Gaussian 16 GINC-HAMILTON25 APULGAR Optimization Cypermethrin CONF15 water EM64L-G16RevC.01 7-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:-3.024,-.9887,2.0737;-4.8101,-.4742,-.1311;1.705,-1.4499,.2164;2.1615,-1.6671,-1.9563;1.1678,3.5619,-.498;3.3607,-.918,3.017;-.5996,-3.442,-.5621;-1.0642,-2.0815,-.1199;-.0204,-2.1988,-1.2087;.219,-4.256,.4084;-1.4922,-4.2853,-1.4385;-2.3897,-1.5609,-.4829;1.3774,-1.7604,-1.0443;-3.2754,-1.071,.3745;3.0031,-.9167,.4283;3.1418,.4981,-.0906;3.186,-.9314,1.8803;2.0504,1.3576,-.0275;4.3593,.9232,-.5948;2.1872,2.6554,-.4979;4.484,2.2329,-1.0423;3.4069,3.0997,-1.0018;-.0741,3.1553,-.0491;-.9899,2.6469,-.9568;-.3877,3.2849,1.2944;-2.2476,2.2684,-.5068;-1.6477,2.9011,1.7328;-2.5786,2.3938,.8359;-.6985,-1.7789,.854;-.3663,-2.0273,-2.2223;.7822,-3.6497,1.1148;.9218,-4.8989,-.1242;-.4414,-4.9014,.9896;-.9036,-5.0456,-1.9541;-2.0147,-3.7038,-2.1969;-2.2408,-4.7992,-.8331;-2.6718,-1.5721,-1.529;3.7762,-1.5578,-.0077;1.1082,1.0118,.3776;5.2,.2432,-.6431;5.4292,2.5787,-1.4386;3.503,4.116,-1.3619;-.725,2.5511,-2.0022;.3439,3.6788,1.9885;-2.9692,1.8749,-1.2107;-1.9002,2.9994,2.7802;-3.5596,2.0996,1.1835; g16 /usr/local/gaussian/gaussian16/g16/l1.exe "/temporal/apulgar/opt-b3lyp-pople.com-6499878/Gau-3080095.inp" -scrdir="/temporal/apulgar/opt-b3lyp-pople.com-6499878/" 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 CONF15 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 1.7197 1.7225 1.3391 1.4192 1.2063 1.3641 1.3818 1.1501 1.5041 1.5163 1.5082 1.5086 1.5129 1.4695 1.0835 1.4742 1.0846 1.088 1.0913 1.0911 1.091 1.0892 1.0913 1.3265 1.0836 1.5134 1.4636 1.0949 1.3906 1.3846 1.3873 1.0823 1.3896 1.0824 1.3925 1.3831 1.0817 1.0825 1.386 1.3857 1.3884 1.0826 1.3881 1.0827 1.3886 1.0821 1.3886 1.0819 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 47 116.8347 118.4338 117.8155 119.5804 120.6373 115.8911 113.1566 121.7642 114.3727 118.1645 115.8282 115.3108 123.9531 113.9717 123.4329 116.1186 111.0739 113.4535 110.6938 109.4836 108.1645 107.2854 107.5388 110.1723 112.9449 110.2975 107.5644 107.704 107.9741 124.9909 118.0151 116.9938 122.3292 113.948 123.7154 113.8098 123.965 122.2199 112.5758 104.9873 111.4954 109.7565 110.2537 107.5169 119.3636 119.5006 121.1231 119.0427 120.1847 120.7714 119.0461 120.417 120.5364 123.2307 116.2698 120.4994 120.7503 119.8488 119.3967 119.5255 119.8465 120.6274 119.2794 119.3939 121.3173 119.0942 120.2083 120.6972 119.0582 120.176 120.7658 120.3108 119.4957 120.1935 120.3676 119.5022 120.1302 119.8511 120.1525 119.9963 estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2 A81 A82 6 6 17 17 15 15 1 1 -1 -2 181.5735 estimate D2E/DX2|estimate D2E/DX2 178.764 D1 D2 D3 D4 D5 D6 D7 D8 D9 D10 D11 D12 D13 D14 D15 D16 D17 D18 D19 D20 D21 D22 D23 D24 D25 D26 D27 D28 D29 D30 D31 D32 D33 D34 D35 D36 D37 D38 D39 D40 D41 D42 D43 D44 D45 D46 D47 D48 D49 D50 D51 D52 D53 D54 D55 D56 D57 D58 D59 D60 D61 D62 D63 D64 D65 D66 D67 D68 D69 D70 D71 D72 D73 D74 D75 D76 D77 D78 D79 D80 D81 D82 D83 D84 D85 D86 D87 D88 D89 D90 D91 D92 D93 D94 D95 D96 D97 D98 D99 D100 D101 D102 D103 D104 D105 D106 D107 D108 D109 15 15 13 13 13 23 23 20 20 10 10 11 11 10 10 11 11 8 8 8 9 9 9 11 11 11 8 8 8 9 9 9 10 10 10 12 12 29 29 7 7 9 9 29 29 7 7 8 8 30 30 8 8 37 37 3 3 17 17 38 38 15 15 19 19 15 15 18 18 16 16 39 39 16 16 40 40 5 5 18 18 19 19 41 41 5 5 25 25 5 5 24 24 23 23 43 43 23 23 44 44 24 24 45 45 25 25 46 46 3 3 3 3 3 5 5 5 5 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 8 8 8 8 8 8 8 8 8 8 9 9 9 9 9 9 12 12 12 12 15 15 15 15 15 15 16 16 16 16 16 16 16 16 18 18 18 18 19 19 19 19 20 20 20 20 21 21 21 21 23 23 23 23 23 23 23 23 24 24 24 24 25 25 25 25 26 26 26 26 27 27 27 27 13 13 15 15 15 20 20 23 23 8 8 8 8 9 9 9 9 10 10 10 10 10 10 10 10 10 11 11 11 11 11 11 11 11 11 9 9 9 9 12 12 12 12 12 12 13 13 13 13 13 13 14 14 14 14 16 16 16 16 16 16 18 18 18 18 19 19 19 19 20 20 20 20 21 21 21 21 22 22 22 22 22 22 22 22 24 24 24 24 25 25 25 25 26 26 26 26 27 27 27 27 28 28 28 28 28 28 28 28 4 9 16 17 38 18 22 24 25 12 29 12 29 13 30 13 30 31 32 33 31 32 33 31 32 33 34 35 36 34 35 36 34 35 36 13 30 13 30 14 37 14 37 14 37 3 4 3 4 3 4 1 2 1 2 18 19 18 19 18 19 20 39 20 39 21 40 21 40 5 22 5 22 22 41 22 41 21 42 21 42 20 42 20 42 26 43 26 43 27 44 27 44 28 45 28 45 28 46 28 46 27 47 27 47 26 47 26 47 4.0214 -175.0229 71.8315 -168.8101 -52.6865 -2.2337 177.8808 -91.2825 89.8172 -142.1817 4.1799 1.9854 148.347 5.4333 146.1281 -137.271 3.4237 -27.345 -149.1575 92.4605 42.6398 -79.1727 162.4453 -173.7215 64.466 -53.916 159.7116 39.4037 -81.5179 90.8942 -29.4137 -150.3353 -54.5624 -174.8703 64.2081 134.6844 -8.7875 -8.2471 -151.719 127.9643 -52.2088 -161.2246 18.6023 -18.1067 161.7202 -62.9604 118.0104 10.3194 -168.7097 155.3777 -23.6514 -1.0805 179.8175 179.091 -0.011 34.0028 -147.2811 -82.5428 96.1732 159.2007 -22.0833 179.632 -0.7663 0.9374 -179.4609 -178.6384 1.6086 0.0544 -179.6986 178.8688 -1.2504 -0.7304 179.1504 -0.7514 179.9919 179.0012 -0.2555 -179.5371 0.1698 0.5741 -179.719 0.4413 -179.2632 179.7013 -0.0032 -178.5172 1.2759 0.3613 -179.8456 178.6219 -1.4922 -0.2554 179.6306 -0.2564 179.7237 179.9516 -0.0683 0.0437 -179.9875 -179.8416 0.1272 0.0517 179.9103 -179.9282 -0.0697 0.056 -179.8028 -179.9126 0.2286 estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|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 2929.8696540633 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= 1.07D-06 NBF= 746 NBsUse= 743 1.00D-06 EigRej= 9.50D-07 NBFU= 743 Berny optimization. local minimum Step number 102 out of a maximum of 250 All quantities printed in internal units (Hartrees-Bohrs-Radians) 0.00037 0.00110 0.00158 0.00220 0.00425 0.00627 0.01123 0.01485 0.01595 0.01860 0.01930 0.02009 0.02046 0.02110 0.02129 0.02155 0.02195 0.02238 0.02249 0.02255 0.02263 0.02270 0.02272 0.02300 0.02354 0.02392 0.02446 0.02553 0.02937 0.02990 0.03327 0.03847 0.04133 0.04336 0.05077 0.05546 0.05585 0.05910 0.05916 0.06094 0.07026 0.07344 0.07688 0.08814 0.09276 0.09614 0.10787 0.11204 0.12766 0.14285 0.14625 0.15395 0.15598 0.15710 0.15810 0.15945 0.15976 0.15995 0.16014 0.16041 0.16043 0.16084 0.16125 0.16188 0.16275 0.16542 0.17019 0.18796 0.19628 0.20478 0.21261 0.21488 0.22082 0.22514 0.23041 0.23153 0.23759 0.24065 0.24521 0.24735 0.25545 0.26127 0.27227 0.28073 0.28463 0.29467 0.30517 0.31006 0.31593 0.32546 0.32733 0.33737 0.34230 0.34488 0.34666 0.34686 0.34713 0.34757 0.34873 0.35021 0.35297 0.35524 0.35603 0.35655 0.35688 0.35708 0.35739 0.35787 0.35801 0.35856 0.35882 0.36222 0.36854 0.37761 0.39288 0.40716 0.42875 0.43132 0.43767 0.44548 0.44970 0.47014 0.47548 0.47783 0.48089 0.48601 0.48953 0.51548 0.54370 0.55350 0.60655 0.65519 0.81956 1.13641 2.29372 -1.14469044e-06 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 3.30444 3.31210 2.56069 2.73027 2.29996 2.62308 2.63477 2.18038 2.86025 2.89784 2.86571 2.86707 2.89840 2.77845 2.04485 2.78347 2.04596 2.05791 2.06820 2.06745 2.06699 2.06123 2.06796 2.51556 2.04845 2.87210 2.77259 2.06437 2.63453 2.63453 2.62893 2.04558 2.63498 2.04774 2.63285 2.63175 2.04753 2.04695 2.63557 2.63160 2.63499 2.04576 2.63377 2.04751 2.63575 2.04803 2.63550 2.04861 2.04589 2.03469 2.10100 2.05269 2.09656 2.10429 2.01729 1.97319 2.13745 1.99267 2.07147 1.99092 2.01800 2.16278 2.00168 2.13039 2.03767 1.94298 1.96938 1.92358 1.90400 1.89288 1.88852 1.88329 1.91370 1.97061 1.91802 1.88331 1.88465 1.89132 2.18797 2.05946 2.03574 2.13462 1.98158 2.16696 1.98435 2.16968 2.12913 1.95342 1.83081 1.91872 1.94784 1.92531 1.88455 2.08142 2.09172 2.11004 2.07457 2.10535 2.10301 2.08293 2.09630 2.10391 2.12791 2.04047 2.11334 2.10264 2.09314 2.08718 2.08230 2.08268 2.11818 2.13996 2.02744 2.11374 2.07579 2.10341 2.10398 2.08202 2.08243 2.11872 2.10592 2.08053 2.09673 2.10111 2.08425 2.09779 2.08771 2.09719 2.09820 3.16430 3.12004 0.01549 -3.12061 1.34189 -2.82629 -0.80411 -0.72796 2.47132 -0.61840 2.59108 -2.47250 0.10933 0.05006 2.63190 0.06272 2.54662 -2.41405 0.06985 -0.50440 -2.62329 1.59515 0.72196 -1.39692 2.82152 -3.06908 1.09522 -0.96952 2.77620 0.67571 -1.43804 1.56784 -0.53265 -2.64639 -0.95833 -3.05882 1.11062 2.33406 -0.15780 -0.13837 -2.63022 2.45353 -0.68143 -2.58328 0.56494 -0.12088 3.02735 -0.94457 2.20264 0.31289 -2.82308 2.83583 -0.30014 0.00991 -3.12303 -3.13823 0.01201 0.66996 -2.46712 -1.37594 1.77016 2.81222 -0.32486 -3.10998 0.00775 0.02705 -3.13840 3.13651 0.00644 -0.00050 -3.13057 -3.11487 -0.03334 0.05054 3.13207 -0.02049 -3.13910 3.10953 -0.00909 3.09732 -0.05225 0.01289 -3.13668 0.01441 -3.11903 3.13310 -0.00034 -3.07429 0.06857 -0.00387 3.13899 3.06812 -0.06783 -0.00669 3.14055 0.01230 -3.13117 -3.13055 0.00916 0.00896 -3.14088 -3.13839 -0.00505 -0.01010 -3.13808 3.13339 0.00540 -0.00069 3.12729 -3.13396 -0.00598 0.00004 0.00001 0.00008 -0.00003 0.00011 -0.00001 0.00003 0.00001 0.00002 -0.00006 -0.00001 -0.00001 -0.00002 0.00005 -0.00001 -0.00003 0.00001 0.00002 0.00000 0.00001 -0.00000 -0.00000 0.00001 0.00006 -0.00000 0.00001 0.00008 -0.00002 -0.00004 -0.00002 -0.00002 0.00000 0.00004 0.00000 0.00004 0.00001 0.00001 0.00000 0.00004 0.00001 0.00004 0.00001 -0.00001 0.00000 0.00002 -0.00001 0.00001 0.00000 0.00001 0.00004 -0.00008 -0.00001 -0.00001 -0.00004 0.00001 0.00003 0.00005 -0.00004 0.00004 -0.00003 -0.00001 -0.00003 0.00001 -0.00002 -0.00002 0.00002 -0.00003 0.00001 0.00001 0.00001 0.00001 -0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00008 -0.00001 -0.00006 0.00010 -0.00007 -0.00003 -0.00004 0.00008 -0.00005 -0.00012 0.00004 0.00005 -0.00002 0.00004 0.00003 -0.00013 0.00013 -0.00000 0.00005 -0.00004 -0.00001 -0.00002 -0.00000 0.00002 -0.00006 0.00010 -0.00004 0.00001 -0.00001 0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00001 -0.00004 0.00004 -0.00000 0.00001 -0.00000 -0.00002 0.00002 -0.00000 0.00001 -0.00000 -0.00001 0.00001 0.00000 -0.00001 0.00001 0.00003 0.00009 0.00011 0.00003 -0.00004 0.00003 0.00002 0.00001 0.00001 -0.00001 -0.00004 -0.00002 -0.00001 0.00000 -0.00000 0.00001 -0.00002 -0.00000 0.00001 0.00001 0.00001 -0.00001 -0.00000 -0.00001 -0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00001 -0.00000 0.00001 0.00001 0.00001 -0.00002 -0.00001 -0.00002 -0.00000 0.00001 0.00001 0.00001 0.00001 -0.00000 -0.00000 -0.00000 0.00001 0.00001 0.00002 -0.00002 -0.00000 -0.00002 0.00004 -0.00002 0.00004 -0.00003 -0.00001 0.00001 0.00004 -0.00003 -0.00000 0.00003 0.00002 0.00001 -0.00001 -0.00004 -0.00002 -0.00001 0.00000 -0.00001 -0.00000 0.00001 0.00002 0.00000 0.00001 -0.00001 -0.00001 -0.00001 -0.00000 -0.00001 -0.00000 0.00001 0.00000 0.00000 -0.00000 -0.00003 -0.00001 -0.00001 0.00001 0.00002 0.00002 0.00000 0.00000 0.00001 0.00000 -0.00001 -0.00001 -0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00001 0.00000 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 0.00000 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 -0.00001 -0.00001 0.00000 -0.00001 -0.00002 0.00000 0.00001 -0.00000 -0.00001 0.00000 0.00000 0.00000 -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 -0.00001 0.00001 -0.00000 -0.00000 0.00001 -0.00000 -0.00001 0.00000 -0.00000 -0.00000 -0.00000 0.00001 -0.00001 -0.00001 0.00000 0.00000 -0.00001 0.00001 0.00001 -0.00002 0.00002 -0.00000 0.00001 -0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00002 0.00002 -0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00001 -0.00001 0.00000 -0.00000 -0.00001 0.00001 -0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 0.00001 0.00009 0.00008 -0.00003 -0.00005 -0.00004 -0.00016 -0.00015 0.00007 0.00005 -0.00002 -0.00003 -0.00000 -0.00001 -0.00000 -0.00001 -0.00000 -0.00001 0.00001 0.00001 0.00001 0.00000 0.00001 0.00000 -0.00000 0.00000 0.00000 0.00002 0.00001 0.00002 0.00003 0.00002 0.00003 0.00004 0.00003 0.00004 0.00002 0.00001 0.00000 -0.00000 -0.00015 -0.00013 -0.00015 -0.00013 -0.00013 -0.00011 -0.00007 -0.00008 -0.00007 -0.00008 -0.00006 -0.00007 -0.00000 0.00006 -0.00002 0.00004 0.00014 0.00016 0.00015 0.00018 0.00014 0.00017 0.00002 0.00002 -0.00001 -0.00001 -0.00003 -0.00002 -0.00001 0.00001 0.00003 0.00002 0.00003 0.00002 0.00001 0.00001 -0.00001 -0.00001 -0.00003 -0.00002 -0.00002 -0.00001 0.00000 -0.00001 0.00000 -0.00001 -0.00002 -0.00001 -0.00001 0.00001 0.00002 0.00002 0.00001 0.00000 0.00000 -0.00001 -0.00001 -0.00002 -0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00001 0.00001 0.00001 0.00000 0.00000 0.00000 0.00001 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00001 0.00000 0.00000 -0.00000 0.00001 -0.00000 -0.00000 0.00000 0.00001 -0.00000 -0.00000 -0.00000 -0.00001 0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00001 -0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00001 -0.00001 0.00000 -0.00001 -0.00002 0.00000 0.00001 -0.00000 -0.00001 0.00000 0.00000 0.00000 -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 -0.00001 0.00001 -0.00000 -0.00000 0.00001 -0.00000 -0.00001 0.00000 -0.00000 -0.00000 -0.00000 0.00001 -0.00001 -0.00001 0.00000 0.00000 -0.00001 0.00001 0.00001 -0.00002 0.00002 -0.00000 0.00001 -0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00002 0.00002 -0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00001 -0.00001 0.00000 -0.00000 -0.00001 0.00001 -0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 0.00001 0.00009 0.00008 -0.00003 -0.00005 -0.00004 -0.00016 -0.00015 0.00007 0.00005 -0.00002 -0.00003 -0.00000 -0.00001 -0.00000 -0.00001 -0.00000 -0.00001 0.00001 0.00001 0.00001 0.00000 0.00001 0.00000 -0.00000 0.00000 0.00000 0.00002 0.00001 0.00002 0.00003 0.00002 0.00003 0.00004 0.00003 0.00004 0.00002 0.00001 0.00000 -0.00000 -0.00015 -0.00013 -0.00015 -0.00013 -0.00013 -0.00011 -0.00007 -0.00008 -0.00007 -0.00008 -0.00006 -0.00007 -0.00000 0.00006 -0.00002 0.00004 0.00014 0.00016 0.00015 0.00018 0.00014 0.00017 0.00002 0.00002 -0.00001 -0.00001 -0.00003 -0.00002 -0.00001 0.00001 0.00003 0.00002 0.00003 0.00002 0.00001 0.00001 -0.00001 -0.00001 -0.00003 -0.00002 -0.00002 -0.00001 0.00000 -0.00001 0.00000 -0.00001 -0.00002 -0.00001 -0.00001 0.00001 0.00002 0.00002 0.00001 0.00000 0.00000 -0.00001 -0.00001 -0.00002 -0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00001 0.00001 0.00001 0.00000 0.00000 0.00000 0.00001 3.30445 3.31211 2.56069 2.73027 2.29997 2.62308 2.63477 2.18038 2.86026 2.89784 2.86571 2.86707 2.89839 2.77845 2.04485 2.78347 2.04596 2.05791 2.06820 2.06745 2.06699 2.06123 2.06797 2.51556 2.04845 2.87209 2.77260 2.06436 2.63453 2.63453 2.62893 2.04558 2.63498 2.04774 2.63285 2.63175 2.04753 2.04695 2.63557 2.63161 2.63499 2.04576 2.63377 2.04751 2.63575 2.04803 2.63550 2.04862 2.04588 2.03468 2.10099 2.05270 2.09655 2.10428 2.01730 1.97320 2.13745 1.99266 2.07148 1.99092 2.01800 2.16276 2.00168 2.13039 2.03767 1.94298 1.96937 1.92358 1.90401 1.89288 1.88852 1.88329 1.91371 1.97061 1.91801 1.88332 1.88465 1.89131 2.18798 2.05946 2.03573 2.13463 1.98158 2.16696 1.98434 2.16969 2.12912 1.95340 1.83081 1.91872 1.94783 1.92532 1.88456 2.08140 2.09174 2.11003 2.07458 2.10535 2.10301 2.08293 2.09629 2.10391 2.12789 2.04049 2.11334 2.10264 2.09314 2.08718 2.08230 2.08268 2.11818 2.13997 2.02744 2.11374 2.07579 2.10340 2.10400 2.08202 2.08243 2.11872 2.10592 2.08053 2.09673 2.10111 2.08425 2.09779 2.08771 2.09720 2.09820 3.16430 3.12004 0.01558 -3.12053 1.34186 -2.82634 -0.80415 -0.72812 2.47117 -0.61833 2.59114 -2.47252 0.10930 0.05006 2.63189 0.06271 2.54660 -2.41405 0.06984 -0.50439 -2.62327 1.59516 0.72196 -1.39692 2.82152 -3.06908 1.09523 -0.96952 2.77622 0.67572 -1.43801 1.56787 -0.53263 -2.64636 -0.95829 -3.05879 1.11066 2.33407 -0.15779 -0.13837 -2.63023 2.45339 -0.68155 -2.58343 0.56482 -0.12101 3.02723 -0.94464 2.20256 0.31282 -2.82316 2.83577 -0.30022 0.00991 -3.12297 -3.13826 0.01205 0.67010 -2.46696 -1.37579 1.77034 2.81237 -0.32469 -3.10996 0.00777 0.02705 -3.13841 3.13647 0.00642 -0.00051 -3.13056 -3.11484 -0.03332 0.05058 3.13210 -0.02048 -3.13910 3.10952 -0.00910 3.09729 -0.05227 0.01287 -3.13669 0.01441 -3.11904 3.13311 -0.00035 -3.07431 0.06856 -0.00387 3.13900 3.06814 -0.06782 -0.00668 3.14055 0.01231 -3.13118 -3.13057 0.00914 0.00896 -3.14089 -3.13839 -0.00505 -0.01010 -3.13809 3.13340 0.00541 -0.00069 3.12730 -3.13396 -0.00597 |Maximum Force|RMS Force|Maximum Displacement|RMS Displacement| 0.000133 0.000031 0.000629 0.000139 0.000450 0.000300 0.001800 0.001200 YES YES YES YES -4.109695e-08 Optimization completed. -- Stationary point found. R1 R2 R3 R4 R5 R6 R7 R8 R9 R10 R11 R12 R13 R14 R15 R16 R17 R18 R19 R20 R21 R22 R23 R24 R25 R26 R27 R28 R29 R30 R31 R32 R33 R34 R35 R36 R37 R38 R39 R40 R41 R42 R43 R44 R45 R46 R47 R48 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 1.7486 1.7527 1.3551 1.4448 1.2171 1.3881 1.3943 1.1538 1.5136 1.5335 1.5165 1.5172 1.5338 1.4703 1.0821 1.4729 1.0827 1.089 1.0944 1.094 1.0938 1.0908 1.0943 1.3312 1.084 1.5198 1.4672 1.0924 1.3941 1.3941 1.3912 1.0825 1.3944 1.0836 1.3932 1.3927 1.0835 1.0832 1.3947 1.3926 1.3944 1.0826 1.3937 1.0835 1.3948 1.0838 1.3946 1.0841 1.0826 -DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0001|-DE/DX = 0.0|-DE/DX = 0.0001|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = -0.0001|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0001|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0001|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-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 47 116.5792 120.3785 117.6106 120.1241 120.5672 115.5825 113.0555 122.467 114.1716 118.6867 114.0713 115.6229 123.918 114.6877 122.0623 116.7498 111.3244 112.837 110.2132 109.0912 108.4538 108.2042 107.9045 109.6469 112.9076 109.8942 107.9057 107.9823 108.3645 125.3613 117.9982 116.6395 122.3048 113.5364 124.1579 113.6946 124.3135 121.9903 111.9225 