.00 0.48 0.36 0.20 0.15 0.14 -0.03 -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 0.01 -0.01 -0.00 0.00 -0.00 0.30 0.16 0.15 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.07 0.37 -0.24 -0.10 -0.01 -0.14 0.15 0.34 0.12 0.01 0.01 -0.05 -0.07 -0.01 0.03 -0.07 -0.01 0.03 0.00 0.00 -0.01 -0.06 0.00 -0.05 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.01 0.03 -0.06 -0.01 0.02 0.00 0.00 -0.00 -0.00 -0.01 0.04 0.02 -0.00 0.02 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.01 -0.01 -0.01 -0.00 -0.01 -0.01 -0.01 -0.00 0.03 0.06 -0.34 0.68 0.07 -0.27 -0.05 -0.01 0.02 0.05 0.08 -0.47 -0.25 0.02 -0.18 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.03 -0.02 0.00 -0.00 0.00 -0.03 -0.00 -0.05 -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 0.06 -0.31 0.20 0.35 0.03 0.50 0.26 0.61 0.20 0.00 0.00 -0.02 0.01 0.00 -0.01 0.00 0.00 -0.00 0.00 0.00 -0.01 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -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 -0.01 -0.00 0.01 0.03 0.00 -0.01 -0.00 -0.00 0.02 0.02 -0.00 0.01 0.01 0.01 0.01 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.01 0.00 -0.09 -0.15 0.85 0.15 0.02 -0.06 -0.33 -0.04 0.14 0.02 0.03 -0.17 -0.19 0.01 -0.14 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.01 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 -0.05 -0.00 -0.07 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.01 -0.01 -0.00 -0.00 -0.00 0.00 0.00 -0.01 -0.00 -0.00 0.01 -0.00 -0.07 -0.03 -0.06 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.56 0.05 0.82 -0.00 0.00 -0.00 -0.01 -0.00 -0.01 0.00 0.01 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 17 17 8 8 8 7 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 298.150 1.00000 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 17 17 8 8 8 7 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 34.96885 34.96885 15.99491 15.99491 15.99491 14.00307 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 415.07420 0.99871 0.0322 0.03919 -0.03167 0.9994 -0.014 -0.03961 0.01274 0.99913 asymmetric 1 0.00860 0.00603 0.00515 0.17912 0.12561 0.10726 940251.7 23.11 29.81 41.32 45.03 66.24 72.84 78.48 90.56 96.00 113.58 143.96 158.07 195.51 206.18 252.40 283.57 309.24 323.23 334.81 344.72 351.25 369.64 417.27 436.09 449.24 477.66 500.29 532.69 579.30 599.11 609.76 617.04 646.95 679.31 684.45 711.27 714.69 764.77 816.24 834.68 858.88 901.64 915.01 929.82 939.65 951.43 1014.45 1018.52 1042.74 1091.19 1112.34 1150.34 1158.02 1179.91 1219.74 1231.58 1248.76 1284.30 1291.02 1312.73 1315.66 1340.87 1358.15 1385.41 1414.94 1428.30 1428.96 1434.53 1444.46 1455.10 1460.40 1461.36 1467.39 1490.33 1502.04 1546.48 1576.33 1585.79 1589.50 1620.19 1656.02 1690.11 1692.09 1703.29 1712.09 1783.63 1785.41 1810.73 1834.61 1861.25 1881.09 1893.69 1901.46 1931.69 1934.36 1942.86 1957.35 1972.67 2034.01 2044.47 2083.38 2112.18 2118.34 2127.73 2129.56 2144.04 2158.01 2183.06 2188.23 2334.76 2341.82 2357.46 2361.61 2402.73 2429.65 3328.06 4355.21 4364.57 4438.64 4443.42 4452.72 4478.85 4532.56 4565.61 4577.08 4577.29 4578.10 4579.83 4592.01 4593.28 4593.32 4602.83 4606.78 4609.43 4648.96 0.358123 0.384597 0.385541 0.297868 -2050.602424 -2050.575950 -2050.575005 -2050.662679 241.338 99.268 184.524 0.000 0.000 0.000 0.889 2.981 43.961 0.889 2.981 36.142 239.561 93.306 104.422 1 0.593 1.986 7.070 2 0.593 1.986 6.564 3 0.593 1.984 5.916 4 0.594 1.983 5.745 5 0.595 1.979 4.981 6 0.595 1.977 4.793 7 0.596 1.976 4.645 8 0.597 1.972 4.363 9 0.598 1.970 4.248 10 0.600 1.963 3.917 11 0.604 1.949 3.453 12 0.606 1.941 3.271 13 0.614 1.917 2.861 14 0.616 1.910 2.759 15 0.627 1.873 2.377 16 0.636 1.844 2.160 17 0.645 1.818 2.001 18 0.649 1.803 1.921 19 0.653 1.791 1.858 20 0.657 1.780 1.806 21 0.659 1.772 1.773 22 0.666 1.751 1.683 23 0.686 1.692 1.474 24 0.695 1.668 1.400 25 0.701 1.650 1.350 26 0.714 1.612 1.250 27 0.725 1.580 1.176 28 0.742 1.533 1.079 29 0.768 1.464 0.953 30 0.780 1.435 0.904 31 0.786 1.418 0.879 32 0.790 1.407 0.862 33 0.809 1.362 0.797 34 0.829 1.312 0.732 35 0.832 1.304 0.722 36 0.850 1.263 0.672 37 0.852 1.257 0.666 38 0.887 1.180 0.584 39 0.923 1.102 0.509 40 0.937 1.074 0.485 41 0.955 1.038 0.455 0.519119e+28 27.715267 63.816761 0.884032e+12 11.946468 27.507759 0.100000e+01 0.000000 0.000000 0.332386e+09 8.521642 19.621807 0.176667e+08 7.247157 16.687195 ./ancestor::cml:module[@dictRef='cc:finalization']/cml:molecule[@id='mol9999'] 3.0300 -2.7131 -0.2804 4.0768 -180.0222 -210.2519 -167.4376 15.2122 28.4925 -13.9560 5.8817 -24.3480 18.4663 15.2122 28.4925 -13.9560 60.7013 -94.4284 0.2290 62.3822 -6.4919 -43.8538 -19.3653 -25.0887 -38.4734 42.8830 -7754.6295 -5553.8670 -2892.8355 266.9428 348.9891 148.4168 -96.3525 129.4298 -113.8289 -2143.7582 -1681.8485 -1233.0875 -126.8676 156.5367 88.9893 (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A) (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(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 -2050.9605468 1.585E-9 3.031E-6 0.358123 0.3845971 -2050.5759496 -2050.5750054 -2050.6626786 2.4583392,-2.643778,0.1854388,-19.1777738,-23.970761,-1.7452346 C01 [X(C22H19Cl2N1O3)] 1.4837263 0.3745687 0.4805362 -0.3099746 0.4450703 0.0753804 0.3100473 -0.7289908 -0.2839636 -0.0207961 -0.17427 -0.1699078 -0.7376053 0.1342814 -0.566713 0.259637 -0.1955097 0.0926968 -0.4831723 -0.0271774 -0.4678663 -1.253396 0.7088436 -0.1075934 0.7547021 -2.0639888 0.0301134 -0.0299559 -0.0527583 -0.4495697 -1.6547187 -0.8714914 -0.021672 -0.4273294 -1.6118101 0.0736515 0.0279709 0.0239633 -0.4768853 -2.2962505 -0.2179952 0.9670279 -0.211009 -0.8651473 0.1832693 1.193022 0.2473986 -0.9645327 -0.4480354 -0.0908335 -0.0576477 -0.0196414 -0.4109214 -0.0172093 -0.1184227 -0.1258718 -0.5306121 0.6648721 0.1087233 -0.0304544 0.5934345 0.4902909 0.1602246 -0.0545408 0.0429717 0.3573632 0.037966 -0.0045556 -0.171146 -0.0217591 -0.1118278 -0.307234 -0.5329269 -0.2686166 -0.1923238 -1.303144 -0.3114813 0.0189459 -0.0874283 -0.0744657 0.2132567 0.5582345 0.2033848 -0.0257381 -0.0425198 0.0456324 0.0480492 0.0081718 -0.0250778 -0.0792957 0.0238044 0.0214941 0.0462585 -0.0065093 0.0541766 -0.0409657 -0.0394628 0.0398003 0.0559955 0.0051064 0.0192203 0.0288673 0.031901 0.2413622 0.355785 -0.0391505 -0.3308075 -0.0831862 0.1806585 0.0528537 0.0119409 2.7854075 0.6456934 -0.037648 -0.3539631 2.8011014 -0.1670882 -0.0674656 -0.010519 0.2900651 0.9719787 -0.7686423 0.4877085 -0.7232146 0.9969489 0.2650642 0.4974008 0.2936687 0.5470886 1.0939004 -0.4908396 0.2532912 -0.2714027 0.9817614 0.0369169 0.1530735 0.0479473 0.6481976 0.1469933 -0.0867547 -0.3247325 0.0938343 0.0957508 0.0315921 -0.2817892 0.0528748 0.0342695 0.0784083 0.2326441 0.1206173 0.0121455 0.0635795 -0.0114098 0.0770911 0.1011824 0.258766 -0.3132632 0.0071874 0.1063789 -0.4409701 -0.3156849 0.2396907 0.0701558 -0.1107179 -0.238785 -0.2110607 0.0165245 -0.0112747 0.0857611 -0.218254 -0.1050938 0.0297215 -0.0063652 -0.1843587 1.3917538 0.6948365 -0.6884892 1.049821 0.6705809 -0.5272749 -0.8620418 -0.3375695 0.605411 -0.0074578 0.0902992 -0.1039312 -0.0251483 0.1557493 0.0977604 -0.1238867 -0.0132399 -0.0828456 -0.3659877 -0.1963737 0.0399989 0.0572972 -0.0067042 -0.0244127 0.0755246 0.1478754 -0.1964612 1.6043293 -0.3636429 -0.5843196 -0.7073253 0.1861535 0.2405498 -0.5910708 0.0392965 0.60097 -0.3496955 0.0071192 0.1009679 0.1626952 -0.1918997 -0.1230589 -0.0931874 0.0539555 -0.0788443 -0.2616548 -0.0518799 0.0651579 -0.0629376 -0.1118691 -0.0068247 0.2121369 -0.0912424 -0.1488531 0.0117969 -0.1262295 -0.0421127 -0.142189 -0.0828693 -0.0393213 -0.0548976 -0.0683881 0.0929203 -0.0033292 -0.1125376 -0.0047908 -0.1270841 -0.1277122 -0.0429768 -0.0405533 -0.0151172 0.0842516 -0.0671701 -0.091709 -0.0349487 -0.0799126 -0.1349905 0.017167 -0.0111083 0.0314134 -0.1390697 0.0546326 0.0053369 -0.0623804 0.0250171 0.0145692 -0.0258164 -0.0423872 -0.0818914 0.051087 -0.015323 0.023656 -0.007105 -0.0433338 -0.0220292 0.0488377 -0.0581673 0.0518078 0.1295301 0.04533 -0.0628968 -0.1458491 -0.0695474 -0.0220594 -0.0905937 -0.1078438 -0.0824959 -0.1287996 -0.0533579 -0.1025294 0.0845877 -0.0875121 0.0497204 0.1123387 0.0770346 0.0811023 -0.0147671 0.0141171 0.130203 -0.004219 0.1244438 -0.0168176 -0.0055685 0.0363787 -0.0479366 0.0493501 0.0371533 -0.0515466 -0.0666258 -0.0118766 -0.0020531 -0.1567077 -0.0477714 -0.1491798 -0.0895723 0.0498526 0.0732197 -0.0142329 0.088573 0.0015956 0.0965656 -0.0631444 0.1334012 -0.063844 -0.1364807 -0.056929 0.1363586 -0.0775295 -0.0073779 0.0236699 0.1038782 0.0223177 0.0564676 0.091555 0.0420628 -0.0600292 0.0956106 0.0878217 0.0099338 -0.0282352 -0.0532323 0.1341203 0.0007744 0.0300316 -0.0621254 -0.019157 0.0737781 0.0037893 -0.0192213 -0.0041737 0.0493906 0.1305354 0.0143455 0.0785028 0.044422 0.1430181 -0.0494748 0.0827972 -0.0309976 0.129412 0.0667856 -0.0694344 0.0950707 -0.0882052 0.0452234 0.0459801 0.102984 0.0441558 0.1285017 0.0462958 0.0626749 0.118878 0.0523083 0.0708115 -0.0655027 0.1277276 -0.0611129 0.0817237 0.1521595 -0.0317138 0.0356275 -0.0234603 -0.0506921 -0.0338877 0.0287847 -0.0399547 0.1747391 0.1273326 0.0179716 0.0570106 0.0246062 0.20082 0.0301014 0.0820317 -0.0006539 -0.0335761 0.0691671 0.096804 -0.0683721 0.0963952 0.1422059 0.0607353 -0.0696473 0.0676147 0.0613043 0.0502161 0.0945187 -0.0559856 0.097759 0.1187869 0.0734293 -0.0831744 0.0635597 0.025711 0.1116099 0.0221647 0.0620847 0.0385373 0.1678238 0.0202982 0.0706963 0.0264953 -0.0908063 -0.0298903 0.1146327 0.0679343 0.1253305 0.1316684 -0.0177264 0.069194 -0.0164728 0.0903116 448.3496734|-12.8494043|407.7678652|-14.3124866|26.486024|420.174878 -0.000004560 -0.000001240 0.000004569 -0.000002374 -0.000003640 0.000007463 -0.000007013 0.000000113 -0.000003611 -0.000002825 0.000001992 -0.000002439 0.000003471 0.000005707 -0.000001525 0.000000037 0.000002208 -0.000004172 -0.000000943 -0.000004205 -0.000003715 -0.000003436 0.000000485 0.000008291 0.000007214 0.000001686 -0.000000760 0.000000713 0.000002135 0.000000199 -0.000000753 -0.000001842 0.000002329 -0.000003720 0.000000166 0.000002950 -0.000003812 0.000002497 -0.000001208 -0.000005227 -0.000004003 -0.000004746 0.000004022 0.000001366 0.000000652 -0.000000562 0.000002689 -0.000003275 0.000002222 0.000001187 -0.000006581 0.000000772 -0.000000411 -0.000001408 -0.000000706 0.000004699 -0.000003136 -0.000004095 -0.000003094 0.000001239 -0.000001037 -0.000000932 -0.000003570 0.000003359 0.000002941 -0.000004295 0.000006262 -0.000001954 -0.000003964 0.000003048 -0.000002293 0.000002384 0.000000011 0.000001903 0.000004123 -0.000000701 -0.000000130 0.000005176 0.000007945 -0.000003194 0.000002848 0.000001642 0.000000410 -0.000000352 -0.000001731 -0.000000835 0.000000688 -0.000005368 -0.000001282 0.000000657 0.000001134 -0.000000170 0.000000244 0.000001586 -0.000001304 0.000001293 0.000001474 -0.000000412 -0.000000196 0.000000011 -0.000000941 0.000000921 -0.000003318 -0.000001911 0.000001420 -0.000001025 -0.000001367 0.000003908 -0.000003229 -0.000001841 0.000004083 -0.000002399 0.000002373 -0.000003829 0.000001464 0.000001063 -0.000001486 -0.000001725 0.000002010 -0.000005204 -0.000000606 0.000002581 -0.000004497 0.000001290 0.000001235 -0.000002329 -0.000000366 0.000000507 0.000000724 0.000005217 -0.000000106 0.000000479 0.000000414 -0.000002100 0.000002614 0.000005233 -0.000000794 0.000002583 0.000002989 -0.000001952 0.000004458 397.1462999999997 