104.8976 109.9348 111.6031 110.3119 107.977 119.2564 119.8469 120.8962 118.8641 120.6277 120.4939 119.3428 120.1089 120.5449 121.9202 116.91 121.0855 120.4726 119.9278 119.5866 119.307 119.3288 121.3626 122.611 116.164 121.1084 118.9339 120.5167 120.5493 119.2908 119.3145 121.3939 120.6604 119.2055 120.1339 120.3849 119.4188 120.1946 119.6167 120.1604 120.2183 -DE/DX = 0.0|-DE/DX = -0.0001|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0001|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0001|-DE/DX = 0.0|-DE/DX = -0.0001|-DE/DX = 0.0001|-DE/DX = -0.0001|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0001|-DE/DX = 0.0|-DE/DX = -0.0001|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = -0.0001|-DE/DX = 0.0001|-DE/DX = 0.0|-DE/DX = 0.0001|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = -0.0001|-DE/DX = 0.0001|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0 A81 6 17 15 1 -1 181.3011 -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 0.8872 -178.7978 76.8844 -161.9345 -46.0721 -41.7088 141.5959 -35.4315 148.4582 -141.6641 6.2643 2.8683 150.7967 3.5933 145.9103 -138.3149 4.0021 -28.9 -150.3032 91.3955 41.3655 -80.0377 161.6609 -175.8451 62.7517 -55.5496 159.0645 38.7153 -82.3934 89.8308 -30.5184 -151.6271 -54.9082 -175.2573 63.634 133.7317 -9.0411 -7.928 -150.7007 140.577 -39.0429 -148.0112 32.3688 -6.9258 173.4543 -54.1198 126.2019 17.9274 -161.7508 162.4813 -17.197 0.5679 -178.9362 -179.8075 0.6884 38.3862 -141.3556 -78.8358 101.4225 161.1286 -18.6132 -178.1889 0.4442 1.55 -179.8168 179.7086 0.369 -0.0288 -179.3685 -178.4691 -1.9103 2.8958 179.4546 -1.174 -179.8574 178.1628 -0.5207 177.4632 -2.9939 0.7386 -179.7185 0.8258 -178.7075 179.5137 -0.0196 -176.1437 3.9288 -0.2215 179.8509 175.7902 -3.8866 -0.3831 179.9401 0.7049 -179.4027 -179.3675 0.5249 0.5136 -179.9594 -179.8166 -0.2895 -0.5784 -179.7989 179.5302 0.3096 -0.0393 179.1807 -179.5627 -DE/DX = 0.0001|-DE/DX = 0.0001|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-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 -0.0588046329 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:-3.024,-.9887,2.0737;-4.8101,-.4742,-.1311;1.705,-1.4499,.2164;2.1615,-1.6671,-1.9563;1.1678,3.5619,-.498;3.3607,-.918,3.017;-.5996,-3.442,-.5621;-1.0643,-2.0815,-.1199;-.0204,-2.1988,-1.2087;.219,-4.256,.4084;-1.4922,-4.2853,-1.4385;-2.3897,-1.5609,-.4829;1.3774,-1.7604,-1.0443;-3.2754,-1.071,.3745;3.0031,-.9167,.4283;3.1418,.4982,-.0905;3.186,-.9314,1.8803;2.0504,1.3575,-.0275;4.3593,.9232,-.5948;2.1872,2.6554,-.4979;4.484,2.2329,-1.0423;3.4069,3.0997,-1.0018;-.0742,3.1553,-.0491;-.9899,2.6469,-.9568;-.3877,3.2849,1.2944;-2.2476,2.2684,-.5068;-1.6477,2.9011,1.7328;-2.5786,2.3938,.8359;-.6985,-1.7789,.854;-.3663,-2.0273,-2.2223;.7822,-3.6497,1.1148;.9218,-4.8989,-.1242;-.4414,-4.9014,.9896;-.9036,-5.0456,-1.9541;-2.0147,-3.7038,-2.1969;-2.2408,-4.7992,-.8331;-2.6718,-1.5721,-1.529;3.7762,-1.5578,-.0077;1.1082,1.0118,.3776;5.1999,.2432,-.6431;5.4292,2.5787,-1.4386;3.5031,4.116,-1.3619;-.725,2.5511,-2.0022;.3439,3.6788,1.9885;-2.9692,1.8749,-1.2107;-1.9002,2.9994,2.7802;-3.5596,2.0996,1.1835; 0.000000 2.883731 0.000000 5.101571 6.596967 0.000000 6.602252 7.304583 2.230705 0.000000 6.700151 7.222147 5.090892 5.518673 0.000000 6.454435 8.767559 3.296618 5.170401 6.101873 0.000000 4.340962 5.169338 3.144186 3.566171 7.223717 5.904704 0.000000 3.137942 4.076158 2.860248 3.734877 6.080531 5.547493 1.504119 0.000000 4.610809 5.203491 2.359857 2.366919 5.924697 5.561413 1.516270 1.512858 0.000000 4.895437 6.315457 3.181071 4.008450 7.927221 5.274263 1.508208 2.579568 2.627648 0.000000 5.054632 5.219441 4.582615 4.524675 8.338977 7.398742 1.508586 2.603547 2.563702 2.517935 0.000000 2.695505 2.676427 4.155484 4.784879 6.236907 6.762384 2.597888 1.469522 2.558698 3.855237 3.023391 0.000000 5.448826 6.385393 1.339115 1.206276 5.354296 4.597603 2.639885 2.630466 1.474152 3.111383 3.842567 3.813892 0.000000 1.719652 1.722519 4.997362 5.945377 6.478188 7.144574 3.695793 2.480895 3.791206 4.728234 4.098600 1.326519 4.912935 0.000000 6.248083 7.845687 1.419205 2.637674 4.927881 2.613352 4.509705 4.266216 3.669463 4.347694 5.919439 5.507012 2.350147 6.280649 0.000000 6.701597 8.011204 2.439985 3.021611 3.667271 3.422032 5.453924 4.934201 4.303866 5.603012 6.795021 5.915300 3.020543 6.622614 1.513371 0.000000 6.213251 8.257854 2.287069 4.038615 5.469796 1.150118 5.157476 4.836138 4.629185 4.692823 6.644440 6.088429 3.537220 6.636019 1.463626 2.435148 0.000000 5.972390 7.101573 2.839155 3.588966 2.420595 4.020475 5.508549 4.640781 4.281464 5.920821 6.810489 5.332840 3.347863 5.867189 2.507535 1.390552 3.188848 0.000000 8.080153 9.286811 3.651701 3.659703 4.142126 4.175225 6.606567 6.218408 5.413450 6.706179 7.879104 7.192478 4.036735 7.950153 2.504259 1.384647 3.307969 2.416879 0.000000 6.859241 7.674039 4.194874 4.561969 1.364080 5.147943 6.704421 5.757918 5.379798 7.243162 7.911810 6.222999 4.522571 6.669899 3.779418 2.393978 4.418048 1.387269 2.779917 0.000000 8.744012 9.723078 4.782287 4.630239 3.613781 5.260034 7.634006 7.088582 6.321169 7.899417 8.852055 7.871039 5.059350 8.551689 3.778336 2.390968 4.498840 2.778186 1.389633 2.397951 0.000000 8.217639 9.002751 5.007930 5.018373 2.341155 5.682798 7.683691 6.900278 6.313725 8.139875 8.873005 7.455935 5.266944 7.996387 4.282472 2.769212 4.960328 2.413348 2.410297 1.392456 1.383114 0.000000 5.511809 5.967289 4.944080 5.647129 1.381761 6.147417 6.638010 5.330026 5.478427 7.431151 7.700868 5.271837 5.221179 5.318724 5.126254 4.171829 5.572428 2.783157 4.993494 2.358999 4.755389 3.609492 0.000000 5.151569 5.001651 5.042137 5.435084 2.388196 6.886761 6.114127 4.802468 4.948096 7.139676 6.967040 4.459782 5.003540 4.562737 5.528274 4.736903 6.188006 3.430656 5.631661 3.210066 5.490174 4.420297 1.385992 0.000000 5.081409 5.976625 5.287781 6.448838 2.389364 5.889178 6.981625 5.590760 6.039143 7.616979 8.123849 5.536134 5.834396 5.306505 5.468252 4.705487 5.558046 3.377394 5.628571 3.199831 5.504601 4.439155 1.385727 2.416153 0.000000 4.227327 3.772144 5.474769 6.085177 3.652177 7.350121 5.943746 4.524619 5.040738 7.034916 6.662608 3.832072 5.446185 3.603439 6.212080 5.687976 6.742517 4.419574 6.743041 4.451692 6.752982 5.736722 2.391655 1.388401 2.781533 0.000000 4.140140 4.986717 5.698364 6.999035 3.652355 6.427929 6.826402 5.347814 6.108074 7.514119 7.856545 5.036794 6.212268 4.502444 6.156867 5.660148 6.170382 4.376852 6.738901 4.443238 6.763473 5.750289 2.390747 2.780504 1.388126 2.403322 0.000000 3.629273 3.760361 5.788581 6.837789 4.144757 7.141433 6.318849 4.820327 5.640622 7.226974 7.138924 4.173147 6.036749 3.564210 6.502383 6.097076 6.736294 4.821498 7.234868 4.955810 7.309811 6.300905 2.763192 2.408731 2.409139 1.388623 1.388580 0.000000 2.742222 4.424681 2.508366 4.011216 5.816758 4.679456 2.186615 1.083462 2.211532 2.678893 3.488215 2.166744 2.813107 2.715041 3.824478 4.563451 4.106205 4.262743 5.914542 5.460620 6.822677 6.640703 5.054825 4.790762 5.092400 4.542285 4.855420 4.576717 0.000000 5.157200 5.150913 3.251326 2.567175 6.046936 6.524703 2.193583 2.215822 1.084619 3.497181 2.642080 2.708642 2.121169 4.014998 4.428515 4.819650 5.536359 4.702618 5.803917 5.605518 6.562556 6.481734 5.627314 4.882409 6.370783 4.993515 6.447697 5.813159 3.104114 0.000000 4.742135 6.550593 2.549042 3.906981 7.399754 4.210670 2.182802 2.719022 2.854446 1.087998 3.477924 4.120233 2.930127 4.864378 3.587867 4.921900 3.708556 5.290159 6.052247 6.658054 7.277446 7.544729 6.956691 6.861402 7.034910 6.843529 7.014201 6.920752 2.400118 3.884222 0.000000 5.974097 7.241056 3.553120 3.916341 8.472566 5.627038 2.151502 3.447020 3.058494 1.091328 2.816214 4.715547 3.302193 5.702464 4.527088 5.835871 4.988559 6.358142 6.777494 7.668680 8.024605 8.421562 8.115830 7.828552 8.408440 7.846150 8.419619 8.146047 3.649225 3.782469 1.764950 0.000000 4.811876 6.319952 4.137331 5.090587 8.742367 5.868062 2.136072 3.093639 3.509109 1.091060 2.716491 4.137944 4.160659 4.804357 5.296902 6.569700 5.450874 6.813069 7.712516 8.138052 8.904281 9.099016 8.131621 7.814451 8.192135 7.543735 7.930047 7.603355 3.135996 4.310712 1.754875 1.760413 0.000000 6.097326 6.283476 4.944143 4.561677 8.972132 7.741661 2.145072 3.489364 3.072439 2.732209 1.091027 4.063954 4.101602 5.181235 6.163199 7.111307 6.953680 7.310110 8.072898 8.424908 9.101287 9.264585 8.459946 7.757318 8.956339 7.576014 8.791817 8.120024 4.312632 3.077448 3.769366 2.588785 2.983246 0.000000 5.160254 4.744704 4.973973 4.652582 8.111997 7.990059 2.177941 2.801605 2.686771 3.475915 1.089226 2.769531 4.075731 3.890117 6.311691 6.977274 7.166384 6.844587 8.037616 7.809111 8.877508 8.781195 7.444812 6.551256 7.979866 6.211126 7.694243 6.833531 3.840014 2.351246 4.335066 3.787774 3.750125 1.758977 0.000000 4.856233 5.079387 5.280977 5.518298 9.035396 7.827182 2.146833 3.046100 3.439948 2.808383 1.091277 3.260557 4.729739 4.053185 6.645532 7.588513 7.195324 7.547779 8.738631 8.677046 9.732256 9.711710 8.281453 7.551432 8.562314 7.075166 8.138187 7.391864 3.787799 3.623079 3.775478 3.242606 2.563338 1.762202 1.763774 0.000000 3.666535 2.780565 4.713653 4.853095 6.493311 7.581955 2.953924 2.197597 2.743241 4.394774 2.960000 1.083561 4.082480 2.058781 6.038650 6.336651 6.807940 5.756439 7.519013 6.522653 8.119133 7.684681 5.593344 4.577736 6.064563 3.996763 5.630011 4.618434 3.100893 2.450131 4.820442 5.094649 4.733153 3.920835 2.328572 3.329345 0.000000 7.134369 8.655305 2.086062 2.533006 5.766711 3.119494 4.796411 4.870019 4.033323 4.484143 6.102676 6.184175 2.621061 7.078753 1.094881 2.153198 2.075000 3.387923 2.615341 4.529531 3.992570 4.776655 6.086040 6.426185 6.518117 7.153737 7.233903 7.530628 4.562336 4.720740 3.821027 4.395924 5.473823 6.152511 6.552288 6.884220 6.625101 0.000000 4.894288 6.123192 2.538203 3.705763 2.696818 3.970449 4.861730 3.812609 3.754743 5.342444 6.174143 4.426604 3.127191 4.853306 2.704154 2.149034 3.217359 1.082285 3.394507 2.152243 3.860421 3.397892 2.484834 2.975933 2.871479 3.690946 3.605652 3.963895 3.358485 4.262600 4.730711 5.934898 6.143448 6.795310 6.214313 6.815413 4.959882 3.724188 0.000000 8.748225 10.048760 3.977401 3.821767 5.224253 4.257608 6.871829 6.702100 5.790979 6.793992 8.119410 7.802744 4.334412 8.636802 2.705413 2.146235 3.435590 3.397102 1.082369 3.862230 2.151980 3.391636 6.053847 6.647585 6.650420 7.719249 7.720019 8.204754 6.412644 6.215507 6.144992 6.709132 7.807499 8.181855 8.369234 8.990347 8.126810 2.382040 4.286571 0.000000 9.824385 10.764388 5.730477 5.382611 4.473314 6.029760 8.565250 8.100701 7.250894 8.790396 9.747839 8.898563 5.949784 9.611328 4.646420 3.373157 5.326192 3.859850 2.144144 3.376571 1.081675 2.133480 5.705226 6.437481 6.465639 7.739377 7.761641 8.326562 7.860887 7.444285 8.179687 8.829405 9.813862 9.924683 9.770159 10.659672 9.102935 4.678711 4.942089 2.477942 0.000000 8.970128 9.575635 6.058356 5.966336 2.550834 6.673518 8.636841 7.798216 7.232909 9.165680 9.774498 8.229493 6.257074 8.710207 5.364982 3.851711 6.007392 3.391128 3.393432 2.147361 2.147189 1.082523 3.929725 4.744369 4.783805 6.100426 6.130471 6.691968 7.570550 7.311132 8.593201 9.458479 10.119369 10.183515 9.606880 10.618491 8.397103 5.839544 4.289154 4.288934 2.465577 0.000000 5.867514 5.416725 5.180289 5.111413 2.620507 7.343002 6.164935 5.011884 4.866944 7.282745 6.902371 4.689141 4.891413 5.027185 5.641933 4.777111 6.518986 3.609233 5.520892 3.279397 5.306217 4.286544 2.145472 1.082639 3.394081 2.152782 3.863113 3.393447 5.187206 4.597659 7.101882 7.857508 8.035570 7.598918 6.389414 7.595453 4.584136 6.412602 3.375389 6.502192 6.179971 4.553613 0.000000 5.756385 6.950116 5.594397 6.887912 2.622008 5.593701 7.622494 6.293655 6.700824 8.091591 8.862463 6.405895 6.312762 6.185929 5.533967 4.718806 5.416931 3.516361 5.512702 3.259937 5.330718 4.319597 2.144945 3.393956 1.082703 3.864199 2.153305 3.394192 5.671020 7.127043 7.393447 8.852954 8.673787 9.654828 8.808169 9.301590 7.002819 6.571745 3.208134 6.504591 6.230166 4.625590 4.282506 0.000000 4.357743 3.173715 5.910982 6.278954 4.524216 8.108102 5.857055 4.524589 5.028931 7.097461 6.338921 3.559573 5.668828 3.359293 6.793204 6.363500 7.437452 5.183030 7.415609 5.263594 7.463659 6.496029 3.371901 2.139615 3.863606 1.082079 3.385747 2.147219 4.771693 4.798465 7.071216 7.886979 7.559702 7.260360 5.745056 6.724354 3.474381 7.663618 4.460134 8.349822 8.430877 6.850935 2.473884 4.946261 0.000000 4.203212 5.386006 6.274369 7.791513 4.525003 6.563480 7.372571 5.909778 6.816605 7.921950 8.427998 5.628870 6.930033 4.924131 6.701520 6.318171 6.490781 5.117282 7.408278 5.250846 7.480458 6.517596 3.371051 3.862448 2.139328 3.385210 1.081948 2.146403 5.290214 7.255702 7.360698 8.875957 8.231449 9.387697 8.349718 8.601788 6.329541 7.795042 4.332883 8.350324 8.467312 6.899202 4.945048 2.474799 4.281871 0.000000 3.258303 3.148966 6.422708 7.535044 5.226322 7.769083 6.520591 5.040573 6.060063 7.434509 7.205271 4.188673 6.651060 3.284483 7.262094 7.006909 7.428025 5.787037 8.200933 6.013500 8.346966 7.369428 3.844797 3.388825 3.387965 2.146397 2.144707 1.081610 4.830828 6.231154 7.204899 8.412599 7.666434 8.243327 6.891519 7.307484 4.650452 8.283125 4.860213 9.138536 9.375698 7.773453 4.288082 4.287180 2.476120 2.472429 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:3.254,-.5197,1.766;4.5424,-1.4825,-.6275;-1.0019,1.9409,.4028;-1.4691,2.5267,-1.6983;-2.5613,-2.7846,-.672;-2.5523,1.8386,3.3103;1.8534,2.9295,-.4667;1.7616,1.4605,-.157;.7856,2.0826,-1.1313;1.4918,3.9032,.6269;2.9518,3.433,-1.37;2.7422,.4975,-.6771;-.6575,2.2162,-.8616;3.4099,-.381,.0591;-2.3887,1.9441,.7042;-3.1144,.7546,.1136;-2.4587,1.8907,2.1652;-2.4565,-.4667,.0178;-4.4293,.8934,-.2974;-3.1306,-1.5546,-.5176;-5.0956,-.2122,-.812;-4.4552,-1.4325,-.9291;-1.2348,-2.9445,-.3196;-.2513,-2.7534,-1.2773;-.9155,-3.3149,.9769;1.0784,-2.9455,-.927;.4176,-3.5018,1.3158;1.4153,-3.3187,.3674;1.3674,1.2347,.8266;.9695,1.8865,-2.1821;.7786,3.5031,1.3446;1.0729,4.8185,.2053;2.3904,4.1778,1.1814;2.6854,4.409,-1.7782;3.149,2.7681,-2.2099;3.8799,3.5503,-.8081;2.9388,.4966,-1.7427;-2.8665,2.8762,.3853;-1.4313,-.5602,.3517;-4.9288,1.8507,-.2222;-6.1231,-.1185,-1.1368;-4.9725,-2.2895,-1.3413;-.5209,-2.4617,-2.2844;-1.6984,-3.4534,1.7119;1.8513,-2.8025,-1.6707;.6751,-3.7912,2.326;2.4519,-3.469,.6371; 0.1936849 0.1316307 0.0956567 -101.57159 -101.57092 -19.19449 -19.17262 -19.13132 -14.33515 -10.32384 -10.28959 -10.28261 -10.24856 -10.23769 -10.23468 -10.20525 -10.20307 -10.19652 -10.19628 -10.19606 -10.18229 -10.18200 -10.17859 -10.17856 -10.17849 -10.17801 -10.17794 -10.17780 -10.17435 -10.15778 -10.15739 -9.48697 -9.48618 -7.25158 -7.25087 -7.24164 -7.24133 -7.24079 -7.24057 -1.14589 -1.09857 -1.05167 -0.93745 -0.93280 -0.90146 -0.88217 -0.86565 -0.84749 -0.81996 -0.77400 -0.77225 -0.75882 -0.75771 -0.74090 -0.72983 -0.69440 -0.67226 -0.65102 -0.62925 -0.62133 -0.60289 -0.59532 -0.58414 -0.56632 -0.56232 -0.54235 -0.51955 -0.51291 -0.50745 -0.49446 -0.49313 -0.48998 -0.48498 -0.48370 -0.46997 -0.45584 -0.44921 -0.44276 -0.44135 -0.43189 -0.42960 -0.42148 -0.41845 -0.41265 -0.40919 -0.40408 -0.39804 -0.39463 -0.38389 -0.38258 -0.37856 -0.37581 -0.37193 -0.36900 -0.36406 -0.36124 -0.35364 -0.35059 -0.34446 -0.34003 -0.33729 -0.33294 -0.33035 -0.32176 -0.30631 -0.29302 -0.27142 -0.26482 -0.25690 -0.24405 -0.24060 -0.04131 -0.02954 -0.02092 -0.01838 -0.01579 -0.01152 -0.00672 0.00023 0.00524 0.01079 0.01540 0.01845 0.02135 0.02159 0.02964 0.03081 0.03467 0.03570 0.04196 0.04648 0.04701 0.04896 0.05430 0.05633 0.06019 0.06530 0.06877 0.06955 0.07014 0.07467 0.07998 0.08650 0.08849 0.08965 0.09233 0.09416 0.09865 0.10245 0.10578 0.10889 0.11002 0.11184 0.11624 0.11719 0.12275 0.12499 0.12556 0.12688 0.13022 0.13130 0.13546 0.14099 0.14138 0.14294 0.14757 0.14895 0.15164 0.15339 0.15530 0.15655 0.15993 0.16218 0.16354 0.16699 0.17099 0.17110 0.17318 0.17611 0.17759 0.18141 0.18390 0.18459 0.18946 0.19116 0.19752 0.19791 0.20134 0.20324 0.20363 0.20609 0.20863 0.21049 0.21454 0.21712 0.21912 0.22092 0.22208 0.22494 0.22582 0.22881 0.23058 0.23234 0.23446 0.23763 0.23887 0.23998 0.24188 0.24654 0.24661 0.24721 0.24816 0.24991 0.25425 0.25666 0.25945 0.26077 0.26300 0.26540 0.26776 0.26972 0.27462 0.27569 0.27765 0.27953 0.28416 0.28581 0.28760 0.29043 0.29156 0.29496 0.29662 0.29996 0.30295 0.30356 0.30765 0.31293 0.31451 0.31616 0.32243 0.32715 0.32912 0.33108 0.33287 0.33855 0.34198 0.34551 0.34882 0.35119 0.35912 0.35964 0.36285 0.36588 0.36791 0.37157 0.37315 0.37712 0.38315 0.38661 0.39199 0.39376 0.39754 0.40576 0.40724 0.41060 0.41955 0.42332 0.43196 0.44110 0.44350 0.45299 0.46141 0.46432 0.47560 0.47662 0.48836 0.49535 0.50007 0.50284 0.50814 0.51157 0.51578 0.52004 0.53351 0.53641 0.54149 0.54354 0.54609 0.55326 0.55985 0.56267 0.56808 0.57290 0.57571 0.58093 0.58590 0.58974 0.59304 0.59753 0.60182 0.60434 0.61100 0.61707 0.62518 0.62734 0.63621 0.63841 0.64209 0.64658 0.64972 0.65280 0.65742 0.66217 0.66458 0.67184 0.67807 0.68225 0.69096 0.69241 0.69511 0.69825 0.69970 0.70493 0.70686 0.70889 0.71341 0.71422 0.71859 0.71952 0.72391 0.73023 0.73202 0.73623 0.74124 0.74625 0.75052 0.75407 0.75478 0.75837 0.76225 0.76724 0.77022 0.77487 0.78019 0.78459 0.78771 0.79364 0.79947 0.80062 0.80581 0.81114 0.81697 0.82424 0.82996 0.83105 0.83905 0.84308 0.84714 0.85305 0.85602 0.85900 0.86540 0.87110 0.87674 0.87984 0.88529 0.88789 0.89599 0.90230 0.90619 0.91342 0.91885 0.92106 0.92268 0.93464 0.93796 0.94350 0.95086 0.95789 0.96350 0.96462 0.96771 0.97766 0.98122 0.99246 0.99427 1.00095 1.00646 1.01689 1.02090 1.02545 1.03228 1.03982 1.04405 1.04842 1.05293 1.05759 1.06518 1.07094 1.08286 1.08697 