AuxInfo=1/0/N:7;8;9;10;11;12;13;14;15;16;17;18;19;20;21;22;23;24;25;26;27;28;1;2;6;3;4;5;29;30;31;32;33;34;35;36;37;38;39;40;41;42;43;44;45;46;47/rA:47nCl0Cl0O0O0O0N0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:1.808,.2765,2.651;4.0384,-1.5356,3.2208;-1.5874,-1.2984,.0246;-2.1354,-3.485,-.0175;-.9835,3.5541,-.8412;-3.8745,-1.4862,-2.4947;1.0987,-2.3528,-1.1042;1.1809,-1.7349,.2712;.1712,-2.863,.0101;.5488,-1.496,-2.2283;2.1611,-3.3307,-1.5681;2.306,-1.9772,1.1871;-1.2826,-2.6163,.0081;2.6586,-1.1852,2.1977;-2.9668,-.89,-.1027;-2.9859,.6098,.118;-3.4674,-1.2418,-1.4428;-2.0145,1.3819,-.5186;-3.9232,1.1988,.9624;-1.9532,2.746,-.2649;-3.876,2.5801,1.1688;-2.8898,3.3583,.5689;.2024,2.9387,-1.2632;1.0223,2.2911,-.3413;.5453,3.0199,-2.6067;2.2033,1.7005,-.7828;1.7388,2.4357,-3.0363;2.5649,1.7719,-2.1298;.7299,-.7542,.3437;.4161,-3.8479,.3869;.0615,-2.125,-2.9793;1.372,-.9635,-2.7124;-.1694,-.7567,-1.8801;1.7688,-3.9362,-2.3901;2.4876,-4.0101,-.7796;3.0344,-2.7842,-1.9377;2.9072,-2.8667,1.0385;-3.5833,-1.4064,.6362;-1.297,.9179,-1.1795;-4.6707,.5913,1.4586;-4.6001,3.0506,1.8235;-2.8282,4.4249,.748;.7214,2.2378,.6974;-.1183,3.5246,-3.2984;2.8384,1.181,-.0745;2.0132,2.4918,-4.0834;3.483,1.3076,-2.4704; Gaussian 16 10-Oct-2024 Gaussian 16 3-Jul-2019 EM64L-G16RevC.01 135 C1[X(C22H19Cl2NO3)] RB3LYP 6-311+G(d,p) SP #P B3LYP 6-311+G(d,p) EmpiricalDispersion=gd3 scrf=(smd,Solvent=Water) geom=check guess=read output=wfx 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 397.1462999999997 AuxInfo=1/0/N:7;8;9;10;11;12;13;14;15;16;17;18;19;20;21;22;23;24;25;26;27;28;1;2;6;3;4;5;29;30;31;32;33;34;35;36;37;38;39;40;41;42;43;44;45;46;47/rA:47nCl0Cl0O0O0O0N0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:1.808,.2765,2.651;4.0384,-1.5356,3.2208;-1.5874,-1.2984,.0246;-2.1354,-3.485,-.0175;-.9835,3.5541,-.8412;-3.8745,-1.4862,-2.4947;1.0987,-2.3528,-1.1042;1.1809,-1.7349,.2712;.1712,-2.863,.0101;.5488,-1.496,-2.2283;2.1611,-3.3307,-1.5681;2.306,-1.9772,1.1871;-1.2826,-2.6163,.0081;2.6586,-1.1852,2.1977;-2.9668,-.89,-.1027;-2.9859,.6098,.118;-3.4674,-1.2418,-1.4428;-2.0145,1.3819,-.5186;-3.9232,1.1988,.9624;-1.9532,2.746,-.2649;-3.876,2.5801,1.1688;-2.8898,3.3583,.5689;.2024,2.9387,-1.2632;1.0223,2.2911,-.3413;.5453,3.0199,-2.6067;2.2033,1.7005,-.7828;1.7388,2.4357,-3.0363;2.5649,1.7719,-2.1298;.7299,-.7542,.3437;.4161,-3.8479,.3869;.0615,-2.125,-2.9793;1.372,-.9635,-2.7124;-.1694,-.7567,-1.8801;1.7688,-3.9362,-2.3901;2.4876,-4.0101,-.7796;3.0344,-2.7842,-1.9377;2.9072,-2.8667,1.0385;-3.5833,-1.4064,.6362;-1.297,.9179,-1.1795;-4.6707,.5913,1.4586;-4.6001,3.0506,1.8235;-2.8282,4.4249,.748;.7214,2.2378,.6974;-.1183,3.5246,-3.2984;2.8384,1.181,-.0745;2.0132,2.4918,-4.0834;3.483,1.3076,-2.4704; oldchk=opt-b3lyp-pople.chk #P B3LYP 6-311+G(d,p) EmpiricalDispersion=gd3 scrf=(smd,Solvent=Water) 1/29=2,38=1,172=1/1 2/12=2,40=1/2 3/5=4,6=6,7=111,11=2,14=-4,25=1,30=1,70=32201,72=1,74=-5,116=-2,124=31/1,2,3 4/5=1/1 5/5=2,38=6,53=1/2 6/7=2,8=2,9=2,10=2,28=1/1 99/5=1,6=200,9=1/99 Wavefunction Cypermethrin-theta CONF41 water Redundant internal coordinates found in file. (old form). 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 35 35 16 16 16 14 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 34.9688527 34.9688527 15.9949146 15.9949146 15.9949146 14.0030740 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 3 3 0 0 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 14.2400000 14.2400000 5.6000000 5.6000000 5.6000000 4.5500000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 (Enter /usr/local/gaussian/gaussian16/g16/l101.exe) 6-311+G(d,p) (5D, 7F) 0.10000e-02 0.10000e-05 F 774 A 746 A 746 1194 774 108 108 2932.1804149201 47 47 47 1.00e+00 60 F IExCor= 402 DFT=T Ex+Corr=B3LYP ExCW=0 ScaHFX= 0.200000 ScaDFX= 0.800000 0.720000 1.000000 0.810000 ScalE2= 1.000000 1.000000 IRadAn= 5 IRanWt= -1 IRanGd= 0 ICorTp=0 IEmpDi=131 Grimme-D3 -0.0610536511 PCM SMD-Coulomb. Total charges None On-the-fly selection Water 78.355300 1.777849 0.000000 2.929728 0.000000 4.572387 6.474744 0.000000 6.067877 7.238990 2.254568 0.000000 5.543484 8.223421 4.966000 7.180104 0.000000 7.866062 9.761352 3.407747 3.627177 6.041189 0.000000 4.638659 5.292958 3.098549 3.594779 6.268664 5.236161 0.000000 3.178356 4.111652 2.813302 3.760868 5.821918 5.767904 1.510047 0.000000 4.416956 5.198728 2.353816 2.389105 6.575450 4.953447 1.536972 1.536373 0.000000 5.341715 6.470830 3.110899 4.006106 5.456662 4.431321 1.516614 2.589175 2.649821 0.000000 5.562115 5.448031 4.551692 4.570373 7.603751 6.378779 1.516620 2.625001 2.582528 2.530086 0.000000 2.733099 2.707852 4.119547 4.842588 6.747536 7.210752 2.616953 1.470867 2.593769 3.870884 3.073148 0.000000 4.990468 6.309015 1.352730 1.217567 6.235725 3.776067 2.641503 2.629680 1.474579 3.100104 3.854117 3.831062 0.000000 1.750858 1.753165 4.771120 5.760050 6.705253 8.049223 3.833891 2.489394 3.713200 4.912915 4.362572 1.331476 4.730298 0.000000 5.634041 7.780561 1.444292 2.726291 4.922263 2.626925 4.435287 4.249408 3.708442 4.152726 5.865184 5.536131 2.414332 6.084796 0.000000 5.432166 7.973197 2.367679 4.184336 3.687689 3.465380 5.191844 4.783640 4.694549 4.736451 6.697942 5.986636 3.649752 6.277549 1.516013 0.000000 6.847860 8.841547 2.385517 2.972811 5.434341 1.154119 4.711516 4.978678 4.240040 4.100182 6.004907 6.386624 2.960961 7.126268 1.473100 2.469050 0.000000 5.087195 7.689837 2.768021 4.894162 2.425946 3.948493 4.897308 4.533079 4.803753 4.216184 6.383280 5.732348 4.098653 5.983840 2.498308 1.394739 3.138315 0.000000 6.045482 8.715758 3.545617 5.108193 4.176400 4.377541 6.488754 5.927506 5.845344 6.118892 7.996118 6.995690 4.736841 7.108361 2.532166 1.392214 3.456732 2.422797 0.000000 5.361667 8.147541 4.071295 6.238604 1.387553 5.155089 6.001401 5.494382 6.004128 5.301848 7.453349 6.523620 5.410989 6.541224 3.778159 2.403545 4.425275 1.388835 2.789509 0.000000 6.309618 9.153608 4.646557 6.420494 3.654502 5.473244 7.365365 6.707994 6.881113 6.908996 8.881193 7.680281 5.922479 7.611662 3.805937 2.403908 4.647012 2.783562 1.397526 2.404253 0.000000 5.991763 8.887219 4.865932 6.909619 2.379197 5.815821 7.164047 6.526765 6.955951 6.573563 8.649868 7.472946 6.212293 7.353934 4.301687 2.786896 5.053810 2.419605 2.426163 1.395440 1.392139 0.000000 4.998609 7.405488 4.776526 6.948472 1.401082 6.141432 5.369277 5.015389 5.939871 4.551722 6.575356 5.881742 5.888952 5.917551 5.103893 4.182993 5.565636 2.809379 5.000106 2.383297 4.761989 3.618550 0.000000 3.691852 6.035706 4.452988 6.590841 2.422407 6.548526 4.706795 4.075380 5.235708 4.257584 5.865741 4.711904 5.432995 4.605303 5.107780 4.370793 5.818228 3.174913 5.229758 3.010995 5.133920 4.155872 1.393372 0.000000 6.063302 8.180137 5.488166 7.496936 2.395687 6.312819 5.606259 5.594101 6.449500 4.531751 6.634751 6.516397 6.476517 6.725402 5.821693 5.069772 5.968118 3.687213 6.001840 3.435264 5.830565 4.690217 1.388923 2.427051 0.000000 3.738308 5.465247 4.900491 6.804357 3.687152 7.072822 4.213365 3.735999 5.058015 3.878664 5.092264 4.173232 5.604638 4.173462 5.822686 5.378643 6.422569 4.238090 6.389957 4.317171 6.445233 5.524036 2.401625 1.392373 2.795802 0.000000 6.083706 7.759556 5.863043 7.692609 3.671472 6.868922 5.203076 5.351967 6.309771 4.186480 5.965289 6.134430 6.627146 6.430477 6.465912 5.967100 6.570125 4.640671 7.041065 4.626759 7.016338 5.938971 2.399433 2.792325 1.396522 2.415445 0.000000 5.066053 6.460644 5.595498 7.361348 4.174662 7.225887 4.496062 4.469600 5.638358 3.840989 5.149253 5.012368 6.215320 5.242161 6.464883 6.100430 6.778097 4.870215 7.210085 4.983951 7.281446 6.289109 2.773812 2.418276 2.421548 1.396494 1.394570 0.000000 2.747330 4.453656 2.401615 3.974623 4.785450 5.458245 2.188192 1.081874 2.206947 2.682956 3.513151 2.165919 2.762320 2.709787 3.726057 3.964649 4.587620 3.583034 5.084030 4.452030 5.745639 5.483098 4.061751 3.135040 4.794021 3.076586 4.755745 3.983284 0.000000 4.906563 5.147827 3.262666 2.608660 7.632612 5.682422 2.219159 2.250231 1.082626 3.519685 2.671090 2.777083 2.132136 3.924060 4.520322 5.613992 5.022008 5.837743 6.680511 7.036954 7.768752 7.930378 6.987649 6.211748 7.493036 5.945365 7.276739 6.521771 3.109961 0.000000 6.365325 7.389527 3.524992 3.930479 6.157602 4.016855 2.154954 3.459914 3.081097 1.094184 2.802355 4.734803 3.312516 5.867653 4.355602 5.134195 3.948963 4.760686 6.516346 5.929123 7.406086 7.167047 5.348530 5.233037 5.181086 4.903713 4.859653 4.708978 3.656316 3.798055 0.000000 5.522106 6.530008 4.044876 5.091390 5.427551 5.276883 2.142723 3.087623 3.530158 1.093380 2.745123 4.135940 4.144850 5.080729 5.063709 5.429373 5.010846 4.667147 6.798399 5.550462 7.427163 6.899787 4.323859 4.041934 4.069700 3.392845 3.434210 3.040552 3.129892 4.340420 1.771316 0.000000 5.050546 6.658258 2.435567 3.844272 4.508267 3.825880 2.181282 2.721816 2.850521 1.087979 3.486302 4.126132 2.874517 4.980932 3.317004 3.713837 3.362024 3.135560 5.098457 4.249651 5.845431 5.507306 3.764931 3.616212 3.911683 3.587671 3.894686 3.732594 2.398786 3.877885 1.770335 1.763903 0.000000 6.569649 6.511260 4.904317 4.590821 8.128886 6.153056 2.147023 3.503420 3.076536 2.732997 1.093680 4.113693 4.099346 5.422850 6.077653 7.040180 5.964458 6.789611 8.366934 7.938644 9.326980 9.146974 7.140631 6.598080 7.066267 5.877452 6.404645 5.769231 4.321874 3.090144 2.557802 3.016361 3.758511 0.000000 5.532174 4.952924 4.960355 4.714726 8.322787 7.056035 2.186516 2.826347 2.702838 3.489727 1.090871 2.834334 4.096069 4.107701 6.320140 7.218606 6.600373 7.029300 8.441824 8.101270 9.366042 9.220998 7.330899 6.484167 7.518775 5.717623 6.870302 5.938027 3.866844 2.382885 3.778628 3.776527 4.342313 1.765167 0.000000 5.650421 5.401602 5.236249 5.559188 7.584148 7.051732 2.151140 3.068462 3.463790 2.814569 1.094420 3.308435 4.738203 4.449619 6.555113 7.210336 6.700476 6.697886 8.525348 7.632645 9.283298 8.894265 6.420834 5.688226 6.350687 4.704964 5.489325 4.584248 3.825774 3.659285 3.218255 2.584333 3.791887 1.770148 1.772808 0.000000 3.699699 2.795376 4.867106 5.188935 7.739319 7.770477 2.850555 2.202260 2.922938 4.255879 2.750732 1.083868 4.321945 2.057403 6.301925 6.903770 7.030802 6.685708 7.949058 7.538234 8.700392 8.519115 6.805639 5.662142 7.315619 4.967056 6.788521 5.627761 3.112281 2.755588 4.979027 4.477561 4.736675 3.767615 2.188330 2.980021 0.000000 5.996413 8.049092 2.090331 2.616163 5.792069 3.145468 5.083921 4.789443 4.075494 5.028710 6.446733 5.942503 2.674223 6.438037 1.092143 2.165680 2.088743 3.401408 2.647382 4.551053 4.032585 4.815326 6.067892 5.986524 6.866871 6.719476 7.521484 7.453370 4.372000 4.692358 5.183976 5.997024 4.290552 6.648575 6.755706 7.233028 6.664897 0.000000 4.972410 7.338231 2.538949 4.630190 2.676230 3.761992 4.054968 3.909166 4.226779 3.214628 5.491817 5.192667 3.728415 5.610281 2.686304 2.152007 3.073128 1.080262 3.400509 2.146894 3.863804 3.398405 2.517730 2.822660 3.138367 3.608617 3.868706 4.067756 3.037141 5.301065 3.787403 3.607341 2.136920 5.867462 6.226406 5.748137 6.076019 3.731808 0.000000 6.595020 9.136670 3.890312 5.022230 5.259522 4.536360 6.965790 6.407992 6.121601 6.722603 8.439013 7.439464 4.885872 7.577670 2.745019 2.153098 3.636800 3.404377 1.083503 3.872769 2.161235 3.408706 6.055205 6.207980 7.044929 7.314818 8.042784 8.162374 5.676220 6.835998 7.033341 7.505250 5.764173 8.762312 8.799073 9.071757 8.340205 2.418586 4.295129 0.000000 7.031630 9.879775 5.588058 7.223377 4.520405 6.305184 8.381196 7.663538 7.811738 7.974923 9.896336 8.566068 6.812814 8.412520 4.680351 3.386974 5.511440 3.867164 2.151486 3.385333 1.083609 2.143359 5.709997 6.072417 6.789865 7.409613 8.011014 8.282566 6.713730 8.649571 8.460780 8.506053 6.916837 10.350467 10.337511 10.318713 9.591125 4.723114 4.947401 2.487162 0.000000 6.505744 9.422998 5.900801 7.976969 2.585883 6.822797 8.049133 7.364953 7.915405 7.437693 9.508242 8.218214 7.246686 7.979948 5.384311 3.870016 6.108970 3.394973 3.413642 2.147138 2.162893 1.083320 3.929114 4.534933 4.960644 5.923011 6.255762 6.663756 6.296485 8.893555 8.071251 7.658379 6.389405 10.044306 10.086617 9.672303 9.281501 5.881028 4.284724 4.312318 2.487003 0.000000 2.973837 5.622156 4.276475 6.436043 2.647016 6.721592 4.945883 4.021776 5.176205 4.746641 6.181711 4.529509 5.296565 4.209554 4.901688 4.090325 5.850989 3.113916 4.766765 2.887542 4.634191 3.783202 2.145856 1.082730 3.399968 2.162383 3.874863 3.407157 3.012794 6.101301 5.743539 4.722151 4.050184 6.981988 6.658592 6.124863 5.563250 5.640426 3.055988 5.689053 5.499752 4.169613 0.000000 7.046716 9.240395 6.038360 7.997949 2.605260 6.313629 6.390585 6.487809 7.199368 5.176519 7.428621 7.501077 7.070985 7.752463 6.149363 5.328382 6.113733 3.989206 6.167737 3.629726 5.913407 4.760742 2.142040 3.401041 1.083330 3.878894 2.168685 3.411364 5.682630 8.259591 5.661469 4.765214 4.510329 7.749187 8.361011 7.182753 8.295248 7.197353 3.560030 7.208141 6.822397 4.952530 4.281113 0.000000 3.050919 4.436160 5.073938 6.820072 4.563511 7.617969 4.071197 3.371812 4.845132 4.128823 4.800571 3.442257 5.604398 3.285466 6.163635 5.855423 6.892363 4.877283 6.840599 5.044232 6.970365 6.161623 3.383896 2.145135 3.879633 1.083872 3.399305 2.155951 2.892346 5.600996 5.203741 3.702454 4.007690 5.717721 5.250522 4.385559 4.198541 6.959719 4.288535 7.686631 7.901155 6.580942 2.488778 4.962654 0.000000 7.092379 8.583347 6.648732 8.334564 4.540969 7.280981 5.760427 6.125357 6.987401 4.635572 6.344309 6.916321 7.327732 7.306804 7.216857 6.796007 7.137879 5.491995 7.897636 5.511576 7.891533 6.814215 3.381187 3.876297 2.148122 3.399468 1.083977 2.153916 5.637633 7.920023 5.132573 3.772284 4.491192 6.651843 7.308572 5.786509 7.466397 8.294078 4.676239 8.888201 8.884781 7.107618 4.958799 2.495219 4.297734 0.000000 5.486075 6.386094 6.222930 7.781522 5.258339 7.870060 4.577101 4.698122 5.874933 4.065475 4.906671 5.054881 6.652146 5.355798 7.213560 7.002424 7.474151 5.834151 8.163758 6.040268 8.307690 7.352149 3.857474 3.399311 3.403035 2.153992 2.152923 1.083695 4.444068 6.644521 4.873238 3.110158 4.236694 5.517506 5.668119 4.150689 5.483493 8.182250 4.966534 9.079237 9.317266 7.739907 4.304231 4.309296 2.484306 2.482856 0.000000 C22H19Cl2NO3 C1 1 C1 1 C1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 397.1462999999997 AuxInfo=1/0/N:7;8;9;10;11;12;13;14;15;16;17;18;19;20;21;22;23;24;25;26;27;28;1;2;6;3;4;5;29;30;31;32;33;34;35;36;37;38;39;40;41;42;43;44;45;46;47/rA:47nCl0Cl0O0O0O0N0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:2.182,-1.1912,-2.1006;5.0566,-.7366,-1.7642;-.6784,1.8817,-.2889;-.1023,4.0503,-.0688;-2.7584,-2.6203,-.0317;-3.2532,3.199,1.5133;1.6837,1.4615,1.672;1.8842,.8775,.2939;1.5088,2.3604,.4376;.4747,.9993,2.4624;2.8793,1.7814,2.5485;3.2097,.5213,-.2348;.1943,2.8719,.0078;3.4367,-.3464,-1.2189;-2.0475,2.2167,-.6038;-2.7082,.9253,-1.0444;-2.708,2.7785,.5871;-2.4736,-.2252,-.2916;-3.4977,.8779,-2.1901;-2.9933,-1.4393,-.7213;-4.052,-.344,-2.5813;-3.7966,-1.5071,-1.8602;-1.6206,-2.6764,.7839;-.3517,-2.5291,.2276;-1.7939,-2.9106,2.142;.7644,-2.6041,1.0568;-.6671,-2.9973,2.9622;.61,-2.8391,2.4247;1.0689,.2523,-.045;2.2958,3.0898,.2941;.1398,1.7916,3.1387;.7486,.1298,3.0661;-.3601,.715,1.8253;2.5894,2.5064,3.3144;3.7159,2.2031,1.9897;3.2234,.8742,3.0547;4.0815,.9931,.2034;-2.0799,2.9678,-1.396;-1.8674,-.1774,.6013;-3.67,1.7746,-2.7734;-4.6686,-.3939,-3.471;-4.1978,-2.4632,-2.1742;-.2516,-2.3384,-.8335;-2.7949,-3.0131,2.5435;1.7539,-2.4745,.634;-.7929,-3.1773,4.0237;1.4808,-2.893,3.0675; 0.1791172 0.1256140 0.1072624 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= 746 RedAO= T EigKep= 1.13D-06 NBF= 746 NBsUse= 744 1.00D-06 EigRej= 7.68D-07 NBFU= 744 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= 769 769 769 769 769 MxSgAt= 47 MxSgA2= 47. 1 Closed 1 1 1 -2050.96054677382 -2050.96054677409 -0.000000000268 -2050.96054677 2 2.043975997051e+03 -1.068188711446e+04 3.654814455215e+03 Using DIIS extrapolation, IDIIS= 1040. NGot= 1415577600 LenX= 1414364904 LenY= 1413765054 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. PT1274.600S 2024-10-10T02:41:39.000 -101.57410 -101.57286 -19.19255 -19.17279 -19.13330 -14.33607 -10.32631 -10.29204 -10.28889 -10.24934 -10.24108 -10.23586 -10.20917 -10.20684 -10.20183 -10.20018 -10.19974 -10.18613 -10.18450 -10.18346 -10.18335 -10.18105 -10.18088 -10.18014 -10.17998 -10.17630 -10.16037 -10.15755 -9.48877 -9.48720 -7.25353 -7.25207 -7.24346 -7.24316 -7.24183 -7.24165 -1.13419 -1.08686 -1.04533 -0.93543 -0.92461 -0.89556 -0.88033 -0.86318 -0.84462 -0.81718 -0.77475 -0.77045 -0.75764 -0.75339 -0.73977 -0.72722 -0.69331 -0.67346 -0.64643 -0.62627 -0.62122 -0.61455 -0.59508 -0.58215 -0.56070 -0.55254 -0.54649 -0.52131 -0.51036 -0.50669 -0.49501 -0.48953 -0.48561 -0.48101 -0.47869 -0.46223 -0.45885 -0.44828 -0.44517 -0.43694 -0.43335 -0.42721 -0.42137 -0.41705 -0.41282 -0.40584 -0.40201 -0.39813 -0.39295 -0.38656 -0.38206 -0.38009 -0.37598 -0.37169 -0.36720 -0.36382 -0.35791 -0.35280 -0.34927 -0.34433 -0.33933 -0.33854 -0.33631 -0.33389 -0.32289 -0.30961 -0.28929 -0.27233 -0.26496 -0.26234 -0.24748 -0.23815 -0.04452 -0.03648 -0.02588 -0.02140 -0.01886 -0.01389 -0.00988 0.00016 0.00159 0.00892 0.01436 0.01549 0.01879 0.02018 0.02769 0.03270 0.03534 0.03693 0.03889 0.04426 0.04749 0.05322 0.05454 0.05712 0.06162 0.06593 0.06706 0.07136 0.07390 0.07787 0.08224 0.08375 0.08777 0.09227 0.09389 0.09702 0.09812 0.10114 0.10382 0.10550 0.10868 0.11084 0.11319 0.11739 0.12064 0.12104 0.12264 0.12561 0.12735 0.13050 0.13490 0.13770 0.13853 0.14254 0.14311 0.14645 0.14653 0.15290 0.15388 0.15661 0.15904 0.16141 0.16393 0.16584 0.16730 0.17000 0.17352 0.17690 0.18083 0.18245 0.18341 0.18675 0.18880 0.19019 0.19361 0.19775 0.19871 0.20140 0.20324 0.20531 0.20721 0.21110 0.21439 0.21590 0.21802 0.21881 0.22259 0.22415 0.22578 0.22872 0.22949 0.23135 0.23294 0.23462 0.23638 0.23937 0.24155 0.24335 0.24542 0.24802 0.24947 0.25205 0.25273 0.25613 0.25927 0.26086 0.26491 0.26503 0.26930 0.26947 0.27214 0.27313 0.27528 0.27714 0.28035 0.28529 0.28593 0.28919 0.29101 0.29445 0.29536 0.30092 0.30355 0.30575 0.30911 0.31387 0.31437 0.31776 0.32067 0.32570 0.32937 0.33147 0.33310 0.33613 0.34003 0.34217 0.34358 0.34611 0.35033 0.35536 0.35785 0.35923 0.36430 0.36848 0.37121 0.37309 0.37878 0.38038 0.38581 0.39146 0.39451 0.39722 0.40705 0.41057 0.41258 0.42493 0.42560 0.42868 0.43475 0.44619 0.45295 0.45434 0.46188 0.46486 0.47437 0.47926 0.48525 0.48779 0.49446 0.50006 0.50161 0.50874 0.51011 0.52943 0.53539 0.53913 0.54680 0.54963 0.55580 0.56462 0.56901 0.57172 0.57342 0.57515 0.57783 0.58608 0.58927 0.59579 0.59916 0.60231 0.60391 0.61053 0.61919 0.62604 0.62950 0.63450 0.63822 0.64135 0.64511 0.64853 0.65641 0.66025 0.66433 0.66850 0.66985 0.67299 0.67697 0.68123 0.68409 0.68617 0.69258 0.69675 0.70032 0.70300 0.70578 0.70954 0.71126 0.71599 0.72141 0.72544 0.73046 0.73293 0.73571 0.74226 0.74402 0.74720 0.75156 0.75306 0.75510 0.76081 0.76633 0.77057 0.77437 0.77987 0.78715 0.78845 0.79741 0.80089 0.80430 0.80762 0.81431 0.82354 0.82828 0.83297 0.83531 0.84151 0.84404 0.84783 0.85022 0.85710 0.86371 0.86545 0.86972 0.87589 0.88177 0.88959 0.89657 0.90260 0.90824 0.91365 0.91682 0.92598 0.93248 0.93746 0.94142 0.94419 0.94945 0.95568 0.95977 0.96261 0.96350 0.97066 0.97892 0.98469 0.99009 0.99498 0.99881 1.00559 1.00690 1.01550 1.02143 1.03172 1.04291 1.05109 1.05538 1.06049 1.06946 1.06999 1.07192 1.08276 1.08977 1.09338 1.10260 1.11287 1.12352 1.12580 1.13601 1.14457 1.14955 1.16211 1.16665 1.17883 1.18260 1.18779 1.19315 1.20875 1.21610 1.22582 1.23080 1.24719 1.26021 1.26297 1.28266 1.29227 1.29513 1.30761 1.32095 1.32484 1.33108 1.34048 1.36108 1.37555 1.38562 1.39955 1.40534 1.40705 1.42500 1.43820 1.45253 1.45422 1.46444 1.47768 1.47869 1.48684 1.49655 1.51248 1.51908 1.52594 1.53118 1.53532 1.53911 1.54864 1.55183 1.55731 1.56083 1.56959 1.57372 1.57882 1.58556 1.59020 1.59563 1.60410 1.61316 1.61892 1.62244 1.62910 1.63612 1.64561 1.64897 1.65873 1.66376 1.67206 1.68170 1.68722 1.68944 1.69262 1.69450 1.70602 1.71414 1.72072 1.73192 1.73800 1.74349 1.75302 1.75690 1.76058 1.76780 1.77868 1.78720 1.79572 1.80121 1.81562 1.81760 1.82176 1.82690 1.84431 1.84858 1.85694 1.85770 1.86343 1.88086 1.89022 1.89196 1.90631 1.91718 1.92163 1.93063 1.93232 1.93611 1.94259 1.94952 1.95766 1.96668 1.97076 1.98219 1.98972 1.99521 2.00210 2.00468 2.01184 2.02680 2.03041 2.03662 2.04208 2.04533 2.05476 2.06166 2.06962 2.08543 2.08909 2.09474 2.09683 2.10243 2.10470 2.11398 2.12986 2.13518 2.15883 2.17327 2.19173 2.21119 2.21364 2.23190 2.23267 2.23579 2.24026 2.26513 2.26946 2.27292 2.28648 2.30878 2.32206 2.33643 2.33891 2.34695 2.36079 2.37073 2.39104 2.40300 2.41350 2.42052 2.42650 2.44409 2.46313 2.47589 2.48042 2.49202 2.49630 2.50649 2.51501 2.52577 2.53942 2.54322 2.55391 2.57562 2.58206 2.58909 2.60170 2.61141 2.62994 2.64313 2.65096 2.65910 2.67282 2.67663 2.68980 2.69904 2.70780 2.71381 2.72193 2.73333 2.74043 2.74835 2.75768 2.76355 2.76758 2.77204 2.77323 2.77707 2.78401 2.79028 2.79565 2.80535 2.80766 2.80906 2.81800 2.82648 2.83316 2.83873 2.84827 2.85288 2.86574 2.87110 2.88362 2.88967 2.89500 2.90023 2.90807 2.91252 2.93221 2.94176 2.94623 2.95505 2.96426 2.97182 2.98040 2.99018 3.00186 3.01103 3.01995 3.03816 3.05299 3.05955 3.07565 3.09890 3.10334 3.11143 3.11558 3.14451 3.15015 3.16159 3.17084 3.17262 3.18106 3.18928 3.20640 3.22185 3.24576 3.26446 3.26689 3.29592 3.30899 3.33721 3.35886 3.36305 3.38172 3.38557 3.40182 3.41434 3.44866 3.46421 3.52831 3.54790 3.55959 3.58243 3.59437 3.62968 3.65603 3.66665 3.67420 3.71123 3.71851 3.73501 3.80179 3.82234 3.83985 3.85821 3.86813 3.89679 3.96133 3.99692 4.00739 4.01959 4.02440 4.03855 4.09344 4.13125 4.14370 4.15552 4.15910 4.18036 4.18264 4.22953 4.24372 4.32109 4.36044 4.53464 4.56927 4.65327 4.84165 4.85281 5.09984 5.12978 5.15445 5.23420 5.43225 5.44357 5.65145 5.86524 5.87761 9.75777 9.82619 23.52940 23.60250 23.63144 23.77979 23.80967 23.86341 23.88964 23.94482 23.95863 23.96735 23.98275 23.99420 24.01552 24.02985 24.07104 24.08004 24.09403 24.09978 24.18133 24.18456 24.19659 24.34534 25.83959 25.95864 25.98770 26.21644 26.54556 26.59665 35.86977 49.93644 49.98434 50.01102 215.74887 215.82883 1-A. Mulliken charges: 1 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 Cl Cl O O O N C C C C C C C C C C C C C C C C C C C C C C H H H H H H H H H H H H H H H H H H H 0.360989 0.547213 0.140092 -0.329129 -0.020846 -0.350839 0.092772 0.893806 -0.409236 -0.520869 -0.379190 -1.539898 -0.085601 -0.378736 0.355516 0.628424 -0.409725 0.980935 -0.482440 -0.780035 -0.223035 -0.674401 -0.411034 0.117127 -0.245024 0.085785 -0.040488 -0.389103 0.201258 0.207523 0.172482 0.176847 0.141044 0.174510 0.158449 0.172079 0.198948 0.254555 0.225650 0.162328 0.175252 0.170794 0.181730 0.169476 0.189459 0.170028 0.164558 -0.00000 3.0300 -2.7131 -0.2804 4.0768 -180.0222 -210.2519 -167.4376 