1.09344 1.10045 1.10260 1.11108 1.11600 1.12997 1.14066 1.14701 1.15591 1.16653 1.17248 1.18389 1.19164 1.19996 1.20564 1.21773 1.23409 1.24224 1.24532 1.25741 1.28031 1.28554 1.29764 1.30165 1.31475 1.32174 1.33670 1.34385 1.35165 1.36425 1.36911 1.38249 1.38328 1.39353 1.40706 1.42964 1.43782 1.45268 1.45939 1.46453 1.48341 1.48768 1.49009 1.49818 1.50363 1.51468 1.51730 1.52175 1.52698 1.53018 1.54404 1.54690 1.54945 1.56415 1.56964 1.57766 1.58053 1.58237 1.58977 1.59864 1.60904 1.61532 1.61936 1.61998 1.63349 1.63524 1.64935 1.66524 1.66926 1.67142 1.67442 1.67830 1.68776 1.68997 1.69932 1.70859 1.71274 1.72592 1.73462 1.74137 1.74336 1.75168 1.75664 1.75949 1.76449 1.76947 1.77360 1.77772 1.78524 1.79263 1.80235 1.81591 1.82054 1.82882 1.83659 1.84469 1.85798 1.86805 1.87167 1.87560 1.89298 1.89660 1.90899 1.92149 1.92733 1.93092 1.93309 1.94001 1.95237 1.96011 1.96258 1.96773 1.97597 1.97736 1.98899 1.99704 2.00252 2.00612 2.02314 2.02502 2.02760 2.04290 2.04675 2.05052 2.05758 2.06005 2.06985 2.07395 2.08848 2.09548 2.09717 2.10995 2.11644 2.12088 2.12590 2.14266 2.14904 2.17500 2.19280 2.21056 2.21440 2.22641 2.24089 2.25327 2.26075 2.27441 2.28285 2.29245 2.31553 2.32018 2.33673 2.34217 2.34988 2.35379 2.36566 2.37926 2.40328 2.40994 2.42456 2.42830 2.43163 2.44695 2.46102 2.47944 2.48501 2.49471 2.49931 2.50366 2.52040 2.52426 2.53503 2.54425 2.55884 2.57569 2.58228 2.60995 2.62415 2.63335 2.63871 2.64801 2.65986 2.66564 2.67381 2.67807 2.68076 2.70349 2.70749 2.71695 2.72063 2.73164 2.73546 2.74212 2.75216 2.75541 2.76744 2.76985 2.77779 2.78006 2.78430 2.78879 2.79719 2.79957 2.81072 2.81370 2.81746 2.82891 2.83736 2.83888 2.84534 2.85293 2.86853 2.87460 2.88222 2.88757 2.89552 2.90391 2.91922 2.92402 2.92724 2.93498 2.95195 2.95357 2.96188 2.96805 2.98812 2.99453 3.00638 3.01512 3.02543 3.05873 3.06872 3.08152 3.10227 3.12022 3.12793 3.12963 3.13600 3.14352 3.15358 3.15548 3.16603 3.18451 3.20006 3.20501 3.20977 3.23299 3.24705 3.26864 3.28710 3.32959 3.35438 3.36627 3.37204 3.38792 3.40007 3.40466 3.41703 3.44633 3.47122 3.48279 3.53034 3.54775 3.57492 3.60487 3.61970 3.64159 3.67305 3.68834 3.70526 3.71881 3.73844 3.75631 3.80075 3.81867 3.83928 3.84703 3.87041 3.90648 3.96824 3.98359 3.99104 4.01683 4.02996 4.04779 4.10171 4.11990 4.15268 4.16369 4.17529 4.18528 4.19858 4.24519 4.27563 4.33900 4.36239 4.56561 4.59176 4.63529 4.85014 4.86965 5.13065 5.14058 5.15626 5.25926 5.44457 5.45982 5.69324 5.91576 5.92048 9.80195 9.82623 23.54113 23.62291 23.63912 23.79272 23.82620 23.89889 23.91454 23.95796 23.97419 23.98053 23.98772 23.99243 24.00971 24.02209 24.09562 24.10386 24.11366 24.11582 24.20757 24.21375 24.22179 24.37801 25.96773 25.98622 26.07570 26.16030 26.65925 26.71883 35.88653 49.93448 49.99033 50.03320 215.80031 215.82742 1-A. 2.2031 2.0996 -3.3448 4.5221 -171.9390 -175.2124 -194.5339 5.8429 1.2781 -5.5531 8.6227 5.3494 -13.9721 5.8429 1.2781 -5.5531 -86.8340 73.0433 -71.2710 37.0141 28.0780 -57.2235 82.7746 -60.8471 20.4342 -0.2197 -7998.5331 -5666.2219 -1963.1988 -34.5886 194.8813 -36.4295 -72.0745 178.8827 -145.3827 -2232.4434 -1824.2459 -1264.8474 -12.3482 -18.4252 127.4244 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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:-2.5409,-.4038,2.1413;-4.7401,-.3688,.2034;1.7672,-1.582,.0476;1.9925,-1.5719,-2.195;1.2835,3.5009,.4064;3.8345,-1.5885,2.6411;-.5886,-3.5011,-.5112;-1.0348,-2.1258,-.0636;-.0845,-2.2614,-1.2598;.3352,-4.2746,.4097;-1.5379,-4.3944,-1.2876;-2.3964,-1.6228,-.2974;1.3072,-1.7813,-1.2113;-3.1094,-.9007,.5641;3.1181,-1.0849,.1711;3.2053,.4021,-.1309;3.503,-1.3783,1.5562;2.1818,1.2457,.2984;4.2989,.9042,-.8348;2.251,2.5993,-.0154;4.3652,2.2693,-1.1114;3.3391,3.1216,-.7114;-.0673,3.1589,.3593;-.6074,2.3671,-.6539;-.878,3.7225,1.3414;-1.9829,2.1391,-.6712;-2.2527,3.496,1.3035;-2.8098,2.7046,.2993;-.5566,-1.778,.8427;-.5155,-2.1205,-2.243;.9649,-3.627,1.018;.9815,-4.9381,-.1732;-.266,-4.8951,1.0809;-.967,-5.15,-1.8348;-2.144,-3.8445,-2.0088;-2.2098,-4.9131,-.597;-2.8705,-1.8583,-1.2434;3.7833,-1.6456,-.4896;1.336,.8517,.8473;5.0823,.2355,-1.1713;5.2097,2.6693,-1.6599;3.3658,4.1808,-.9368;.0315,1.9357,-1.4139;-.4275,4.3321,2.1156;-2.406,1.5166,-1.4509;-2.8858,3.9343,2.0666;-3.8763,2.5196,.2801; 0.000000 2.931365 0.000000 4.932741 6.621262 0.000000 6.381235 7.247597 2.253943 0.000000 5.734353 7.162375 5.118469 5.744772 0.000000 6.503854 8.997463 3.316646 5.175083 6.115833 0.000000 4.521133 5.249437 3.089511 3.635891 7.305807 5.758432 0.000000 3.177328 4.109452 2.856416 3.743556 6.103657 5.595928 1.513581 0.000000 4.588328 5.234274 2.366397 2.379916 6.152382 5.570390 1.533472 1.533765 0.000000 5.123828 6.407487 3.071110 4.103198 7.833096 4.943685 1.516471 2.591943 2.648858 0.000000 5.356130 5.355561 4.540462 4.610200 8.553646 7.222952 1.517188 2.626363 2.581214 2.530537 0.000000 2.730228 2.704818 4.178102 4.781870 6.347385 6.889196 2.615710 1.470291 2.584407 3.872164 3.065798 0.000000 5.286343 6.369139 1.355059 1.217088 5.524414 4.611483 2.653652 2.630686 1.472947 3.128700 3.863710 3.817974 0.000000 1.748633 1.752690 4.951045 5.838935 6.220667 7.280541 3.777975 2.489819 3.785334 4.824173 4.254921 1.331179 4.840877 0.000000 6.030814 7.890842 1.444798 2.665061 4.944694 2.620689 4.477045 4.287800 3.699823 4.239856 5.895712 5.560502 2.382350 6.242693 0.000000 6.231519 7.989723 2.457041 3.102930 3.685656 3.470241 5.456573 4.936936 4.380871 5.513802 6.844180 5.958829 3.088339 6.485113 1.519848 0.000000 6.149854 8.414083 2.308694 4.048486 5.482141 1.153806 5.051883 4.875802 4.645401 4.442755 6.526430 6.188557 3.555660 6.703458 1.467193 2.470746 0.000000 5.331136 7.108292 2.868986 3.767195 2.429845 4.031472 5.555460 4.673784 4.456930 5.822060 6.939895 5.435367 3.493889 5.716168 2.514878 1.394134 3.195754 0.000000 7.573114 9.187086 3.656497 3.647019 4.168421 4.302502 6.587890 6.182577 5.423701 6.639335 7.896145 7.176528 4.037912 7.752345 2.522420 1.394135 3.400030 2.425541 0.000000 6.052461 7.598205 4.209690 4.713374 1.388076 5.205964 6.747160 5.755414 5.534400 7.148520 8.055149 6.285215 4.637972 6.428050 3.789391 2.398221 4.456234 1.391169 2.781845 0.000000 8.088302 9.570538 4.788100 4.643096 3.649298 5.407928 7.628809 7.040925 6.352120 7.834400 8.904074 7.844163 5.076349 8.290165 3.801358 2.406880 4.600455 2.793356 1.394370 2.404195 0.000000 7.425664 8.848293 5.017086 5.103210 2.370324 5.802591 7.702419 6.861851 6.402996 8.061272 8.978115 7.454951 5.330784 7.706404 4.303705 2.783949 5.041590 2.424451 2.419366 1.393242 1.392661 0.000000 4.688997 5.856934 5.093036 5.757378 1.394261 6.555043 6.736850 5.389105 5.657001 7.444536 7.869339 5.359141 5.363004 5.077045 5.309592 4.306979 5.896180 2.953339 5.057031 2.414159 4.754153 3.570881 0.000000 4.385155 5.029868 4.661200 4.964890 2.446440 6.799610 5.870017 4.551630 4.697241 6.792069 6.854581 4.387164 4.602828 4.292117 5.145503 4.321044 5.983912 3.153371 5.122964 2.938012 4.994578 4.018311 1.394683 0.000000 4.520112 5.740176 6.067055 6.983990 2.365491 7.218307 7.463005 6.016725 6.572927 8.142076 8.557484 5.793394 6.448515 5.192040 6.359975 5.464963 6.727309 4.072382 6.283236 3.590691 5.968206 4.728475 1.392585 2.427213 0.000000 3.832458 3.828431 5.331711 5.647790 3.699297 7.662173 5.812247 4.411085 4.828610 6.904911 6.577600 3.803012 5.146502 3.469210 6.092940 5.497870 6.886771 4.368358 6.404146 4.309003 6.364697 5.412002 2.402317 1.394374 2.788919 0.000000 3.999170 4.725919 6.597228 7.479608 3.648235 8.043361 7.417683 5.912431 6.664820 8.238824 8.335630 5.365234 6.844498 4.539999 7.149287 6.435780 7.546507 5.073287 7.362971 4.777730 7.150763 5.955453 2.404352 2.795127 1.393731 2.411038 0.000000 3.623161 3.630592 6.275993 6.897278 4.171442 8.249989 6.640929 5.159008 5.875378 7.655893 7.384563 4.387888 6.273394 3.627398 7.036844 6.455107 7.622385 5.200408 7.420381 5.071684 7.325369 6.245314 2.780508 2.423477 2.419476 1.394781 1.394648 0.000000 2.740867 4.460464 2.463883 3.970911 5.607393 4.748969 2.191603 1.082088 2.208442 2.686233 3.513746 2.169953 2.773533 2.713708 3.799388 4.455675 4.141149 4.115562 5.795240 5.270620 6.665103 6.449606 4.984538 4.407289 5.532387 4.435062 5.559135 5.046371 0.000000 5.125596 5.186583 3.278356 2.567771 6.469609 6.562047 2.215988 2.240413 1.082675 3.521432 2.669920 2.751543 2.121695 4.012034 4.483705 4.966826 5.579655 5.006565 5.857554 5.906971 6.661266 6.684548 5.902978 4.761601 6.864420 4.771673 6.865936 5.916889 3.104897 0.000000 4.893042 6.620121 2.401459 3.950019 7.161138 3.876210 2.183458 2.724341 2.855582 1.089001 3.488333 4.128608 2.914276 4.923326 3.437450 4.751126 3.433394 5.073643 5.922884 6.441131 7.131798 7.360078 6.895445 6.418448 7.583917 6.692590 7.821217 7.406360 2.400952 3.885190 0.000000 6.190695 7.331895 3.453892 4.054813 8.464263 5.223082 2.155083 3.462153 3.079243 1.094442 2.807988 4.734658 3.338990 