15.2122 28.4925 -13.9560 5.8817 -24.3480 18.4663 15.2122 28.4925 -13.9560 60.7013 -94.4284 0.2290 62.3822 -6.4919 -43.8538 -19.3653 -25.0887 -38.4734 42.8830 -7754.6295 -5553.8670 -2892.8355 266.9428 348.9891 148.4168 -96.3525 129.4298 -113.8289 -2143.7582 -1681.8485 -1233.0875 -126.8676 156.5367 88.9893 (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A) (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(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-CIBELES05 APULGAR 2024-10-10T00:00:00.000 0 Wavefunction Cypermethrin-theta CONF41 water 0 1 Version=EM64L-G16RevC.01 State=1-A HF=-2050.9605468 RMSD=2.582e-10 Dipole=1.4837263,0.3745686,0.4805362 Quadrupole=2.4583393,-2.6437779,0.1854386,-19.1777737,-23.9707611,-1.7452346 PG=C01 [X(C22H19Cl2N1O3)] 0 1.807975687 0.2764615882 2.6509608026 0 4.0384461648 -1.5355961097 3.2208308131 0 -1.5873813124 -1.2984388572 0.0245627785 0 -2.1353993774 -3.484986254 -0.0174543334 0 -0.9834791725 3.5540764024 -0.8412066013 0 -3.8744585571 -1.4861726072 -2.4947170692 0 1.0987403546 -2.352814339 -1.104176141 0 1.1809008031 -1.7348531772 0.2711844176 0 0.1711519396 -2.8629836061 0.0100907273 0 0.5488338825 -1.4959960311 -2.2282682469 0 2.1610991048 -3.3307062483 -1.5681347597 0 2.3060231787 -1.9771555114 1.1870666142 0 -1.2826447384 -2.6162940147 0.0080828848 0 2.6585946571 -1.1852125232 2.1976840001 0 -2.9668483406 -0.8899753461 -0.102745088 0 -2.9859419421 0.609752949 0.1180381847 0 -3.4673710148 -1.2418016543 -1.4427889298 0 -2.0145003001 1.3819489456 -0.5186023698 0 -3.9231669833 1.1987520593 0.9624019096 0 -1.953167185 2.7460432798 -0.2649339075 0 -3.8759981527 2.5801458647 1.1688127856 0 -2.8897568132 3.3582584961 0.5688790029 0 0.2023996257 2.9387278854 -1.2631876165 0 1.0222823567 2.2911160771 -0.3412998896 0 0.5452940198 3.0199276073 -2.6066675617 0 2.2033359476 1.7004614065 -0.7828212104 0 1.7387500654 2.4356512546 -3.0362695516 0 2.5649087374 1.771869219 -2.1298032358 0 0.7298686163 -0.7541600095 0.3437269627 0 0.4160508288 -3.8479465419 0.3868567824 0 0.0615449491 -2.1250470492 -2.979322972 0 1.3719621384 -0.9635245639 -2.7124315695 0 -0.1694038135 -0.7566570675 -1.8801155419 0 1.7687957628 -3.9362391106 -2.3900614244 0 2.4875965557 -4.0100899257 -0.7795691328 0 3.0343516626 -2.7842295375 -1.9376590373 0 2.9071917375 -2.8667036145 1.0385056179 0 -3.5833009036 -1.4063842846 0.6362301752 0 -1.2969979425 0.9178933294 -1.1795175243 0 -4.6707102559 0.591325721 1.4585781886 0 -4.6001031772 3.0505599865 1.8234812472 0 -2.8281789176 4.4248928679 0.7479927989 0 0.7214255771 2.2377885152 0.697423185 0 -0.1183287775 3.5245581442 -3.2984450791 0 2.8383644454 1.1810393339 -0.0745009944 0 2.0131853937 2.4918091221 -4.0834260698 0 3.4829880116 1.3076113617 -2.4703754632 Gaussian 16 10-Oct-2024 Gaussian 16 3-Jul-2019 EM64L-G16RevC.01 135 C1[X(C22H19Cl2NO3)] RB3LYP TD-FC 6-311+G(d,p) SP #P B3LYP 6-311+G(d,p) EmpiricalDispersion=gd3 scrf=(smd,Solvent=Water) geom=check guess=read td=(singlets,nstates=10) 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 397.1462999999997 AuxInfo=1/0/N:7;8;9;10;11;12;13;14;15;16;17;18;19;20;21;22;23;24;25;26;27;28;1;2;6;3;4;5;29;30;31;32;33;34;35;36;37;38;39;40;41;42;43;44;45;46;47/rA:47nCl0Cl0O0O0O0N0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:1.808,.2765,2.651;4.0384,-1.5356,3.2208;-1.5874,-1.2984,.0246;-2.1354,-3.485,-.0175;-.9835,3.5541,-.8412;-3.8745,-1.4862,-2.4947;1.0987,-2.3528,-1.1042;1.1809,-1.7349,.2712;.1712,-2.863,.0101;.5488,-1.496,-2.2283;2.1611,-3.3307,-1.5681;2.306,-1.9772,1.1871;-1.2826,-2.6163,.0081;2.6586,-1.1852,2.1977;-2.9668,-.89,-.1027;-2.9859,.6098,.118;-3.4674,-1.2418,-1.4428;-2.0145,1.3819,-.5186;-3.9232,1.1988,.9624;-1.9532,2.746,-.2649;-3.876,2.5801,1.1688;-2.8898,3.3583,.5689;.2024,2.9387,-1.2632;1.0223,2.2911,-.3413;.5453,3.0199,-2.6067;2.2033,1.7005,-.7828;1.7388,2.4357,-3.0363;2.5649,1.7719,-2.1298;.7299,-.7542,.3437;.4161,-3.8479,.3869;.0615,-2.125,-2.9793;1.372,-.9635,-2.7124;-.1694,-.7567,-1.8801;1.7688,-3.9362,-2.3901;2.4876,-4.0101,-.7796;3.0344,-2.7842,-1.9377;2.9072,-2.8667,1.0385;-3.5833,-1.4064,.6362;-1.297,.9179,-1.1795;-4.6707,.5913,1.4586;-4.6001,3.0506,1.8235;-2.8282,4.4249,.748;.7214,2.2378,.6974;-.1183,3.5246,-3.2984;2.8384,1.181,-.0745;2.0132,2.4918,-4.0834;3.483,1.3076,-2.4704; oldchk=opt-b3lyp-pople.chk #P B3LYP 6-311+G(d,p) EmpiricalDispersion=gd3 scrf=(smd,Solvent=Water) 1/29=2,38=1,172=1/1 2/12=2,40=1/2 3/5=4,6=6,7=111,11=9,14=-4,25=1,30=1,70=32201,72=1,74=-5,116=-2,124=31/1,2,3,8 4/5=1/1 5/5=2,38=6,53=1/2 8/6=1,10=2,108=10/1 9/41=10,42=1,48=1,70=2/14 6/7=2,8=2,9=2,10=2/1 99/5=1,9=1/99 Electronic spectrum Cypermethrin-theta CONF41 water Redundant internal coordinates found in file. (old form). 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 35 35 16 16 16 14 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 34.9688527 34.9688527 15.9949146 15.9949146 15.9949146 14.0030740 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 3 3 0 0 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 14.2400000 14.2400000 5.6000000 5.6000000 5.6000000 4.5500000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 (Enter /usr/local/gaussian/gaussian16/g16/l101.exe) 6-311+G(d,p) (5D, 7F) 0.10000e-02 0.10000e-05 F 774 A 746 A 746 1194 774 108 108 2932.1804149201 47 47 47 1.00e+00 60 F IExCor= 402 DFT=T Ex+Corr=B3LYP ExCW=0 ScaHFX= 0.200000 ScaDFX= 0.800000 0.720000 1.000000 0.810000 ScalE2= 1.000000 1.000000 IRadAn= 5 IRanWt= -1 IRanGd= 0 ICorTp=0 IEmpDi=131 Grimme-D3 -0.0610536511 PCM SMD-Coulomb. Total charges None On-the-fly selection Water 78.355300 1.777849 0.000000 2.929728 0.000000 4.572387 6.474744 0.000000 6.067877 7.238990 2.254568 0.000000 5.543484 8.223421 4.966000 7.180104 0.000000 7.866062 9.761352 3.407747 3.627177 6.041189 0.000000 4.638659 5.292958 3.098549 3.594779 6.268664 5.236161 0.000000 3.178356 4.111652 2.813302 3.760868 5.821918 5.767904 1.510047 0.000000 4.416956 5.198728 2.353816 2.389105 6.575450 4.953447 1.536972 1.536373 0.000000 5.341715 6.470830 3.110899 4.006106 5.456662 4.431321 1.516614 2.589175 2.649821 0.000000 5.562115 5.448031 4.551692 4.570373 7.603751 6.378779 1.516620 2.625001 2.582528 2.530086 0.000000 2.733099 2.707852 4.119547 4.842588 6.747536 7.210752 2.616953 1.470867 2.593769 3.870884 3.073148 0.000000 4.990468 6.309015 1.352730 1.217567 6.235725 3.776067 2.641503 2.629680 1.474579 3.100104 3.854117 3.831062 0.000000 1.750858 1.753165 4.771120 5.760050 6.705253 8.049223 3.833891 2.489394 3.713200 4.912915 4.362572 1.331476 4.730298 0.000000 5.634041 7.780561 1.444292 2.726291 4.922263 2.626925 4.435287 4.249408 3.708442 4.152726 5.865184 5.536131 2.414332 6.084796 0.000000 5.432166 7.973197 2.367679 4.184336 3.687689 3.465380 5.191844 4.783640 4.694549 4.736451 6.697942 5.986636 3.649752 6.277549 1.516013 0.000000 6.847860 8.841547 2.385517 2.972811 5.434341 1.154119 4.711516 4.978678 4.240040 4.100182 6.004907 6.386624 2.960961 7.126268 1.473100 2.469050 0.000000 5.087195 7.689837 2.768021 4.894162 2.425946 3.948493 4.897308 4.533079 4.803753 4.216184 6.383280 5.732348 4.098653 5.983840 2.498308 1.394739 3.138315 0.000000 6.045482 8.715758 3.545617 5.108193 4.176400 4.377541 6.488754 5.927506 5.845344 6.118892 7.996118 6.995690 4.736841 7.108361 2.532166 1.392214 3.456732 2.422797 0.000000 5.361667 8.147541 4.071295 6.238604 1.387553 5.155089 6.001401 5.494382 6.004128 5.301848 7.453349 6.523620 5.410989 6.541224 3.778159 2.403545 4.425275 1.388835 2.789509 0.000000 6.309618 9.153608 4.646557 6.420494 3.654502 5.473244 7.365365 6.707994 6.881113 6.908996 8.881193 7.680281 5.922479 7.611662 3.805937 2.403908 4.647012 2.783562 1.397526 2.404253 0.000000 5.991763 8.887219 4.865932 6.909619 2.379197 5.815821 7.164047 6.526765 6.955951 6.573563 8.649868 7.472946 6.212293 7.353934 4.301687 2.786896 5.053810 2.419605 2.426163 1.395440 1.392139 0.000000 4.998609 7.405488 4.776526 6.948472 1.401082 6.141432 5.369277 5.015389 5.939871 4.551722 6.575356 5.881742 5.888952 5.917551 5.103893 4.182993 5.565636 2.809379 5.000106 2.383297 4.761989 3.618550 0.000000 3.691852 6.035706 4.452988 6.590841 2.422407 6.548526 4.706795 4.075380 5.235708 4.257584 5.865741 4.711904 5.432995 4.605303 5.107780 4.370793 5.818228 3.174913 5.229758 3.010995 5.133920 4.155872 1.393372 0.000000 6.063302 8.180137 5.488166 7.496936 2.395687 6.312819 5.606259 5.594101 6.449500 4.531751 6.634751 6.516397 6.476517 6.725402 5.821693 5.069772 5.968118 3.687213 6.001840 3.435264 5.830565 4.690217 1.388923 2.427051 0.000000 3.738308 5.465247 4.900491 6.804357 3.687152 7.072822 4.213365 3.735999 5.058015 3.878664 5.092264 4.173232 5.604638 4.173462 5.822686 5.378643 6.422569 4.238090 6.389957 4.317171 6.445233 5.524036 2.401625 1.392373 2.795802 0.000000 6.083706 7.759556 5.863043 7.692609 3.671472 6.868922 5.203076 5.351967 6.309771 4.186480 5.965289 6.134430 6.627146 6.430477 6.465912 5.967100 6.570125 4.640671 7.041065 4.626759 7.016338 5.938971 2.399433 2.792325 1.396522 2.415445 0.000000 5.066053 6.460644 5.595498 7.361348 4.174662 7.225887 4.496062 4.469600 5.638358 3.840989 5.149253 5.012368 6.215320 5.242161 6.464883 6.100430 6.778097 4.870215 7.210085 4.983951 7.281446 6.289109 2.773812 2.418276 2.421548 1.396494 1.394570 0.000000 2.747330 4.453656 2.401615 3.974623 4.785450 5.458245 2.188192 1.081874 2.206947 2.682956 3.513151 2.165919 2.762320 2.709787 3.726057 3.964649 4.587620 3.583034 5.084030 4.452030 5.745639 5.483098 4.061751 3.135040 4.794021 3.076586 4.755745 3.983284 0.000000 4.906563 5.147827 3.262666 2.608660 7.632612 5.682422 2.219159 2.250231 1.082626 3.519685 2.671090 2.777083 2.132136 3.924060 4.520322 5.613992 5.022008 5.837743 6.680511 7.036954 7.768752 7.930378 6.987649 6.211748 7.493036 5.945365 7.276739 6.521771 3.109961 0.000000 6.365325 7.389527 3.524992 3.930479 6.157602 4.016855 2.154954 3.459914 3.081097 1.094184 2.802355 4.734803 3.312516 5.867653 4.355602 5.134195 3.948963 4.760686 6.516346 5.929123 7.406086 7.167047 5.348530 5.233037 5.181086 4.903713 4.859653 4.708978 3.656316 3.798055 0.000000 5.522106 6.530008 4.044876 5.091390 5.427551 5.276883 2.142723 3.087623 3.530158 1.093380 2.745123 4.135940 4.144850 5.080729 5.063709 5.429373 5.010846 4.667147 6.798399 5.550462 7.427163 6.899787 4.323859 4.041934 4.069700 3.392845 3.434210 3.040552 3.129892 4.340420 1.771316 0.000000 5.050546 6.658258 2.435567 3.844272 4.508267 3.825880 2.181282 2.721816 2.850521 1.087979 3.486302 4.126132 2.874517 4.980932 3.317004 3.713837 3.362024 3.135560 5.098457 4.249651 5.845431 5.507306 3.764931 3.616212 3.911683 3.587671 3.894686 3.732594 2.398786 3.877885 1.770335 1.763903 0.000000 6.569649 6.511260 4.904317 4.590821 8.128886 6.153056 2.147023 3.503420 3.076536 2.732997 1.093680 4.113693 4.099346 5.422850 6.077653 7.040180 5.964458 6.789611 8.366934 7.938644 9.326980 9.146974 7.140631 6.598080 7.066267 5.877452 6.404645 5.769231 4.321874 3.090144 2.557802 3.016361 3.758511 0.000000 5.532174 4.952924 4.960355 4.714726 8.322787 7.056035 2.186516 2.826347 2.702838 3.489727 1.090871 2.834334 4.096069 4.107701 6.320140 7.218606 6.600373 7.029300 8.441824 8.101270 9.366042 9.220998 7.330899 6.484167 7.518775 5.717623 6.870302 5.938027 3.866844 2.382885 3.778628 3.776527 4.342313 1.765167 0.000000 5.650421 5.401602 5.236249 5.559188 7.584148 7.051732 2.151140 3.068462 3.463790 2.814569 1.094420 3.308435 4.738203 4.449619 6.555113 7.210336 6.700476 6.697886 8.525348 7.632645 9.283298 8.894265 6.420834 5.688226 6.350687 4.704964 5.489325 4.584248 3.825774 3.659285 3.218255 2.584333 3.791887 1.770148 1.772808 0.000000 3.699699 2.795376 4.867106 5.188935 7.739319 7.770477 2.850555 2.202260 2.922938 4.255879 2.750732 1.083868 4.321945 2.057403 6.301925 6.903770 7.030802 6.685708 7.949058 7.538234 8.700392 8.519115 6.805639 5.662142 7.315619 4.967056 6.788521 5.627761 3.112281 2.755588 4.979027 4.477561 4.736675 3.767615 2.188330 2.980021 0.000000 5.996413 8.049092 2.090331 2.616163 5.792069 3.145468 5.083921 4.789443 4.075494 5.028710 6.446733 5.942503 2.674223 6.438037 1.092143 2.165680 2.088743 3.401408 2.647382 4.551053 4.032585 4.815326 6.067892 5.986524 6.866871 6.719476 7.521484 7.453370 4.372000 4.692358 5.183976 5.997024 4.290552 6.648575 6.755706 7.233028 6.664897 0.000000 4.972410 7.338231 2.538949 4.630190 2.676230 3.761992 4.054968 3.909166 4.226779 3.214628 5.491817 5.192667 3.728415 5.610281 2.686304 2.152007 3.073128 1.080262 3.400509 2.146894 3.863804 3.398405 2.517730 2.822660 3.138367 3.608617 3.868706 4.067756 3.037141 5.301065 3.787403 3.607341 2.136920 5.867462 6.226406 5.748137 6.076019 3.731808 0.000000 6.595020 9.136670 3.890312 5.022230 5.259522 4.536360 6.965790 6.407992 6.121601 6.722603 8.439013 7.439464 4.885872 7.577670 2.745019 2.153098 3.636800 3.404377 1.083503 3.872769 2.161235 3.408706 6.055205 6.207980 7.044929 7.314818 8.042784 8.162374 5.676220 6.835998 7.033341 7.505250 5.764173 8.762312 8.799073 9.071757 8.340205 2.418586 4.295129 0.000000 7.031630 9.879775 5.588058 7.223377 4.520405 6.305184 8.381196 7.663538 7.811738 7.974923 9.896336 8.566068 6.812814 8.412520 4.680351 3.386974 5.511440 3.867164 2.151486 3.385333 1.083609 2.143359 5.709997 6.072417 6.789865 7.409613 8.011014 8.282566 6.713730 8.649571 8.460780 8.506053 6.916837 10.350467 10.337511 10.318713 9.591125 4.723114 4.947401 2.487162 0.000000 6.505744 9.422998 5.900801 7.976969 2.585883 6.822797 8.049133 7.364953 7.915405 7.437693 9.508242 8.218214 7.246686 7.979948 5.384311 3.870016 6.108970 3.394973 3.413642 2.147138 2.162893 1.083320 3.929114 4.534933 4.960644 5.923011 6.255762 6.663756 6.296485 8.893555 8.071251 7.658379 6.389405 10.044306 10.086617 9.672303 9.281501 5.881028 4.284724 4.312318 2.487003 0.000000 2.973837 5.622156 4.276475 6.436043 2.647016 6.721592 4.945883 4.021776 5.176205 4.746641 6.181711 4.529509 5.296565 4.209554 4.901688 4.090325 5.850989 3.113916 4.766765 2.887542 4.634191 3.783202 2.145856 1.082730 3.399968 2.162383 3.874863 3.407157 3.012794 6.101301 5.743539 4.722151 4.050184 6.981988 6.658592 6.124863 5.563250 5.640426 3.055988 5.689053 5.499752 4.169613 0.000000 7.046716 9.240395 6.038360 7.997949 2.605260 6.313629 6.390585 6.487809 7.199368 5.176519 7.428621 7.501077 7.070985 7.752463 6.149363 5.328382 6.113733 3.989206 6.167737 3.629726 5.913407 4.760742 2.142040 3.401041 1.083330 3.878894 2.168685 3.411364 5.682630 8.259591 5.661469 4.765214 4.510329 7.749187 8.361011 7.182753 8.295248 7.197353 3.560030 7.208141 6.822397 4.952530 4.281113 0.000000 3.050919 4.436160 5.073938 6.820072 4.563511 7.617969 4.071197 3.371812 4.845132 4.128823 4.800571 3.442257 5.604398 3.285466 6.163635 5.855423 6.892363 4.877283 6.840599 5.044232 6.970365 6.161623 3.383896 2.145135 3.879633 1.083872 3.399305 2.155951 2.892346 5.600996 5.203741 3.702454 4.007690 5.717721 5.250522 4.385559 4.198541 6.959719 4.288535 7.686631 7.901155 6.580942 2.488778 4.962654 0.000000 7.092379 8.583347 6.648732 8.334564 4.540969 7.280981 5.760427 6.125357 6.987401 4.635572 6.344309 6.916321 7.327732 7.306804 7.216857 6.796007 7.137879 5.491995 7.897636 5.511576 7.891533 6.814215 3.381187 3.876297 2.148122 3.399468 1.083977 2.153916 5.637633 7.920023 5.132573 3.772284 4.491192 6.651843 7.308572 5.786509 7.466397 8.294078 4.676239 8.888201 8.884781 7.107618 4.958799 2.495219 4.297734 0.000000 5.486075 6.386094 6.222930 7.781522 5.258339 7.870060 4.577101 4.698122 5.874933 4.065475 4.906671 5.054881 6.652146 5.355798 7.213560 7.002424 7.474151 5.834151 8.163758 6.040268 8.307690 7.352149 3.857474 3.399311 3.403035 2.153992 2.152923 1.083695 4.444068 6.644521 4.873238 3.110158 4.236694 5.517506 5.668119 4.150689 5.483493 8.182250 4.966534 9.079237 9.317266 7.739907 4.304231 4.309296 2.484306 2.482856 0.000000 C22H19Cl2NO3 C1 1 C1 1 C1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 397.1462999999997 AuxInfo=1/0/N:7;8;9;10;11;12;13;14;15;16;17;18;19;20;21;22;23;24;25;26;27;28;1;2;6;3;4;5;29;30;31;32;33;34;35;36;37;38;39;40;41;42;43;44;45;46;47/rA:47nCl0Cl0O0O0O0N0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:2.182,-1.1912,-2.1006;5.0566,-.7366,-1.7642;-.6784,1.8817,-.2889;-.1023,4.0503,-.0688;-2.7584,-2.6203,-.0317;-3.2532,3.199,1.5133;1.6837,1.4615,1.672;1.8842,.8775,.2939;1.5088,2.3604,.4376;.4747,.9993,2.4624;2.8793,1.7814,2.5485;3.2097,.5213,-.2348;.1943,2.8719,.0078;3.4367,-.3464,-1.2189;-2.0475,2.2167,-.6038;-2.7082,.9253,-1.0444;-2.708,2.7785,.5871;-2.4736,-.2252,-.2916;-3.4977,.8779,-2.1901;-2.9933,-1.4393,-.7213;-4.052,-.344,-2.5813;-3.7966,-1.5071,-1.8602;-1.6206,-2.6764,.7839;-.3517,-2.5291,.2276;-1.7939,-2.9106,2.142;.7644,-2.6041,1.0568;-.6671,-2.9973,2.9622;.61,-2.8391,2.4247;1.0689,.2523,-.045;2.2958,3.0898,.2941;.1398,1.7916,3.1387;.7486,.1298,3.0661;-.3601,.715,1.8253;2.5894,2.5064,3.3144;3.7159,2.2031,1.9897;3.2234,.8742,3.0547;4.0815,.9931,.2034;-2.0799,2.9678,-1.396;-1.8674,-.1774,.6013;-3.67,1.7746,-2.7734;-4.6686,-.3939,-3.471;-4.1978,-2.4632,-2.1742;-.2516,-2.3384,-.8335;-2.7949,-3.0131,2.5435;1.7539,-2.4745,.634;-.7929,-3.1773,4.0237;1.4808,-2.893,3.0675; 0.1791172 0.1256140 0.1072624 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= 746 RedAO= T EigKep= 1.13D-06 NBF= 746 NBsUse= 744 1.00D-06 EigRej= 7.68D-07 NBFU= 744 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= 769 769 769 769 769 MxSgAt= 47 MxSgA2= 47. 1 Closed 1 1 1 -2050.96054677383 -2050.96054677391 -0.000000000077 -2050.96054677 2 2.043975997050e+03 -1.068188711446e+04 3.654814455215e+03 Using DIIS extrapolation, IDIIS= 1040. NGot= 1415577600 LenX= 1414364904 LenY= 1413765054 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 4.5775 270.86 0.0664 0.000 105 111 -0.11569 108 109 0.67695 -2050.79232857 2 Singlet-A 4.9835 248.79 0.0033 0.000 108 110 0.69986 3 Singlet-A 5.0260 246.68 0.0395 0.000 107 109 0.59381 107 110 0.33637 107 113 0.11316 4 Singlet-A 5.0642 244.83 0.0992 0.000 107 109 -0.38001 107 110 0.53318 107 113 0.14296 107 115 -0.12420 5 Singlet-A 5.1007 243.08 0.0358 0.000 104 111 0.14745 105 114 0.14603 106 109 -0.23870 106 111 0.16578 108 111 0.13253 108 112 0.52799 108 114 -0.15016 6 Singlet-A 5.1087 242.69 0.1166 0.000 105 109 0.11491 108 111 0.65251 108 112 -0.14785 7 Singlet-A 5.2133 237.82 0.0231 0.000 107 110 -0.15539 107 112 -0.16972 107 113 0.63593 8 Singlet-A 5.2785 234.89 0.0216 0.000 105 109 0.20011 106 109 0.56777 108 112 0.29934 9 Singlet-A 5.4414 227.85 0.0168 0.000 105 109 0.42480 106 109 -0.20729 106 111 -0.15658 106 112 0.12179 108 112 0.12015 108 114 0.43071 108 115 0.11340 10 Singlet-A 5.4661 226.82 0.0203 0.000 105 109 0.26445 108 112 -0.16044 108 113 0.56434 108 114 -0.21798 PT45707.900S 2024-10-10T04:18:00.000 -101.57410 -101.57286 -19.19255 -19.17279 -19.13330 -14.33607 -10.32631 -10.29204 -10.28889 -10.24934 -10.24108 -10.23586 -10.20917 -10.20684 -10.20183 -10.20018 -10.19974 -10.18613 -10.18450 -10.18346 -10.18335 -10.18105 -10.18088 -10.18014 -10.17998 -10.17630 -10.16037 -10.15755 -9.48877 -9.48720 -7.25353 -7.25207 -7.24346 -7.24316 -7.24183 -7.24165 -1.13419 -1.08686 -1.04533 -0.93543 -0.92461 -0.89556 -0.88033 -0.86318 -0.84462 -0.81718 -0.77475 -0.77045 -0.75764 -0.75339 -0.73977 -0.72722 -0.69331 -0.67346 -0.64643 -0.62627 -0.62122 -0.61455 -0.59508 -0.58215 -0.56070 -0.55254 -0.54649 -0.52131 -0.51036 -0.50669 -0.49501 -0.48953 -0.48561 -0.48101 -0.47869 -0.46223 -0.45885 -0.44828 -0.44517 -0.43694 -0.43335 -0.42721 -0.42137 -0.41705 -0.41282 -0.40584 -0.40201 -0.39813 -0.39295 -0.38656 -0.38206 -0.38009 -0.37598 -0.37169 -0.36720 -0.36382 -0.35791 -0.35280 -0.34927 -0.34433 -0.33933 -0.33854 -0.33631 -0.33389 -0.32289 -0.30961 -0.28929 -0.27233 -0.26496 -0.26234 -0.24748 -0.23815 -0.04452 -0.03648 -0.02588 -0.02140 -0.01886 -0.01389 -0.00988 0.00016 0.00159 0.00892 0.01436 0.01549 0.01879 0.02018 0.02769 0.03270 0.03534 0.03693 0.03889 0.04426 0.04749 0.05322 0.05454 0.05712 0.06162 0.06593 0.06706 0.07136 0.07390 0.07787 0.08224 0.08375 0.08777 0.09227 0.09389 0.09702 0.09812 0.10114 0.10382 0.10550 0.10868 0.11084 0.11319 0.11739 0.12064 0.12104 0.12264 0.12561 0.12735 0.13050 0.13490 0.13770 0.13853 0.14254 0.14311 0.14645 0.14653 0.15290 0.15388 0.15661 0.15904 0.16141 0.16393 0.16584 0.16730 0.17000 0.17352 0.17690 0.18083 0.18245 0.18341 0.18675 0.18880 0.19019 0.19361 0.19775 0.19871 0.20140 0.20324 0.20531 0.20721 0.21110 0.21439 0.21590 0.21802 0.21881 0.22259 0.22415 0.22578 0.22872 0.22949 0.23135 0.23294 0.23462 0.23638 0.23937 0.24155 0.24335 0.24542 0.24802 0.24947 0.25205 0.25273 0.25613 0.25927 0.26086 0.26491 0.26503 0.26930 0.26947 0.27214 0.27313 0.27528 0.27714 0.28035 0.28529 0.28593 0.28919 0.29101 0.29445 0.29536 0.30092 0.30355 0.30575 0.30911 0.31387 0.31437 0.31776 0.32067 0.32570 0.32937 0.33147 0.33310 0.33613 0.34003 0.34217 0.34358 0.34611 0.35033 0.35536 0.35785 0.35923 0.36430 0.36848 0.37121 0.37309 0.37878 0.38038 0.38581 0.39146 0.39451 0.39722 0.40705 0.41057 0.41258 0.42493 0.42560 0.42868 0.43475 0.44619 0.45295 0.45434 0.46188 0.46486 0.47437 0.47926 0.48525 0.48779 0.49446 0.50006 0.50161 0.50874 0.51011 0.52943 0.53539 0.53913 0.54680 0.54963 0.55580 0.56462 0.56901 0.57172 0.57342 0.57515 0.57783 0.58608 0.58927 0.59579 0.59916 0.60231 0.60391 0.61053 0.61919 0.62604 0.62950 0.63450 0.63822 0.64135 0.64511 0.64853 0.65641 0.66025 0.66433 0.66850 0.66985 0.67299 0.67697 0.68123 0.68409 0.68617 0.69258 0.69675 0.70032 0.70300 0.70578 0.70954 0.71126 0.71599 0.72141 0.72544 0.73046 0.73293 0.73571 0.74226 0.74402 0.74720 0.75156 0.75306 0.75510 0.76081 0.76633 0.77057 0.77437 0.77987 0.78715 0.78845 0.79741 0.80089 0.80430 0.80762 0.81431 0.82354 0.82828 0.83297 0.83531 0.84151 0.84404 0.84783 0.85022 0.85710 0.86371 0.86545 0.86972 0.87589 0.88177 0.88959 0.89657 0.90260 0.90824 0.91365 0.91682 0.92598 0.93248 0.93746 0.94142 0.94419 0.94945 0.95568 0.95977 0.96261 0.96350 0.97066 0.97892 0.98469 0.99009 0.99498 0.99881 1.00559 1.00690 1.01550 1.02143 1.03172 1.04291 1.05109 1.05538 1.06049 1.06946 1.06999 1.07192 1.08276 1.08977 1.09338 1.10260 1.11287 1.12352 1.12580 1.13601 1.14457 1.14955 1.16211 1.16665 1.17883 1.18260 1.18779 1.19315 1.20875 1.21610 1.22582 1.23080 1.24719 1.26021 1.26297 1.28266 1.29227 1.29513 1.30761 1.32095 1.32484 1.33108 1.34048 1.36108 1.37555 1.38562 1.39955 1.40534 1.40705 1.42500 1.43820 1.45253 1.45422 1.46444 1.47768 1.47869 1.48684 1.49655 1.51248 1.51908 1.52594 1.53118 1.53532 1.53911 1.54864 1.55183 1.55731 1.56083 1.56959 1.57372 1.57882 1.58556 1.59020 1.59563 1.60410 1.61316 1.61892 1.62244 1.62910 1.63612 1.64561 1.64897 1.65873 1.66376 1.67206 1.68170 1.68722 1.68944 1.69262 1.69450 1.70602 1.71414 1.72072 1.73192 1.73800 1.74349 1.75302 1.75690 1.76058 1.76780 1.77868 1.78720 1.79572 1.80121 1.81562 1.81760 1.82176 1.82690 1.84431 1.84858 1.85694 1.85770 1.86343 1.88086 1.89022 1.89196 1.90631 1.91718 1.92163 1.93063 1.93232 1.93611 