5.794856 4.419450 5.784954 4.692685 6.316893 6.751030 7.645190 8.017278 8.414685 8.181988 7.491470 8.986547 7.689152 9.152872 8.544517 3.658454 3.803104 1.771514 0.000000 5.145060 6.424518 4.022193 5.184258 8.564373 5.493877 2.140538 3.093534 3.528215 1.094045 2.734619 4.140804 4.174268 4.930279 5.176712 6.448217 5.176807 6.656860 7.625040 7.981414 8.808140 8.970871 8.088676 7.474352 8.643229 7.449691 8.625956 8.052176 3.139685 4.336899 1.768408 1.769451 0.000000 6.388559 6.422643 4.873431 4.657483 9.215548 7.468197 2.148066 3.505418 3.074673 2.738630 1.093802 4.104662 4.112055 5.329337 6.102302 7.151140 6.760627 7.441209 8.086093 8.585922 9.165312 9.392793 8.640713 7.617860 9.424341 7.451063 9.287420 8.345432 4.325297 3.090050 3.767017 2.569538 3.009622 0.000000 5.405518 4.869725 4.964386 4.723390 8.457891 7.902796 2.186304 2.822807 2.703456 3.490025 1.090758 2.815798 4.099182 4.027180 6.329106 7.083496 7.118947 7.067258 8.089521 8.050607 8.975192 8.959572 7.679086 6.540774 8.371767 6.133495 8.053992 6.975841 3.862794 2.383074 4.344377 3.785984 3.765171 1.766290 0.000000 5.285980 5.262434 5.227643 5.601557 9.165430 7.620541 2.151589 3.071539 3.462353 2.810352 1.094319 3.309172 4.749171 4.272808 6.605498 7.602166 7.054575 7.617019 8.732818 8.756311 9.751044 9.765223 8.406044 7.454712 8.950109 7.056284 8.621290 7.693698 3.825512 3.657686 3.786942 3.219417 2.567854 1.770029 1.771842 0.000000 3.698680 2.794143 4.821941 4.963508 6.978427 7.753664 2.905461 2.198450 2.815041 4.341330 2.865161 1.083993 4.178483 2.059388 6.201804 6.577438 6.977717 6.126778 7.694103 6.899833 8.331275 7.977523 5.966464 4.829449 6.465027 4.134621 5.961307 4.817072 3.116390 2.571768 4.790799 5.046564 4.626799 3.848146 2.249155 3.191530 0.000000 6.961265 8.646248 2.087359 2.473942 5.791173 3.131707 4.749381 4.860586 3.991465 4.428280 6.042108 6.182692 2.582649 7.012452 1.092415 2.157775 2.082157 3.397884 2.624277 4.537813 4.006467 4.793000 6.215356 5.950345 7.341415 6.899677 8.129204 7.938225 4.541700 4.666782 3.760548 4.334813 5.424238 6.054397 6.501927 6.826780 6.699647 0.000000 4.275707 6.230848 2.597742 3.944584 2.686156 3.926173 4.949387 3.913515 4.018593 5.241355 6.351223 4.622171 3.342320 4.786782 2.717195 2.157087 3.189149 1.082476 3.407471 2.153007 3.875827 3.405009 2.744215 2.885644 3.658938 3.870198 4.481033 4.574037 3.239949 4.670307 4.497242 5.889711 5.970473 6.965500 6.505527 6.920364 5.423057 3.743319 0.000000 8.336458 9.936554 3.972316 3.723074 5.251953 4.406666 6.823326 6.649932 5.739199 6.736179 8.079394 7.755561 4.280299 8.450320 2.720924 2.152561 3.540885 3.405018 1.083617 3.865270 2.157377 3.403000 6.116229 6.097923 7.348385 7.334274 8.399909 8.399150 6.317291 6.167238 6.055149 6.676770 7.745987 8.126431 8.340711 8.945020 8.224136 2.385544 4.299900 0.000000 9.163271 10.568859 5.730671 5.350178 4.513956 6.206339 8.544872 8.033357 7.245757 8.732847 9.775734 8.839232 5.936292 9.321988 4.671290 3.390504 5.444161 3.876857 2.150759 3.385743 1.083507 2.145589 5.671329 5.911178 6.868549 7.279578 8.071701 8.255464 7.700133 7.487379 8.051879 8.829573 9.732225 9.966220 9.830014 10.661742 9.271611 4.692863 4.959326 2.485672 0.000000 8.085934 9.365065 6.060908 6.046634 2.569479 6.804803 8.650448 7.739521 7.315110 9.082464 9.884464 8.203264 6.313488 8.366761 5.386594 3.866936 6.093960 3.397367 3.408331 2.143101 2.164039 1.083200 3.809276 4.376718 4.838384 5.731267 6.087300 6.468804 7.352463 7.515131 8.399186 9.456329 9.981617 10.326867 9.793504 10.672476 8.686548 5.858399 4.287848 4.308927 2.491443 0.000000 4.972908 5.540223 4.186067 4.093707 2.707589 6.582279 5.545995 4.410841 4.201504 6.479597 6.522891 4.450149 3.935044 4.671467 4.600348 3.751161 5.644003 2.834057 4.428373 2.706033 4.357101 3.583302 2.156494 1.082571 3.407589 2.156559 3.877684 3.405798 4.385110 4.176027 6.142334 7.049156 7.278176 7.168072 6.204604 7.252328 4.779614 5.268354 2.826635 5.334864 5.235750 4.047977 0.000000 5.186082 6.659816 6.638552 7.700302 2.557380 7.313990 8.263477 6.842640 7.415237 8.807196 9.432162 6.720101 7.172964 6.081251 6.759888 5.804206 6.954831 4.431276 6.541764 3.836451 6.135104 4.862563 2.142603 3.400530 1.083498 3.872237 2.165580 3.409227 6.242587 7.787270 8.154163 9.651978 9.286416 10.286287 9.317409 9.798362 7.454661 7.762135 4.102710 7.612164 6.985537 4.871300 4.290839 0.000000 4.075472 3.426260 5.409475 5.425769 4.582497 8.082689 5.418766 4.131757 4.438357 6.671825 5.976566 3.344566 4.972039 3.224568 6.317749 5.871206 7.234492 4.917393 6.760952 4.992027 6.821379 6.010681 3.382797 2.143266 3.872659 1.083773 3.395316 2.153537 4.419779 4.174924 6.626762 7.400688 7.217939 6.830933 5.396425 6.489080 3.413025 7.016396 4.441415 7.602259 7.705295 6.377775 2.473497 4.955929 0.000000 4.352422 5.042500 7.493789 8.501585 4.508588 8.717474 8.198021 6.684965 7.569648 8.972519 9.079329 6.058828 7.809870 5.067999 8.051836 7.376092 8.324670 6.002915 8.319840 5.701184 8.090072 6.864859 3.385229 3.879193 2.145229 3.396030 1.084080 2.154314 6.289143 7.800771 8.549895 9.934417 9.262470 10.071152 8.813033 9.264342 6.671637 9.063432 5.367809 9.362514 9.001326 6.939989 4.961748 2.490714 4.295121 0.000000 3.713958 3.015777 6.980502 7.570333 5.253872 9.050342 6.905394 5.456406 6.293482 7.994681 7.465188 4.436577 6.898650 3.516681 7.869360 7.402883 8.442507 6.190626 8.407606 6.134988 8.361980 7.308040 3.863116 3.403199 3.400496 2.152874 2.153367 1.082636 5.459515 6.260386 7.858924 8.911885 8.285744 8.471160 6.981588 7.667567 4.743324 8.752765 5.502065 9.358533 9.292076 7.529231 4.299050 4.306802 2.482806 2.484767 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:2.7313,-.5552,1.7823;4.6892,-.9172,-.3692;-1.2456,1.9463,.2794;-1.6321,2.2724,-1.9171;-2.1201,-3.0929,.0774;-3.0356,2.1657,3.0629;1.4907,3.2452,-.3293;1.583,1.7568,-.0702;.6176,2.2805,-1.1408;.8802,4.111,.7557;2.5844,3.9517,-1.1081;2.738,.9519,-.4943;-.8442,2.1742,-.9947;3.2931,-.0308,.2115;-2.6673,1.8038,.4935;-3.1731,.4391,.0558;-2.8546,2.0129,1.9336;-2.3848,-.6868,.2893;-4.4108,.3278,-.5761;-2.8384,-1.9268,-.1487;-4.8619,-.9286,-.9788;-4.0756,-2.0599,-.7754;-.7345,-3.1085,-.0766;-.0787,-2.3641,-1.0569;-.0341,-3.9796,.7541;1.3022,-2.4991,-1.1954;1.344,-4.1132,.5951;2.0168,-3.3747,-.3781;1.0981,1.435,.8421;.9202,2.1558,-2.1728;.1468,3.578,1.3591;.3943,4.9859,.3127;1.6744,4.467,1.4187;2.1984,4.891,-1.5145;2.9649,3.3576,-1.94;3.4206,4.1896,-.4434;3.186,1.1722,-1.4565;-3.2047,2.5947,-.0347;-1.4258,-.5958,.783;-5.0086,1.2127,-.7604;-5.8214,-1.0257,-1.4729;-4.4028,-3.0398,-1.1011;-.633,-1.6915,-1.699;-.5727,-4.543,1.5067;1.8176,-1.9154,-1.9493;1.8912,-4.7912,1.2402;3.0893,-3.4707,-.4904; 0.1815318 0.1395481 0.0938246 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= 761 761 761 761 761 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= 1.15D-06 NBF= 746 NBsUse= 745 1.00D-06 EigRej= 6.47D-07 NBFU= 745 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= 761 761 761 761 761 MxSgAt= 47 MxSgA2= 47. 1 8.66775448e-01 8.26032093e-01 -1.31593474e+00 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 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 0.002636240 0.001006727 0.014947871 -0.013108054 0.005532830 -0.004984216 -0.009477025 -0.003524457 0.009038673 0.011605028 0.000991573 -0.013809087 0.001653486 0.011992087 -0.003878615 0.001236465 0.000105797 0.008633792 -0.000291690 -0.007093945 0.000912092 -0.004620517 0.005103022 0.006115429 0.004123039 0.004120523 -0.007166525 0.002425361 -0.001701284 0.003505317 -0.002551017 -0.002222776 -0.003371512 0.002684649 -0.000232516 -0.003862314 -0.012625498 -0.003683493 0.000656111 0.004733537 -0.003231379 -0.005030967 0.010836840 0.001599041 0.003904447 0.000379047 -0.000168419 -0.000545514 0.000250091 -0.001357015 -0.003821552 -0.004755088 -0.001926058 0.002333075 0.004510320 -0.002588161 -0.000475791 0.006604388 -0.003985150 -0.000677147 0.004399830 0.001492484 -0.001905761 0.001404329 0.004549982 -0.001715710 -0.007543297 -0.002877443 0.002796190 0.000212742 -0.000052329 -0.005017980 0.002586145 0.002345330 0.003698773 -0.003545309 -0.001973487 -0.003035545 -0.001532502 0.000534001 0.004752301 -0.004557851 -0.001215109 0.001425900 0.001086459 0.000101032 -0.001042347 0.001427923 0.000264456 0.000401955 0.001048873 0.002567756 -0.000149176 0.001244443 -0.001021087 -0.001636399 -0.001819890 -0.001201710 0.000719721 0.001596168 -0.001321346 -0.000651179 -0.000613486 0.001002725 -0.000535992 -0.001223482 -0.000865483 0.001697734 -0.000229749 -0.000168074 -0.000158380 -0.001904340 -0.000242056 -0.000917491 0.000379747 -0.000124381 -0.000678182 0.000544062 -0.000849377 -0.000016676 0.001331524 0.000415755 -0.000608774 -0.001314860 0.000836772 0.000037839 0.001629604 0.000137226 -0.000276916 0.001417710 0.000174110 -0.000600470 -0.000858894 -0.000708000 -0.000675341 -0.000402501 0.000135257 0.001438378 -0.001012998 -0.000673953 0.000229959 0.014947871 0.004041370 (Enter /usr/local/gaussian/gaussian16/g16/l716.exe) Closed 1 1 1 -2050.96029646225 -2050.96029888975 -0.000002427491 -2050.96029883147 0.000000058279 -2050.96029894732 -0.000000115853 -2050.96029894884 -0.000000001520 -2050.96029894912 -0.000000000285 -2050.96029894952 -0.000000000397 -2050.96029894942 0.000000000103 -2050.96029894949 -0.000000000070 -2050.96029895 9 2.043974708223e+03 -1.065886771355e+04 3.643691358142e+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) PT1357407.800S 2024-10-11T16:02:46.000 Mulliken charges: 1 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 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 0.081212 0.192904 0.141952 -0.265775 -0.081271 -0.341221 0.474790 0.404321 -0.248041 -0.548617 -0.508029 -1.533402 -0.409201 0.391150 0.527644 0.781966 -0.473370 0.020153 -0.552734 -0.474515 -0.082384 -0.149572 -0.018574 -0.285942 -0.250028 0.234537 -0.261522 -0.161419 0.205894 0.208142 0.157872 0.166676 0.164344 0.167888 0.154773 0.166099 0.204262 0.250965 0.214648 0.159888 0.170849 0.164729 0.167780 0.165595 0.168543 0.168583 0.167460 -0.00000 -101.57151 -101.57096 -19.19302 -19.17336 -19.13236 -14.33726 -10.32589 -10.29168 -10.28707 -10.24883 -10.24322 -10.23714 -10.20939 -10.20696 -10.20073 -10.20021 -10.19978 -10.18731 -10.18612 -10.18381 -10.18356 -10.17900 -10.17874 -10.17827 -10.17683 -10.17184 -10.16026 -10.15847 -9.48615 -9.48550 -7.25094 -7.25034 -7.24079 -7.24058 -7.24011 -7.23994 -1.13438 -1.08744 -1.04502 -0.93667 -0.92313 -0.89575 -0.88069 -0.86110 -0.84280 -0.81699 -0.77376 -0.77206 -0.75707 -0.75428 -0.73915 -0.72883 -0.69314 -0.67166 -0.64813 -0.63147 -0.61586 -0.60033 -0.59468 -0.58224 -0.56336 -0.55837 -0.54237 -0.51863 -0.50868 -0.50508 -0.49473 -0.49012 -0.48706 -0.48409 -0.47714 -0.46760 -0.45536 -0.44669 -0.44199 -0.43965 -0.43077 -0.42834 -0.41921 -0.41578 -0.41055 -0.40757 -0.40310 -0.39734 -0.39324 -0.38593 -0.38449 -0.37915 -0.37611 -0.37210 -0.36667 -0.36453 -0.36135 -0.35095 -0.35000 -0.34343 -0.34045 -0.33646 -0.33311 -0.33047 -0.32167 -0.30909 -0.29093 -0.27220 -0.26509 -0.26279 -0.24484 -0.23291 -0.04379 -0.03483 -0.02903 -0.02046 -0.01724 -0.01140 -0.00534 -0.00176 0.00292 0.01036 0.01428 0.01665 0.01747 0.02045 0.02962 0.03003 0.03363 0.03556 0.04094 0.04544 0.04791 0.04985 0.05436 0.05553 0.06128 0.06522 0.06664 0.06925 0.07197 0.07542 0.07994 0.08511 0.08666 0.09012 0.09188 0.09631 0.09741 0.09948 0.10314 0.10759 0.10810 0.11119 0.11424 0.11543 0.11995 0.12040 0.12312 0.12816 0.13016 0.13148 0.13504 0.13629 0.13682 0.14379 0.14538 0.14738 0.15044 0.15357 0.15560 0.15609 0.15692 0.15781 0.16263 0.16532 0.16909 0.17221 0.17290 0.17486 0.17933 0.18185 0.18417 0.18636 0.18782 0.19420 0.19468 0.19669 0.19962 0.20138 0.20237 0.20581 0.20909 0.21017 0.21216 0.21456 0.21657 0.21995 0.22091 0.22336 0.22548 0.22700 0.22800 0.23026 0.23304 0.23640 0.23713 0.23811 0.23914 0.24213 0.24557 0.24571 0.24740 0.24820 0.25109 0.25589 0.25752 0.25929 0.26193 0.26470 0.26627 0.26944 0.27095 0.27207 0.27289 0.27637 0.27683 0.27984 0.28445 0.28601 0.28825 0.29066 0.29255 0.29542 0.29863 0.30112 0.30414 0.30760 0.31139 0.31475 0.31834 0.32115 0.32459 0.32796 0.33135 0.33284 0.33341 0.33639 0.33931 0.34426 0.34851 0.35072 0.35610 0.35921 0.36110 0.36207 0.36516 0.36965 0.37405 0.37544 0.38060 0.38255 0.38781 0.39298 0.39751 0.40005 0.40684 0.41298 0.41871 0.42121 0.43173 0.43862 0.44663 0.45140 0.45691 0.46475 0.46854 0.47510 0.48529 0.48841 0.49135 0.49602 0.49901 0.51066 0.51555 0.51855 0.52760 0.53264 0.53484 0.54171 0.54591 0.55625 0.56414 0.56543 0.56833 0.56956 0.58044 0.58091 0.58549 0.58892 0.59503 0.59733 0.60194 0.60458 0.60854 0.61837 0.61986 0.62432 0.63099 0.63416 0.64172 0.64731 0.65147 0.65638 0.65824 0.66607 0.66871 0.66971 0.67330 0.67774 0.68228 0.68362 0.69036 0.69344 0.69688 0.70096 0.70477 0.70922 0.71185 0.71338 0.71681 0.71990 0.72403 0.72713 0.72827 0.73495 0.74163 0.74263 0.75104 0.75200 0.75792 0.76090 0.76696 0.76810 0.77110 0.77392 0.78299 0.78374 0.79391 0.79453 0.80016 0.80757 0.81198 0.81451 0.81794 0.81859 0.82592 0.82623 0.83493 0.83712 0.84333 0.84739 0.85202 0.85763 0.85919 0.86448 0.87441 0.88427 0.88669 0.89327 0.89910 0.90515 0.91383 0.91791 0.91861 0.92601 0.92881 0.93064 0.94078 0.94821 0.95363 0.96154 0.96357 0.97024 0.97413 0.97986 0.98676 0.99052 0.99774 1.00527 1.01393 1.01563 1.01745 1.02787 1.03493 1.03736 1.04460 1.05125 1.05767 1.05896 1.07240 1.07735 1.07975 1.08696 1.09640 1.09948 1.10639 1.10772 1.11428 1.12514 1.13684 1.14037 1.14783 1.15246 1.15469 1.18148 1.18820 1.19280 1.20459 1.20926 1.22930 1.23723 1.24941 1.25182 1.26988 1.28521 1.29863 1.31239 1.31776 1.32398 1.33182 1.34178 1.34363 1.35982 1.36400 1.37413 1.37938 1.39612 1.39730 1.41167 1.42758 1.43708 1.45696 1.46395 1.47025 1.47825 1.48474 1.49236 1.50662 1.51072 1.51516 1.51832 1.51847 1.52871 1.53192 1.53988 1.55332 1.55721 1.56908 1.57313 1.57522 1.58178 1.58813 1.58867 1.59453 1.60479 1.61368 1.62123 1.62699 1.63114 1.64112 1.64885 1.65757 1.66160 1.66757 1.67417 1.67917 1.68179 1.69148 1.69665 1.70033 1.71288 1.72387 1.72658 1.73121 1.73793 1.73974 1.75077 1.75784 1.76448 1.76808 1.77685 1.79073 1.80290 1.80689 1.81494 1.82181 1.82468 1.82576 1.83913 1.85376 1.85944 1.86325 1.86967 1.88011 1.89416 1.90752 1.91385 1.92022 1.92080 1.93264 1.93990 1.94376 1.94901 1.95765 1.96496 1.97718 1.98143 1.98555 1.99631 2.00279 2.00644 2.01207 2.01710 2.02416 2.03144 2.03892 2.04678 2.05141 2.05608 2.06372 2.06829 2.08091 2.08550 2.09683 2.09774 2.10102 2.11404 2.12286 2.12481 2.14025 2.16740 2.18752 2.20149 2.21470 2.22209 2.23673 2.24317 2.25302 2.26288 2.27439 2.28929 2.30803 2.32009 2.33333 2.34298 2.34745 2.35720 2.35867 2.37601 2.39172 2.40073 2.41316 2.41632 2.42328 2.43922 2.45519 2.45925 2.48014 2.48574 2.49285 2.50524 2.51184 2.51847 2.53386 2.53554 2.55197 2.56817 2.57663 2.59994 2.61514 2.62298 2.63219 2.63583 2.64686 2.65584 2.66014 2.66698 2.67478 2.68337 2.69870 2.71393 2.72039 2.72668 2.73094 2.73421 2.74361 2.75108 2.76024 2.76799 2.76964 2.77966 2.78836 2.79104 2.79633 2.79871 2.81010 2.81454 2.81724 2.82655 2.83135 2.83376 2.85128 2.85822 2.86368 2.86706 2.86860 2.88177 2.88958 2.90272 2.91183 2.91882 2.92248 2.93228 2.94513 2.94812 2.95213 2.97061 2.99124 2.99367 3.00227 3.01325 3.02378 3.04211 3.05025 3.06739 3.07896 3.09825 3.10471 3.10878 3.11283 3.12568 3.14838 3.15713 3.15925 3.17706 3.18225 3.18985 3.20641 3.22082 3.22829 3.24637 3.26597 3.27062 3.31578 3.34611 3.36053 3.37124 3.38584 3.39574 3.40533 3.41205 3.45578 3.46824 3.53075 3.54764 3.55921 3.58201 3.59661 3.62429 3.64639 3.65500 3.69395 3.70119 3.71883 3.72563 3.79355 3.81290 3.83516 3.84490 3.86084 3.90042 3.96994 3.97604 4.00090 4.01317 4.02710 4.04202 4.08949 4.11075 4.14478 4.15914 4.16963 4.17979 4.18359 4.23604 4.24584 4.31623 4.33773 4.54033 4.56342 4.63077 4.84552 4.85425 5.12104 5.14020 5.15280 5.24858 5.42455 5.42724 5.65650 5.87375 5.89588 9.79766 9.83004 23.53605 23.59958 23.62888 23.77586 23.80016 23.87131 23.89003 23.94899 23.96343 23.96395 23.97331 23.98520 23.99878 24.01952 24.07181 24.07799 24.09082 24.10206 24.18175 24.19046 24.19778 24.35476 25.94031 25.98864 26.09550 26.14888 26.62840 26.70083 35.87384 49.92965 49.97796 50.02200 215.79582 215.83314 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 0.115374 0.110623 0.145546 -0.275355 -0.025094 -0.335057 0.537813 0.471406 -0.259285 -0.530999 -0.511745 -1.773264 -0.382555 0.553004 0.522221 1.112598 -0.470596 0.648500 -0.530904 -1.183805 -0.275390 -0.206241 -0.603606 0.091158 -0.269784 0.289506 -0.128482 -0.250878 0.199425 0.208263 0.158225 0.166322 0.165826 0.170437 0.156531 0.171181 0.206023 0.252274 0.199743 0.165192 0.175463 0.170447 0.178018 0.164204 0.165192 0.168135 0.174390 -0.00000 7.76979355e-01 1.04211097e+00 -1.62519251e+00 ./ancestor::cml:module[@dictRef='cc:finalization']/cml:molecule[@id='mol9999'] 1.9749 2.6488 -4.1308 5.2896 -171.8072 -171.9499 -197.6334 9.2580 6.2554 -8.5550 8.6563 8.5136 -17.1699 9.2580 6.2554 -8.5550 -71.6246 54.9735 -49.1484 48.7853 2.0036 -87.8911 80.6082 -50.4388 8.8755 -1.3293 -7684.8293 -6163.7031 -1750.5406 27.3074 281.1078 3.2743 -200.0102 161.4282 -152.7015 -2278.7239 -1765.4744 -1399.3738 -40.7717 83.1322 172.0663 (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A) (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A) (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A) (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(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 -2050.9602989 7.106E-9 2.952E-5 1.5206587,8.7270764,-10.2477351,7.1974583,-6.9633238,6.2963331 C01 [X(C22H19Cl2N1O3)] -0.6471056 -1.0453344 -1.6791287 -0.000025725 0.000017988 0.000047253 -0.000024031 -0.000016444 0.000005820 0.000025163 -0.000030343 0.000086269 0.000027795 -0.000028046 -0.000116296 