1.94259 1.94952 1.95766 1.96668 1.97076 1.98219 1.98972 1.99521 2.00210 2.00468 2.01184 2.02680 2.03041 2.03662 2.04208 2.04533 2.05476 2.06166 2.06962 2.08543 2.08909 2.09474 2.09683 2.10243 2.10470 2.11398 2.12986 2.13518 2.15883 2.17327 2.19173 2.21119 2.21364 2.23190 2.23267 2.23579 2.24026 2.26513 2.26946 2.27292 2.28648 2.30878 2.32206 2.33643 2.33891 2.34695 2.36079 2.37073 2.39104 2.40300 2.41350 2.42052 2.42650 2.44409 2.46313 2.47589 2.48042 2.49202 2.49630 2.50649 2.51501 2.52577 2.53942 2.54322 2.55391 2.57562 2.58206 2.58909 2.60170 2.61141 2.62994 2.64313 2.65096 2.65910 2.67282 2.67663 2.68980 2.69904 2.70780 2.71381 2.72193 2.73333 2.74043 2.74835 2.75768 2.76355 2.76758 2.77204 2.77323 2.77707 2.78401 2.79028 2.79565 2.80535 2.80766 2.80906 2.81800 2.82648 2.83316 2.83873 2.84827 2.85288 2.86574 2.87110 2.88362 2.88967 2.89500 2.90023 2.90807 2.91252 2.93221 2.94176 2.94623 2.95505 2.96426 2.97182 2.98040 2.99018 3.00186 3.01103 3.01995 3.03816 3.05299 3.05955 3.07565 3.09890 3.10334 3.11143 3.11558 3.14451 3.15015 3.16159 3.17084 3.17262 3.18106 3.18928 3.20640 3.22185 3.24576 3.26446 3.26689 3.29592 3.30899 3.33721 3.35886 3.36305 3.38172 3.38557 3.40182 3.41434 3.44866 3.46421 3.52831 3.54790 3.55959 3.58243 3.59437 3.62968 3.65603 3.66665 3.67420 3.71123 3.71851 3.73501 3.80179 3.82234 3.83985 3.85821 3.86813 3.89679 3.96133 3.99692 4.00739 4.01959 4.02440 4.03855 4.09344 4.13125 4.14370 4.15552 4.15910 4.18036 4.18264 4.22953 4.24372 4.32109 4.36044 4.53464 4.56927 4.65327 4.84165 4.85281 5.09984 5.12978 5.15445 5.23420 5.43225 5.44357 5.65145 5.86524 5.87761 9.75777 9.82619 23.52940 23.60250 23.63144 23.77979 23.80967 23.86341 23.88964 23.94482 23.95863 23.96735 23.98275 23.99420 24.01552 24.02985 24.07104 24.08004 24.09403 24.09978 24.18133 24.18456 24.19659 24.34534 25.83959 25.95864 25.98770 26.21644 26.54556 26.59665 35.86977 49.93644 49.98434 50.01102 215.74887 215.82883 1-A. Mulliken charges: 1 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 Cl Cl O O O N C C C C C C C C C C C C C C C C C C C C C C H H H H H H H H H H H H H H H H H H H 0.360989 0.547213 0.140092 -0.329129 -0.020846 -0.350839 0.092772 0.893806 -0.409236 -0.520869 -0.379190 -1.539898 -0.085601 -0.378736 0.355516 0.628424 -0.409725 0.980935 -0.482440 -0.780035 -0.223035 -0.674401 -0.411034 0.117127 -0.245024 0.085785 -0.040488 -0.389103 0.201258 0.207523 0.172482 0.176847 0.141044 0.174510 0.158449 0.172079 0.198948 0.254555 0.225650 0.162328 0.175252 0.170794 0.181730 0.169476 0.189459 0.170028 0.164558 -0.00000 3.0300 -2.7131 -0.2804 4.0768 -180.0222 -210.2519 -167.4376 15.2122 28.4925 -13.9560 5.8817 -24.3480 18.4663 15.2122 28.4925 -13.9560 60.7013 -94.4284 0.2290 62.3822 -6.4919 -43.8538 -19.3653 -25.0887 -38.4734 42.8830 -7754.6295 -5553.8670 -2892.8355 266.9428 348.9891 148.4168 -96.3525 129.4298 -113.8289 -2143.7582 -1681.8485 -1233.0875 -126.8676 156.5367 88.9893 (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A) (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(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-CIBELES05 APULGAR 2024-10-10T00:00:00.000 0 Electronic spectrum Cypermethrin-theta CONF41 water 0 1 Version=EM64L-G16RevC.01 State=1-A HF=-2050.9605468 RMSD=2.463e-10 PG=C01 [X(C22H19Cl2N1O3)] 0 1.807975687 0.2764615882 2.6509608026 0 4.0384461648 -1.5355961097 3.2208308131 0 -1.5873813124 -1.2984388572 0.0245627785 0 -2.1353993774 -3.484986254 -0.0174543334 0 -0.9834791725 3.5540764024 -0.8412066013 0 -3.8744585571 -1.4861726072 -2.4947170692 0 1.0987403546 -2.352814339 -1.104176141 0 1.1809008031 -1.7348531772 0.2711844176 0 0.1711519396 -2.8629836061 0.0100907273 0 0.5488338825 -1.4959960311 -2.2282682469 0 2.1610991048 -3.3307062483 -1.5681347597 0 2.3060231787 -1.9771555114 1.1870666142 0 -1.2826447384 -2.6162940147 0.0080828848 0 2.6585946571 -1.1852125232 2.1976840001 0 -2.9668483406 -0.8899753461 -0.102745088 0 -2.9859419421 0.609752949 0.1180381847 0 -3.4673710148 -1.2418016543 -1.4427889298 0 -2.0145003001 1.3819489456 -0.5186023698 0 -3.9231669833 1.1987520593 0.9624019096 0 -1.953167185 2.7460432798 -0.2649339075 0 -3.8759981527 2.5801458647 1.1688127856 0 -2.8897568132 3.3582584961 0.5688790029 0 0.2023996257 2.9387278854 -1.2631876165 0 1.0222823567 2.2911160771 -0.3412998896 0 0.5452940198 3.0199276073 -2.6066675617 0 2.2033359476 1.7004614065 -0.7828212104 0 1.7387500654 2.4356512546 -3.0362695516 0 2.5649087374 1.771869219 -2.1298032358 0 0.7298686163 -0.7541600095 0.3437269627 0 0.4160508288 -3.8479465419 0.3868567824 0 0.0615449491 -2.1250470492 -2.979322972 0 1.3719621384 -0.9635245639 -2.7124315695 0 -0.1694038135 -0.7566570675 -1.8801155419 0 1.7687957628 -3.9362391106 -2.3900614244 0 2.4875965557 -4.0100899257 -0.7795691328 0 3.0343516626 -2.7842295375 -1.9376590373 0 2.9071917375 -2.8667036145 1.0385056179 0 -3.5833009036 -1.4063842846 0.6362301752 0 -1.2969979425 0.9178933294 -1.1795175243 0 -4.6707102559 0.591325721 1.4585781886 0 -4.6001031772 3.0505599865 1.8234812472 0 -2.8281789176 4.4248928679 0.7479927989 0 0.7214255771 2.2377885152 0.697423185 0 -0.1183287775 3.5245581442 -3.2984450791 0 2.8383644454 1.1810393339 -0.0745009944 0 2.0131853937 2.4918091221 -4.0834260698 0 3.4829880116 1.3076113617 -2.4703754632 Gaussian 16 10-Oct-2024 Gaussian 16 3-Jul-2019 EM64L-G16RevC.01 135 C1[X(C22H19Cl2NO3)] RB3LYP 6-311+G(3df,2p) SP #P B3LYP 6-311+G(3df,2p) EmpiricalDispersion=gd3 scrf=(smd,Solvent=Water) geom=check guess=read 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 397.1462999999997 AuxInfo=1/0/N:7;8;9;10;11;12;13;14;15;16;17;18;19;20;21;22;23;24;25;26;27;28;1;2;6;3;4;5;29;30;31;32;33;34;35;36;37;38;39;40;41;42;43;44;45;46;47/rA:47nCl0Cl0O0O0O0N0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:1.808,.2765,2.651;4.0384,-1.5356,3.2208;-1.5874,-1.2984,.0246;-2.1354,-3.485,-.0175;-.9835,3.5541,-.8412;-3.8745,-1.4862,-2.4947;1.0987,-2.3528,-1.1042;1.1809,-1.7349,.2712;.1712,-2.863,.0101;.5488,-1.496,-2.2283;2.1611,-3.3307,-1.5681;2.306,-1.9772,1.1871;-1.2826,-2.6163,.0081;2.6586,-1.1852,2.1977;-2.9668,-.89,-.1027;-2.9859,.6098,.118;-3.4674,-1.2418,-1.4428;-2.0145,1.3819,-.5186;-3.9232,1.1988,.9624;-1.9532,2.746,-.2649;-3.876,2.5801,1.1688;-2.8898,3.3583,.5689;.2024,2.9387,-1.2632;1.0223,2.2911,-.3413;.5453,3.0199,-2.6067;2.2033,1.7005,-.7828;1.7388,2.4357,-3.0363;2.5649,1.7719,-2.1298;.7299,-.7542,.3437;.4161,-3.8479,.3869;.0615,-2.125,-2.9793;1.372,-.9635,-2.7124;-.1694,-.7567,-1.8801;1.7688,-3.9362,-2.3901;2.4876,-4.0101,-.7796;3.0344,-2.7842,-1.9377;2.9072,-2.8667,1.0385;-3.5833,-1.4064,.6362;-1.297,.9179,-1.1795;-4.6707,.5913,1.4586;-4.6001,3.0506,1.8235;-2.8282,4.4249,.748;.7214,2.2378,.6974;-.1183,3.5246,-3.2984;2.8384,1.181,-.0745;2.0132,2.4918,-4.0834;3.483,1.3076,-2.4704; oldchk=opt-b3lyp-pople.chk #P B3LYP 6-311+G(3df,2p) EmpiricalDispersion=gd3 scrf=(smd,Solvent=Wat 1/29=2,38=1,172=1/1 2/12=2,40=1/2 3/5=4,6=6,7=216,11=2,14=-4,25=1,30=1,70=32201,72=1,74=-5,116=-2,124=31/1,2,3 4/5=1/1 5/5=2,38=6,53=1/2 6/7=2,8=2,9=2,10=2,28=1/1 99/5=1,9=1/99 Single Point Cypermethrin-theta CONF41 water Redundant internal coordinates found in file. (old form). 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 35 35 16 16 16 14 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 34.9688527 34.9688527 15.9949146 15.9949146 15.9949146 14.0030740 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 3 3 0 0 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 14.2400000 14.2400000 5.6000000 5.6000000 5.6000000 4.5500000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 (Enter /usr/local/gaussian/gaussian16/g16/l101.exe) 6-311+G(3df,2p) (5D, 7F) 0.10000e-02 0.10000e-05 F 1447 A 1279 A 1279 1867 1447 108 108 2932.1804149201 47 47 47 1.00e+00 60 F IExCor= 402 DFT=T Ex+Corr=B3LYP ExCW=0 ScaHFX= 0.200000 ScaDFX= 0.800000 0.720000 1.000000 0.810000 ScalE2= 1.000000 1.000000 IRadAn= 5 IRanWt= -1 IRanGd= 0 ICorTp=0 IEmpDi=131 Grimme-D3 -0.0610536511 PCM SMD-Coulomb. Total charges None On-the-fly selection Water 78.355300 1.777849 0.000000 2.929728 0.000000 4.572387 6.474744 0.000000 6.067877 7.238990 2.254568 0.000000 5.543484 8.223421 4.966000 7.180104 0.000000 7.866062 9.761352 3.407747 3.627177 6.041189 0.000000 4.638659 5.292958 3.098549 3.594779 6.268664 5.236161 0.000000 3.178356 4.111652 2.813302 3.760868 5.821918 5.767904 1.510047 0.000000 4.416956 5.198728 2.353816 2.389105 6.575450 4.953447 1.536972 1.536373 0.000000 5.341715 6.470830 3.110899 4.006106 5.456662 4.431321 1.516614 2.589175 2.649821 0.000000 5.562115 5.448031 4.551692 4.570373 7.603751 6.378779 1.516620 2.625001 2.582528 2.530086 0.000000 2.733099 2.707852 4.119547 4.842588 6.747536 7.210752 2.616953 1.470867 2.593769 3.870884 3.073148 0.000000 4.990468 6.309015 1.352730 1.217567 6.235725 3.776067 2.641503 2.629680 1.474579 3.100104 3.854117 3.831062 0.000000 1.750858 1.753165 4.771120 5.760050 6.705253 8.049223 3.833891 2.489394 3.713200 4.912915 4.362572 1.331476 4.730298 0.000000 5.634041 7.780561 1.444292 2.726291 4.922263 2.626925 4.435287 4.249408 3.708442 4.152726 5.865184 5.536131 2.414332 6.084796 0.000000 5.432166 7.973197 2.367679 4.184336 3.687689 3.465380 5.191844 4.783640 4.694549 4.736451 6.697942 5.986636 3.649752 6.277549 1.516013 0.000000 6.847860 8.841547 2.385517 2.972811 5.434341 1.154119 4.711516 4.978678 4.240040 4.100182 6.004907 6.386624 2.960961 7.126268 1.473100 2.469050 0.000000 5.087195 7.689837 2.768021 4.894162 2.425946 3.948493 4.897308 4.533079 4.803753 4.216184 6.383280 5.732348 4.098653 5.983840 2.498308 1.394739 3.138315 0.000000 6.045482 8.715758 3.545617 5.108193 4.176400 4.377541 6.488754 5.927506 5.845344 6.118892 7.996118 6.995690 4.736841 7.108361 2.532166 1.392214 3.456732 2.422797 0.000000 5.361667 8.147541 4.071295 6.238604 1.387553 5.155089 6.001401 5.494382 6.004128 5.301848 7.453349 6.523620 5.410989 6.541224 3.778159 2.403545 4.425275 1.388835 2.789509 0.000000 6.309618 9.153608 4.646557 6.420494 3.654502 5.473244 7.365365 6.707994 6.881113 6.908996 8.881193 7.680281 5.922479 7.611662 3.805937 2.403908 4.647012 2.783562 1.397526 2.404253 0.000000 5.991763 8.887219 4.865932 6.909619 2.379197 5.815821 7.164047 6.526765 6.955951 6.573563 8.649868 7.472946 6.212293 7.353934 4.301687 2.786896 5.053810 2.419605 2.426163 1.395440 1.392139 0.000000 4.998609 7.405488 4.776526 6.948472 1.401082 6.141432 5.369277 5.015389 5.939871 4.551722 6.575356 5.881742 5.888952 5.917551 5.103893 4.182993 5.565636 2.809379 5.000106 2.383297 4.761989 3.618550 0.000000 3.691852 6.035706 4.452988 6.590841 2.422407 6.548526 4.706795 4.075380 5.235708 4.257584 5.865741 4.711904 5.432995 4.605303 5.107780 4.370793 5.818228 3.174913 5.229758 3.010995 5.133920 4.155872 1.393372 0.000000 6.063302 8.180137 5.488166 7.496936 2.395687 6.312819 5.606259 5.594101 6.449500 4.531751 6.634751 6.516397 6.476517 6.725402 5.821693 5.069772 5.968118 3.687213 6.001840 3.435264 5.830565 4.690217 1.388923 2.427051 0.000000 3.738308 5.465247 4.900491 6.804357 3.687152 7.072822 4.213365 3.735999 5.058015 3.878664 5.092264 4.173232 5.604638 4.173462 5.822686 5.378643 6.422569 4.238090 6.389957 4.317171 6.445233 5.524036 2.401625 1.392373 2.795802 0.000000 6.083706 7.759556 5.863043 7.692609 3.671472 6.868922 5.203076 5.351967 6.309771 4.186480 5.965289 6.134430 6.627146 6.430477 6.465912 5.967100 6.570125 4.640671 7.041065 4.626759 7.016338 5.938971 2.399433 2.792325 1.396522 2.415445 0.000000 5.066053 6.460644 5.595498 7.361348 4.174662 7.225887 4.496062 4.469600 5.638358 3.840989 5.149253 5.012368 6.215320 5.242161 6.464883 6.100430 6.778097 4.870215 7.210085 4.983951 7.281446 6.289109 2.773812 2.418276 2.421548 1.396494 1.394570 0.000000 2.747330 4.453656 2.401615 3.974623 4.785450 5.458245 2.188192 1.081874 2.206947 2.682956 3.513151 2.165919 2.762320 2.709787 3.726057 3.964649 4.587620 3.583034 5.084030 4.452030 5.745639 5.483098 4.061751 3.135040 4.794021 3.076586 4.755745 3.983284 0.000000 4.906563 5.147827 3.262666 2.608660 7.632612 5.682422 2.219159 2.250231 1.082626 3.519685 2.671090 2.777083 2.132136 3.924060 4.520322 5.613992 5.022008 5.837743 6.680511 7.036954 7.768752 7.930378 6.987649 6.211748 7.493036 5.945365 7.276739 6.521771 3.109961 0.000000 6.365325 7.389527 3.524992 3.930479 6.157602 4.016855 2.154954 3.459914 3.081097 1.094184 2.802355 4.734803 3.312516 5.867653 4.355602 5.134195 3.948963 4.760686 6.516346 5.929123 7.406086 7.167047 5.348530 5.233037 5.181086 4.903713 4.859653 4.708978 3.656316 3.798055 0.000000 5.522106 6.530008 4.044876 5.091390 5.427551 5.276883 2.142723 3.087623 3.530158 1.093380 2.745123 4.135940 4.144850 5.080729 5.063709 5.429373 5.010846 4.667147 6.798399 5.550462 7.427163 6.899787 4.323859 4.041934 4.069700 3.392845 3.434210 3.040552 3.129892 4.340420 1.771316 0.000000 5.050546 6.658258 2.435567 3.844272 4.508267 3.825880 2.181282 2.721816 2.850521 1.087979 3.486302 4.126132 2.874517 4.980932 3.317004 3.713837 3.362024 3.135560 5.098457 4.249651 5.845431 5.507306 3.764931 3.616212 3.911683 3.587671 3.894686 3.732594 2.398786 3.877885 1.770335 1.763903 0.000000 6.569649 6.511260 4.904317 4.590821 8.128886 6.153056 2.147023 3.503420 3.076536 2.732997 1.093680 4.113693 4.099346 5.422850 6.077653 7.040180 5.964458 6.789611 8.366934 7.938644 9.326980 9.146974 7.140631 6.598080 7.066267 5.877452 6.404645 5.769231 4.321874 3.090144 2.557802 3.016361 3.758511 0.000000 5.532174 4.952924 4.960355 4.714726 8.322787 7.056035 2.186516 2.826347 2.702838 3.489727 1.090871 2.834334 4.096069 4.107701 6.320140 7.218606 6.600373 7.029300 8.441824 8.101270 9.366042 9.220998 7.330899 6.484167 7.518775 5.717623 6.870302 5.938027 3.866844 2.382885 3.778628 3.776527 4.342313 1.765167 0.000000 5.650421 5.401602 5.236249 5.559188 7.584148 7.051732 2.151140 3.068462 3.463790 2.814569 1.094420 3.308435 4.738203 4.449619 6.555113 7.210336 6.700476 6.697886 8.525348 7.632645 9.283298 8.894265 6.420834 5.688226 6.350687 4.704964 5.489325 4.584248 3.825774 3.659285 3.218255 2.584333 3.791887 1.770148 1.772808 0.000000 3.699699 2.795376 4.867106 5.188935 7.739319 7.770477 2.850555 2.202260 2.922938 4.255879 2.750732 1.083868 4.321945 2.057403 6.301925 6.903770 7.030802 6.685708 7.949058 7.538234 8.700392 8.519115 6.805639 5.662142 7.315619 4.967056 6.788521 5.627761 3.112281 2.755588 4.979027 4.477561 4.736675 3.767615 2.188330 2.980021 0.000000 5.996413 8.049092 2.090331 2.616163 5.792069 3.145468 5.083921 4.789443 4.075494 5.028710 6.446733 5.942503 2.674223 6.438037 1.092143 2.165680 2.088743 3.401408 2.647382 4.551053 4.032585 4.815326 6.067892 5.986524 6.866871 6.719476 7.521484 7.453370 4.372000 4.692358 5.183976 5.997024 4.290552 6.648575 6.755706 7.233028 6.664897 0.000000 4.972410 7.338231 2.538949 4.630190 2.676230 3.761992 4.054968 3.909166 4.226779 3.214628 5.491817 5.192667 3.728415 5.610281 2.686304 2.152007 3.073128 1.080262 3.400509 2.146894 3.863804 3.398405 2.517730 2.822660 3.138367 3.608617 3.868706 4.067756 3.037141 5.301065 3.787403 3.607341 2.136920 5.867462 6.226406 5.748137 6.076019 3.731808 0.000000 6.595020 9.136670 3.890312 5.022230 5.259522 4.536360 6.965790 6.407992 6.121601 6.722603 8.439013 7.439464 4.885872 7.577670 2.745019 2.153098 3.636800 3.404377 1.083503 3.872769 2.161235 3.408706 6.055205 6.207980 7.044929 7.314818 8.042784 8.162374 5.676220 6.835998 7.033341 7.505250 5.764173 8.762312 8.799073 9.071757 8.340205 2.418586 4.295129 0.000000 7.031630 9.879775 5.588058 7.223377 4.520405 6.305184 8.381196 7.663538 7.811738 7.974923 9.896336 8.566068 6.812814 8.412520 4.680351 3.386974 5.511440 3.867164 2.151486 3.385333 1.083609 2.143359 5.709997 6.072417 6.789865 7.409613 8.011014 8.282566 6.713730 8.649571 8.460780 8.506053 6.916837 10.350467 10.337511 10.318713 9.591125 4.723114 4.947401 2.487162 0.000000 6.505744 9.422998 5.900801 7.976969 2.585883 6.822797 8.049133 7.364953 7.915405 7.437693 9.508242 8.218214 7.246686 7.979948 5.384311 3.870016 6.108970 3.394973 3.413642 2.147138 2.162893 1.083320 3.929114 4.534933 4.960644 5.923011 6.255762 6.663756 6.296485 8.893555 8.071251 7.658379 6.389405 10.044306 10.086617 9.672303 9.281501 5.881028 4.284724 4.312318 2.487003 0.000000 2.973837 5.622156 4.276475 6.436043 2.647016 6.721592 4.945883 4.021776 5.176205 4.746641 6.181711 4.529509 5.296565 4.209554 4.901688 4.090325 5.850989 3.113916 4.766765 2.887542 4.634191 3.783202 2.145856 1.082730 3.399968 2.162383 3.874863 3.407157 3.012794 6.101301 5.743539 4.722151 4.050184 6.981988 6.658592 6.124863 5.563250 5.640426 3.055988 5.689053 5.499752 4.169613 0.000000 7.046716 9.240395 6.038360 7.997949 2.605260 6.313629 6.390585 6.487809 7.199368 5.176519 7.428621 7.501077 7.070985 7.752463 6.149363 5.328382 6.113733 3.989206 6.167737 3.629726 5.913407 4.760742 2.142040 3.401041 1.083330 3.878894 2.168685 3.411364 5.682630 8.259591 5.661469 4.765214 4.510329 7.749187 8.361011 7.182753 8.295248 7.197353 3.560030 7.208141 6.822397 4.952530 4.281113 0.000000 3.050919 4.436160 5.073938 6.820072 4.563511 7.617969 4.071197 3.371812 4.845132 4.128823 4.800571 3.442257 5.604398 3.285466 6.163635 5.855423 6.892363 4.877283 6.840599 5.044232 6.970365 6.161623 3.383896 2.145135 3.879633 1.083872 3.399305 2.155951 2.892346 5.600996 5.203741 3.702454 4.007690 5.717721 5.250522 4.385559 4.198541 6.959719 4.288535 7.686631 7.901155 6.580942 2.488778 4.962654 0.000000 7.092379 8.583347 6.648732 8.334564 4.540969 7.280981 5.760427 6.125357 6.987401 4.635572 6.344309 6.916321 7.327732 7.306804 7.216857 6.796007 7.137879 5.491995 7.897636 5.511576 7.891533 6.814215 3.381187 3.876297 2.148122 3.399468 1.083977 2.153916 5.637633 7.920023 5.132573 3.772284 4.491192 6.651843 7.308572 5.786509 7.466397 8.294078 4.676239 8.888201 8.884781 7.107618 4.958799 2.495219 4.297734 0.000000 5.486075 6.386094 6.222930 7.781522 5.258339 7.870060 4.577101 4.698122 5.874933 4.065475 4.906671 5.054881 6.652146 5.355798 7.213560 7.002424 7.474151 5.834151 8.163758 6.040268 8.307690 7.352149 3.857474 3.399311 3.403035 2.153992 2.152923 1.083695 4.444068 6.644521 4.873238 3.110158 4.236694 5.517506 5.668119 4.150689 5.483493 8.182250 4.966534 9.079237 9.317266 7.739907 4.304231 4.309296 2.484306 2.482856 0.000000 C22H19Cl2NO3 C1 1 C1 1 C1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 397.1462999999997 AuxInfo=1/0/N:7;8;9;10;11;12;13;14;15;16;17;18;19;20;21;22;23;24;25;26;27;28;1;2;6;3;4;5;29;30;31;32;33;34;35;36;37;38;39;40;41;42;43;44;45;46;47/rA:47nCl0Cl0O0O0O0N0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:2.182,-1.1912,-2.1006;5.0566,-.7366,-1.7642;-.6784,1.8817,-.2889;-.1023,4.0503,-.0688;-2.7584,-2.6203,-.0317;-3.2532,3.199,1.5133;1.6837,1.4615,1.672;1.8842,.8775,.2939;1.5088,2.3604,.4376;.4747,.9993,2.4624;2.8793,1.7814,2.5485;3.2097,.5213,-.2348;.1943,2.8719,.0078;3.4367,-.3464,-1.2189;-2.0475,2.2167,-.6038;-2.7082,.9253,-1.0444;-2.708,2.7785,.5871;-2.4736,-.2252,-.2916;-3.4977,.8779,-2.1901;-2.9933,-1.4393,-.7213;-4.052,-.344,-2.5813;-3.7966,-1.5071,-1.8602;-1.6206,-2.6764,.7839;-.3517,-2.5291,.2276;-1.7939,-2.9106,2.142;.7644,-2.6041,1.0568;-.6671,-2.9973,2.9622;.61,-2.8391,2.4247;1.0689,.2523,-.045;2.2958,3.0898,.2941;.1398,1.7916,3.1387;.7486,.1298,3.0661;-.3601,.715,1.8253;2.5894,2.5064,3.3144;3.7159,2.2031,1.9897;3.2234,.8742,3.0547;4.0815,.9931,.2034;-2.0799,2.9678,-1.396;-1.8674,-.1774,.6013;-3.67,1.7746,-2.7734;-4.6686,-.3939,-3.471;-4.1978,-2.4632,-2.1742;-.2516,-2.3384,-.8335;-2.7949,-3.0131,2.5435;1.7539,-2.4745,.634;-.7929,-3.1773,4.0237;1.4808,-2.893,3.0675; 0.1791172 0.1256140 0.1072624 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= 1279 RedAO= T EigKep= 1.01D-06 NBF= 1279 NBsUse= 1274 1.00D-06 EigRej= 8.48D-07 NBFU= 1274 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= 1433 1433 1433 1433 1433 MxSgAt= 47 MxSgA2= 47. 1 Closed 1 1 1 -2050.96582738562 -2051.04854635599 -0.082718970370 -2051.04827985915 0.000266496842 -2051.04906555511 -0.000785695966 -2051.04911119935 -0.000045644235 -2051.04911568585 -0.000004486504 -2051.04911677121 -0.000001085359 -2051.04911685858 -0.000000087370 -2051.04911687240 -0.000000013826 -2051.04911687285 -0.000000000442 -2051.04911687319 -0.000000000346 -2051.04911687323 -0.000000000038 -2051.04911687 12 2.043597580648e+03 -1.068202398872e+04 3.655241175775e+03 Using DIIS extrapolation, IDIIS= 1040. NGot= 1415577600 LenX= 1411365380 LenY= 1409270124 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. PT40046.100S 2024-10-10T05:42:02.000 -101.57191 -101.57080 -19.19138 -19.17200 -19.13144 -14.33374 -10.32266 -10.28963 -10.28658 -10.24720 -10.23896 -10.23409 -10.20795 -10.20499 -10.19999 -10.19847 -10.19810 -10.18457 -10.18260 -10.18165 -10.18158 -10.17954 -10.17918 -10.17830 -10.17818 -10.17464 -10.15912 -10.15626 -9.48649 -9.48509 -7.25050 -7.24921 -7.24161 -7.24130 -7.24015 -7.23995 -1.13005 -1.08345 -1.04135 -0.93144 -0.92062 -0.89340 -0.87798 -0.86105 -0.84156 -0.81463 -0.77263 -0.76825 -0.75590 -0.75146 -0.73819 -0.72541 -0.69260 -0.67156 -0.64430 -0.62439 -0.61935 -0.61254 -0.59339 -0.58041 -0.55898 -0.55074 -0.54469 -0.51972 -0.50886 -0.50499 -0.49356 -0.48763 -0.48394 -0.47949 -0.47706 -0.46056 -0.45720 -0.44698 -0.44366 -0.43562 -0.43205 -0.42605 -0.42037 -0.41609 -0.41182 -0.40494 -0.40101 -0.39692 -0.39190 -0.38579 -0.38099 -0.37931 -0.37463 -0.37071 -0.36625 -0.36271 -0.35667 -0.35162 -0.34789 -0.34337 -0.33868 -0.33767 -0.33541 -0.33309 -0.32182 -0.30865 -0.28871 -0.27183 -0.26445 -0.26176 -0.24671 -0.23748 -0.04417 -0.03666 -0.02572 -0.02150 -0.02075 -0.01380 -0.01018 0.00011 0.00075 0.00793 0.01347 0.01469 0.01703 0.01982 0.02645 0.03192 0.03393 0.03543 0.03752 0.04288 0.04582 0.05169 0.05276 0.05545 0.06033 0.06450 0.06558 0.06985 0.07179 0.07618 0.08048 0.08243 0.08599 0.08950 0.09259 0.09545 0.09663 0.09860 0.10113 0.10362 0.10663 0.10936 0.11104 0.11431 0.11734 0.11843 0.12030 0.12276 0.12476 0.12738 0.13277 0.13445 0.13605 0.13926 0.14044 0.14345 0.14462 0.15005 0.15131 0.15414 0.15642 0.15777 0.16122 0.16267 0.16339 0.16596 0.16981 0.17270 0.17629 0.17829 0.18009 0.18223 0.18439 0.18639 0.18958 0.19115 0.19200 0.19492 0.19781 0.19951 0.20205 0.20579 0.20829 0.20990 0.21187 0.21432 0.21605 0.21801 0.22021 0.22158 0.22322 0.22494 0.22665 0.22773 0.22814 0.23218 0.23298 0.23654 0.23910 0.23963 0.24156 0.24599 0.24750 0.24951 0.25018 0.25213 0.25498 0.25682 0.25995 0.26188 0.26301 0.26453 0.26857 0.26993 0.27076 0.27653 0.27826 0.28040 0.28277 0.28509 0.28616 0.28878 0.29487 0.29624 0.29851 0.29923 0.30376 0.30617 0.30687 0.31125 0.31396 0.31775 0.31873 0.32108 0.32472 0.32685 0.32927 0.32941 0.33262 0.33692 0.33862 0.34076 0.34480 0.34547 0.34905 0.35250 0.35361 0.35871 0.36142 0.36303 0.36485 0.36967 0.37151 0.37563 0.37949 0.38136 0.38468 0.38564 0.38770 0.39084 0.39303 0.39646 0.40241 0.40287 0.40396 0.41143 0.41500 0.42113 0.42186 0.42400 0.42766 0.43290 0.43434 0.44005 0.44305 0.44615 0.44964 0.45242 0.45599 0.45821 0.46016 0.46427 0.46777 0.47139 0.47401 0.47761 0.48172 0.48461 0.48706 0.49129 0.49472 0.49606 0.49982 0.50391 0.50552 0.50957 0.51386 0.51657 0.52098 0.52427 0.52949 0.53120 0.53553 0.53711 0.54178 0.54256 0.54658 0.54936 0.55347 0.55838 0.56135 0.56407 0.56551 0.56794 0.57007 0.57314 0.57459 0.57560 0.57856 0.58266 0.58433 0.58756 0.58943 0.59267 0.59644 0.59769 0.60008 0.60414 0.60697 0.60946 0.61353 0.61618 0.61757 0.62018 0.62176 0.62437 0.62765 0.62930 0.63303 0.63596 0.64074 0.64527 0.64720 0.65250 0.65270 0.65579 0.65810 0.65976 0.66529 0.66589 0.67084 0.67667 0.67769 0.68051 0.68503 0.68766 0.69226 0.69461 0.70079 0.70215 0.70429 0.70910 0.71540 0.71793 0.72470 0.72776 0.73281 0.73458 0.73772 0.74262 0.74327 0.74577 0.75018 0.75529 0.75797 0.76231 0.76303 0.76596 0.76963 0.77456 0.77704 0.78078 0.78483 0.78838 0.79704 0.80003 0.80386 0.80594 0.81334 0.81630 0.81995 0.82306 0.82582 0.82728 0.83043 0.83578 0.84258 0.84644 0.85072 0.85654 0.86208 0.86776 0.87122 0.87235 0.87672 0.87774 0.88687 0.89309 0.89938 0.90627 0.90899 0.91214 0.91396 0.92008 0.92730 0.92848 0.93066 0.93802 0.94008 0.94757 0.94815 0.96097 0.96546 0.97449 0.97582 0.98001 0.99167 0.99215 0.99760 0.99894 1.00298 1.00625 1.00762 1.01706 1.02582 1.02651 1.02938 1.03463 1.05185 1.05355 1.05895 1.06363 1.06547 1.07101 1.07368 1.07872 1.08216 1.08753 1.09175 1.09473 1.10082 1.10323 1.11194 1.11748 1.12251 1.12714 1.12945 1.13099 1.13446 1.13706 1.13898 1.14719 1.14876 1.15024 1.15558 1.15988 1.16061 1.16820 1.17209 1.17528 1.17739 1.18001 1.18304 1.18596 1.19018 1.19624 1.20089 1.20320 1.20714 1.21118 1.21393 1.21831 1.22040 1.22349 1.22939 1.23304 1.23993 1.24174 1.24464 1.24672 1.24743 1.24855 1.25524 1.25801 1.26013 1.26464 1.26687 1.27127 1.27368 1.28164 1.28470 1.29008 1.29092 1.29664 1.29894 1.30382 1.31037 1.31264 1.31416 1.31943 1.32087 1.32622 1.32892 1.33313 1.33569 1.33807 1.34402 1.34814 1.35178 1.35639 1.36007 1.36364 1.36547 1.37205 1.37690 1.37982 1.38208 1.38711 1.38814 1.39201 1.39692 1.39931 1.40542 1.40827 1.40954 1.41519 1.41969 1.42208 1.42669 1.42907 1.43401 1.43781 1.44070 1.44577 1.45045 1.45093 1.45417 1.45937 1.46236 1.46357 1.46840 1.47575 1.47892 1.47990 1.48602 1.48902 1.49162 1.49608 1.50363 1.50672 1.51572 1.51970 1.52023 1.52662 1.53241 1.53435 1.54367 1.55049 1.55460 1.55909 1.56331 1.56583 1.57204 1.58082 1.58335 1.58656 1.60102 1.60477 1.60778 1.61538 1.61647 1.61762 1.62879 1.63841 1.64277 1.64542 1.65434 1.65532 1.65983 1.66199 1.67009 1.67981 1.68169 1.69094 1.69764 1.69838 1.70585 1.70666 1.71574 1.72699 1.72748 1.73503 1.73900 1.75503 1.75578 1.75965 1.76513 1.77410 1.78038 1.79211 1.79288 1.80519 1.81652 1.82275 1.83432 1.83889 1.84575 1.85161 1.86460 1.86512 1.87153 1.87308 1.88149 1.88880 1.89722 1.90007 1.90918 1.91515 1.92290 1.93743 1.94127 1.94581 1.94903 1.95622 1.96112 1.96935 1.97388 1.97721 1.98552 1.99333 2.00140 2.00717 2.01136 2.02103 2.02730 2.03701 2.04750 2.05410 2.05813 2.06454 2.06650 2.07419 2.07628 2.07942 2.08560 2.09028 2.09597 2.09880 2.10468 2.11277 2.12090 2.12305 2.13480 2.13985 2.14401 2.15118 2.15892 2.16765 2.16848 2.17789 2.18332 2.18625 2.20094 2.20612 2.21169 2.21592 2.21718 2.22453 2.24085 2.25163 2.26207 2.27287 2.27477 2.28257 2.28814 2.29994 2.31422 2.32524 2.33435 2.35580 2.35751 2.36966 2.37336 2.37753 2.38492 2.39074 2.39917 2.40105 2.40911 2.41521 2.41965 2.43011 2.43187 2.44258 2.44726 2.44964 2.46395 2.46677 2.48136 2.48461 2.49398 2.49900 2.50679 2.51382 2.52435 2.54245 2.55172 2.55239 2.56530 2.57229 2.58892 2.60894 2.61230 2.62096 2.63501 2.64282 2.65150 2.65750 2.67588 2.69549 2.71145 2.71909 2.72447 2.74487 2.75262 2.76569 2.77012 2.78673 2.79065 2.79979 2.80190 2.80882 2.81597 2.81871 2.82114 2.82705 2.84062 2.84402 2.85154 2.85729 2.86126 2.86611 2.87485 2.88043 2.88731 2.89496 2.89624 2.90131 2.90523 2.91005 2.91946 2.92378 2.92472 2.93132 2.93906 2.94407 2.95083 2.95513 2.95840 2.96380 2.96485 2.97279 2.97495 2.98069 2.98739 3.00292 3.00561 3.01009 3.01629 3.02115 3.02846 3.02950 3.03406 3.04633 3.04947 3.05099 3.05358 3.06828 3.07517 3.07633 3.08210 3.08491 3.09280 3.10305 3.10831 3.11255 3.11965 3.12556 3.13309 3.14233 3.14413 3.15161 3.16551 3.17122 3.17685 3.18209 3.19033 3.19449 3.20027 3.21332 3.21684 3.22993 3.23099 3.23618 3.24825 3.25304 3.25494 3.26763 3.27256 3.27561 3.28084 3.28581 3.29176 3.29710 3.30397 3.30669 3.30980 3.31999 3.32254 3.32629 3.33157 3.33259 3.33836 3.34244 3.35055 3.35945 3.37324 3.37873 3.38080 3.38726 3.39944 3.40520 3.41354 3.42141 3.42434 3.42625 3.43299 3.44261 3.44471 3.45768 3.46123 3.46581 3.47120 3.47651 3.48906 3.49385 3.50526 3.50733 3.51322 3.52676 3.53350 3.54526 3.54697 3.55198 3.56411 3.57434 3.58112 3.58770 3.58986 3.59520 3.60273 3.60473 3.61555 3.61923 3.62485 3.63763 3.63897 3.64923 3.65626 3.65946 3.66188 3.67044 3.68174 3.68859 3.69348 3.69972 3.70194 3.71802 3.72211 3.72343 3.73494 3.74397 3.74877 3.75202 3.76408 3.78079 3.78606 3.78880 3.80295 3.80519 3.80912 3.81906 3.82331 3.82841 3.83323 3.85752 3.86274 3.86556 3.87770 3.88361 3.89766 3.91280 3.91926 3.92969 3.93398 3.94769 3.97035 3.99224 3.99707 4.01102 4.01851 4.02402 4.02785 4.04477 4.06655 4.07900 4.08988 4.11292 4.12861 4.13912 4.16494 4.18085 4.18986 4.20013 4.20541 4.20832 4.22139 4.22518 4.23134 4.23648 4.24733 4.26383 4.27453 4.27665 4.28543 4.30047 4.31131 4.31669 4.32289 4.33306 4.33984 4.34361 4.35185 4.35532 4.35803 4.36459 4.37520 4.38081 4.38596 4.38726 4.39281 4.40079 4.40563 4.41158 4.42236 4.42835 4.43664 4.44288 4.44975 4.45821 4.46240 4.46716 4.47792 4.48589 4.49116 4.50028 4.50118 4.50810 4.51693 4.51913 4.52473 4.54120 4.54561 4.55119 4.55980 4.56627 4.57132 4.57684 4.58787 4.59174 4.60607 4.61711 4.62094 4.62372 4.63002 4.63807 4.64587 4.65928 4.67053 4.70664 4.71270 4.72913 4.75034 4.75813 4.76803 4.77269 4.77359 4.79119 4.81859 4.82834 4.83751 4.85345 4.86118 4.87346 4.89391 4.91372 4.91763 4.95294 4.95836 4.99016 5.00355 5.02442 5.04028 5.07632 5.09272 5.13554 5.15025 5.17252 5.17911 5.18407 5.19716 5.22952 5.23721 5.25143 5.25169 5.25769 5.26093 5.28409 5.29711 5.32964 5.33351 5.34895 5.35870 5.38132 5.41388 5.43762 5.45702 5.46315 5.48627 5.50659 5.53044 5.53954 5.56564 5.57890 5.59472 5.60821 5.62187 5.63925 5.65729 5.67564 5.69200 5.71254 5.73467 5.77195 5.77342 5.77604 5.80883 5.81588 5.82896 5.83797 5.86112 5.86347 5.88927 5.91284 5.91740 5.92354 5.94269 5.94819 5.96146 5.98238 5.99224 5.99869 6.01013 6.01800 6.02164 6.11249 6.14348 6.21469 6.24667 6.26970 6.33273 6.45574 6.50421 6.60023 6.65671 6.68795 6.75610 6.80044 6.92550 7.08810 7.09502 7.10175 7.10471 7.11161 7.11767 7.13702 7.14152 7.16695 7.17601 7.18091 7.20171 7.20650 7.21932 7.22604 7.23416 7.26117 7.26392 7.27425 7.28600 7.29384 7.31002 7.31397 7.31832 7.32529 7.32705 7.33840 7.34392 7.35758 7.36379 7.37730 7.38211 7.39865 7.41477 7.43256 7.44544 7.45333 7.45670 7.45899 7.46665 7.47451 7.48600 7.50629 7.51354 7.51632 7.53653 7.56628 7.57256 7.58757 7.61187 7.62749 7.63554 7.63838 7.65020 7.66326 7.67806 7.69273 7.70876 7.71196 7.72031 7.75473 7.79292 7.82106 7.84070 7.86650 7.87000 7.88762 7.91402 7.92011 7.95128 7.95371 7.95816 7.97172 7.97235 7.97681 7.98120 8.02185 8.02576 8.03049 8.06618 8.07402 8.11119 8.12275 8.12998 8.13758 8.17542 8.19469 8.23064 8.24288 8.27144 8.28839 8.29680 8.30392 8.31475 8.35445 8.37977 8.42476 8.46734 8.47394 8.50670 8.52199 8.57234 8.60247 8.62031 8.71612 8.72476 8.74754 8.90377 9.04341 9.38525 9.39778 10.01695 10.08532 10.20703 10.21046 10.88537 10.89343 11.19278 14.40104 14.44283 14.46975 14.47910 14.50126 14.51190 14.59012 14.62873 14.68043 14.80710 14.98000 15.03207 15.11303 15.11953 15.24160 23.97759 24.08112 24.10954 24.35104 24.46930 24.58184 24.60777 24.65619 24.77082 24.96569 24.97460 24.98324 24.99155 25.13317 25.25053 25.38840 25.39748 25.40441 25.41411 25.71415 25.80470 25.81177 25.96682 26.18919 26.58292 26.83323 27.79449 28.29355 37.00886 50.26683 50.29391 50.48497 216.03588 216.11973 1-A. Mulliken charges: 1 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 Cl Cl O O O N C C C C C C C C C C C C C C C C C C C C C C H H H H H H H H H H H H H H H H H H H -0.419434 -0.372275 -0.309628 -0.819212 -0.855514 -1.195840 -0.084931 0.893369 -0.572327 -0.614035 -0.429983 0.457157 0.779024 -0.403951 0.493534 1.029819 0.745444 -0.651960 -0.812082 0.378157 -0.047416 -0.303423 0.322016 -0.059077 -0.396978 0.214501 -0.125689 -0.357600 0.281364 0.153955 0.162880 0.180202 0.273566 0.155044 0.166435 0.161413 0.177864 0.187301 0.288076 0.164441 0.158830 0.161504 0.182326 0.163555 0.188677 0.158251 0.152647 -0.00000 2.9840 -2.8796 -0.3638 4.1628 -179.8132 -209.4446 -167.3352 15.7234 28.0623 -13.8181 5.7178 -23.9136 18.1959 15.7234 28.0623 -13.8181 59.4753 -96.5972 -1.4462 61.4241 -8.2772 -43.6064 -17.7989 -24.6537 -38.7450 42.4975 -7743.8398 -5529.6851 -2893.2581 271.9377 341.4195 153.9518 -95.2728 122.8677 -110.3575 -2137.6149 -1682.7257 -1233.1649 -127.0758 154.2973 88.3448 (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A) (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(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-CIBELES05 APULGAR 2024-10-10T00:00:00.000 0 Single Point Cypermethrin-thetaCONF41 water 0 1 Version=EM64L-G16RevC.01 State=1-A HF=-2051.0491169 RMSD=4.373e-09 Dipole=1.492595,0.4448835,0.506475 Quadrupole=1.9585222,-2.1390268,0.1805046,-19.0986112,-23.7378908,-1.9009179 PG=C01 [X(C22H19Cl2N1O3)] 0 1.807975687 0.2764615882 2.6509608026 0 4.0384461648 -1.5355961097 3.2208308131 0 -1.5873813124 -1.2984388572 0.0245627785 0 -2.1353993774 -3.484986254 -0.0174543334 0 -0.9834791725 3.5540764024 -0.8412066013 0 -3.8744585571 -1.4861726072 -2.4947170692 0 1.0987403546 -2.352814339 -1.104176141 0 1.1809008031 -1.7348531772 0.2711844176 0 0.1711519396 -2.8629836061 0.0100907273 0 0.5488338825 -1.4959960311 -2.2282682469 0 2.1610991048 -3.3307062483 -1.5681347597 0 2.3060231787 -1.9771555114 1.1870666142 0 -1.2826447384 -2.6162940147 0.0080828848 0 2.6585946571 -1.1852125232 2.1976840001 0 -2.9668483406 -0.8899753461 -0.102745088 0 -2.9859419421 0.609752949 0.1180381847 0 -3.4673710148 -1.2418016543 -1.4427889298 0 -2.0145003001 1.3819489456 -0.5186023698 0 -3.9231669833 1.1987520593 0.9624019096 0 -1.953167185 2.7460432798 -0.2649339075 0 -3.8759981527 2.5801458647 1.1688127856 0 -2.8897568132 3.3582584961 0.5688790029 0 0.2023996257 2.9387278854 -1.2631876165 0 1.0222823567 2.2911160771 -0.3412998896 0 0.5452940198 3.0199276073 -2.6066675617 0 2.2033359476 1.7004614065 -0.7828212104 0 1.7387500654 2.4356512546 -3.0362695516 0 2.5649087374 1.771869219 -2.1298032358 0 0.7298686163 -0.7541600095 0.3437269627 0 0.4160508288 -3.8479465419 0.3868567824 0 0.0615449491 -2.1250470492 -2.979322972 0 1.3719621384 -0.9635245639 -2.7124315695 0 -0.1694038135 -0.7566570675 -1.8801155419 0 1.7687957628 -3.9362391106 -2.3900614244 0 2.4875965557 -4.0100899257 -0.7795691328 0 3.0343516626 -2.7842295375 -1.9376590373 0 2.9071917375 -2.8667036145 1.0385056179 0 -3.5833009036 -1.4063842846 0.6362301752 0 -1.2969979425 0.9178933294 -1.1795175243 0 -4.6707102559 0.591325721 1.4585781886 0 -4.6001031772 3.0505599865 1.8234812472 0 -2.8281789176 4.4248928679 0.7479927989 0 0.7214255771 2.2377885152 0.697423185 0 -0.1183287775 3.5245581442 -3.2984450791 0 2.8383644454 1.1810393339 -0.0745009944 0 2.0131853937 2.4918091221 -4.0834260698 0 3.4829880116 1.3076113617 -2.4703754632