0.000029899 -0.000029589 0.000046651 -0.000000112 -0.000018399 0.000004174 0.000003924 -0.000012895 -0.000012029 -0.000026056 -0.000018972 -0.000056510 0.000033174 -0.000031023 0.000067180 0.000015631 0.000000956 -0.000033220 0.000006433 0.000025134 -0.000005783 0.000008698 0.000002219 -0.000010051 -0.000035887 0.000019607 0.000032540 0.000026573 0.000077557 -0.000034880 -0.000064753 -0.000067079 -0.000113808 0.000066424 0.000006259 0.000048908 -0.000000658 0.000038565 0.000091688 0.000031601 0.000000713 -0.000013244 -0.000003585 0.000005287 0.000023444 -0.000058363 0.000044791 0.000008047 -0.000013097 0.000025062 0.000003438 0.000031691 -0.000034196 -0.000041817 0.000000977 0.000020837 -0.000021620 -0.000021507 -0.000003976 -0.000056175 -0.000003760 0.000002823 0.000015997 -0.000017206 -0.000044438 -0.000002659 0.000023043 -0.000003014 0.000007750 0.000004000 0.000001510 0.000006862 0.000010776 -0.000026501 -0.000007049 -0.000024175 0.000009579 -0.000002034 0.000002435 0.000030408 0.000004193 -0.000000803 -0.000002590 0.000001878 -0.000006231 -0.000005123 0.000002893 -0.000007820 -0.000003090 0.000003988 -0.000005855 0.000001990 0.000001331 -0.000016017 0.000004506 0.000002968 -0.000017827 0.000019083 0.000007065 -0.000024960 0.000018403 -0.000002578 0.000004159 -0.000019883 -0.000007779 -0.000002666 -0.000015618 -0.000000636 0.000012335 -0.000007947 -0.000003303 0.000005825 -0.000003050 -0.000000549 0.000040278 0.000007701 0.000016150 0.000000507 0.000008692 -0.000002291 -0.000003951 0.000015328 0.000004202 -0.000001101 0.000003939 0.000000665 -0.000005194 0.000013278 0.000002957 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:-2.5409,-.4038,2.1413;-4.7401,-.3688,.2034;1.7672,-1.582,.0476;1.9925,-1.5719,-2.195;1.2835,3.5009,.4064;3.8345,-1.5885,2.6411;-.5886,-3.5011,-.5112;-1.0348,-2.1258,-.0636;-.0845,-2.2614,-1.2598;.3352,-4.2746,.4097;-1.5379,-4.3944,-1.2876;-2.3964,-1.6228,-.2974;1.3072,-1.7813,-1.2113;-3.1094,-.9007,.5641;3.1181,-1.0849,.1711;3.2053,.4021,-.1309;3.503,-1.3783,1.5562;2.1818,1.2457,.2984;4.2989,.9042,-.8348;2.251,2.5993,-.0154;4.3652,2.2693,-1.1114;3.3391,3.1216,-.7114;-.0673,3.1589,.3593;-.6074,2.3671,-.6539;-.878,3.7225,1.3414;-1.9829,2.1391,-.6712;-2.2527,3.496,1.3035;-2.8098,2.7046,.2993;-.5566,-1.778,.8427;-.5155,-2.1205,-2.243;.9649,-3.627,1.018;.9815,-4.9381,-.1732;-.266,-4.8951,1.0809;-.967,-5.15,-1.8348;-2.144,-3.8445,-2.0088;-2.2098,-4.9131,-.597;-2.8705,-1.8583,-1.2434;3.7833,-1.6456,-.4896;1.336,.8517,.8473;5.0823,.2355,-1.1713;5.2097,2.6693,-1.6599;3.3658,4.1808,-.9368;.0315,1.9357,-1.4139;-.4275,4.3321,2.1156;-2.406,1.5166,-1.4509;-2.8858,3.9343,2.0666;-3.8763,2.5196,.2801; Gaussian 16 GINC-HAMILTON25 APULGAR Optimization Cypermethrin CONF15 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:-2.5409,-.4038,2.1413;-4.7401,-.3688,.2034;1.7672,-1.582,.0476;1.9925,-1.5719,-2.195;1.2835,3.5009,.4064;3.8345,-1.5885,2.6411;-.5886,-3.5011,-.5112;-1.0348,-2.1258,-.0636;-.0845,-2.2614,-1.2598;.3352,-4.2746,.4097;-1.5379,-4.3944,-1.2876;-2.3964,-1.6228,-.2974;1.3072,-1.7813,-1.2113;-3.1094,-.9007,.5641;3.1181,-1.0849,.1711;3.2053,.4021,-.1309;3.503,-1.3783,1.5562;2.1818,1.2457,.2984;4.2989,.9042,-.8348;2.251,2.5993,-.0154;4.3652,2.2693,-1.1114;3.3391,3.1216,-.7114;-.0673,3.1589,.3593;-.6074,2.3671,-.6539;-.878,3.7225,1.3414;-1.9829,2.1391,-.6712;-2.2527,3.496,1.3035;-2.8098,2.7046,.2993;-.5566,-1.778,.8427;-.5155,-2.1205,-2.243;.9649,-3.627,1.018;.9815,-4.9381,-.1732;-.266,-4.8951,1.0809;-.967,-5.15,-1.8348;-2.144,-3.8445,-2.0088;-2.2098,-4.9131,-.597;-2.8705,-1.8583,-1.2434;3.7833,-1.6456,-.4896;1.336,.8517,.8473;5.0823,.2355,-1.1713;5.2097,2.6693,-1.6599;3.3658,4.1808,-.9368;.0315,1.9357,-1.4139;-.4275,4.3321,2.1156;-2.406,1.5166,-1.4509;-2.8858,3.9343,2.0666;-3.8763,2.5196,.2801; Optimization Cypermethrin CONF15 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 1.7486 1.7527 1.3551 1.4448 1.2171 1.3881 1.3943 1.1538 1.5136 1.5335 1.5165 1.5172 1.5338 1.4703 1.0821 1.4729 1.0827 1.089 1.0944 1.094 1.0938 1.0908 1.0943 1.3312 1.084 1.5198 1.4672 1.0924 1.3941 1.3941 1.3912 1.0825 1.3944 1.0836 1.3932 1.3927 1.0835 1.0832 1.3947 1.3926 1.3944 1.0826 1.3937 1.0835 1.3948 1.0838 1.3946 1.0841 1.0826 calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|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 47 116.5792 120.3785 117.6106 120.1241 120.5672 115.5825 113.0555 122.467 114.1716 118.6867 114.0713 115.6229 123.918 114.6877 122.0623 116.7498 111.3244 112.837 110.2132 109.0912 108.4538 108.2042 107.9045 109.6469 112.9076 109.8942 107.9057 107.9823 108.3645 125.3613 117.9982 116.6395 122.3048 113.5364 124.1579 113.6946 124.3135 121.9903 111.9225 104.8976 109.9348 111.6031 110.3119 107.977 119.2564 119.8469 120.8962 118.8641 120.6277 120.4939 119.3428 120.1089 120.5449 121.9202 116.91 121.0855 120.4726 119.9278 119.5866 119.307 119.3288 121.3626 122.611 116.164 121.1084 118.9339 120.5167 120.5493 119.2908 119.3145 121.3939 120.6604 119.2055 120.1339 120.3849 119.4188 120.1946 119.6167 120.1604 120.2183 calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically A81 A82 6 6 17 17 15 15 1 1 -1 -2 181.3011 calculate D2E/DX2 analytically|calculate D2E/DX2 analytically 178.765 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 0.8872 -178.7978 76.8844 -161.9345 -46.0721 -41.7088 141.5959 -35.4315 148.4582 -141.6641 6.2643 2.8683 150.7967 3.5933 145.9103 -138.3149 4.0021 -28.9 -150.3032 91.3955 41.3655 -80.0377 161.6609 -175.8451 62.7517 -55.5496 159.0645 38.7153 -82.3934 89.8308 -30.5184 -151.6271 -54.9082 -175.2573 63.634 133.7317 -9.0411 -7.928 -150.7007 140.577 -39.0429 -148.0112 32.3688 -6.9258 173.4543 -54.1198 126.2019 17.9274 -161.7508 162.4813 -17.197 0.5679 -178.9362 -179.8075 0.6884 38.3862 -141.3556 -78.8358 101.4225 161.1286 -18.6132 -178.1889 0.4442 1.55 -179.8168 179.7086 0.369 -0.0288 -179.3685 -178.4691 -1.9103 2.8958 179.4546 -1.174 -179.8574 178.1628 -0.5207 177.4632 -2.9939 0.7386 -179.7185 0.8258 -178.7075 179.5137 -0.0196 -176.1437 3.9288 -0.2215 179.8509 175.7902 -3.8866 -0.3831 179.9401 0.7049 -179.4027 -179.3675 0.5249 0.5136 -179.9594 -179.8166 -0.2895 -0.5784 -179.7989 179.5302 0.3096 -0.0393 179.1807 -179.5627 -0.3426 calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|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. 0.00012 0.00127 0.00157 0.00206 0.00244 0.00490 0.01162 0.01572 0.01630 0.01716 0.01739 0.01775 0.01791 0.01818 0.01885 0.01956 0.01987 0.02087 0.02220 0.02254 0.02278 0.02326 0.02469 0.02535 0.02565 0.02746 0.02787 0.02814 0.02842 0.02972 0.03007 0.03194 0.03345 0.04317 0.04342 0.04537 0.04562 0.04659 0.05454 0.05991 0.06173 0.06325 0.07211 0.07384 0.07697 0.08501 0.09670 0.10244 0.10622 0.10750 0.11053 0.11154 0.11370 0.11658 0.11732 0.11841 0.12073 0.12113 0.12265 0.12335 0.12398 0.12486 0.12983 0.13801 0.14320 0.14760 0.15838 0.15970 0.16525 0.17449 0.18020 0.18038 0.18298 0.18958 0.19251 0.19296 0.19309 0.19465 0.19729 0.20541 0.21640 0.21808 0.22696 0.23844 0.24671 0.25616 0.25834 0.26736 0.28604 0.29209 0.29731 0.29966 0.30192 0.31702 0.32163 0.32702 0.32975 0.33067 0.33090 0.33338 0.33567 0.33779 0.34430 0.34706 0.35551 0.35566 0.35666 0.35781 0.35799 0.35851 0.35964 0.35998 0.36004 0.36075 0.36101 0.36166 0.36399 0.36804 0.39103 0.40066 0.40908 0.43288 0.43530 0.45977 0.46144 0.46458 0.46645 0.47073 0.48867 0.50775 0.52023 0.62085 0.79379 1.21022 2.30374 Angle between quadratic step and forces= 86.33 degrees. 1 2 3 0.00817637 0.00013593 0.00000001 0.00001856 0.00000010 0.00000010 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 3.30444 3.31210 2.56069 2.73027 2.29996 2.62308 2.63477 2.18038 2.86025 2.89784 2.86571 2.86707 2.89840 2.77845 2.04485 2.78347 2.04596 2.05791 2.06820 2.06745 2.06699 2.06123 2.06796 2.51556 2.04845 2.87210 2.77259 2.06437 2.63453 2.63453 2.62893 2.04558 2.63498 2.04774 2.63285 2.63175 2.04753 2.04695 2.63557 2.63160 2.63499 2.04576 2.63377 2.04751 2.63575 2.04803 2.63550 2.04861 2.04589 2.03469 2.10100 2.05269 2.09656 2.10429 2.01729 1.97319 2.13745 1.99267 2.07147 1.99092 2.01800 2.16278 2.00168 2.13039 2.03767 1.94298 1.96938 1.92358 1.90400 1.89288 1.88852 1.88329 1.91370 1.97061 1.91802 1.88331 1.88465 1.89132 2.18797 2.05946 2.03574 2.13462 1.98158 2.16696 1.98435 2.16968 2.12913 1.95342 1.83081 1.91872 1.94784 1.92531 1.88455 2.08142 2.09172 2.11004 2.07457 2.10535 2.10301 2.08293 2.09630 2.10391 2.12791 2.04047 2.11334 2.10264 2.09314 2.08718 2.08230 2.08268 2.11818 2.13996 2.02744 2.11374 2.07579 2.10341 2.10398 2.08202 2.08243 2.11872 2.10592 2.08053 2.09673 2.10111 2.08425 2.09779 2.08771 2.09719 2.09820 3.16430 3.12004 0.01549 -3.12061 1.34189 -2.82629 -0.80411 -0.72796 2.47132 -0.61840 2.59108 -2.47250 0.10933 0.05006 2.63190 0.06272 2.54662 -2.41405 0.06985 -0.50440 -2.62329 1.59515 0.72196 -1.39692 2.82152 -3.06908 1.09522 -0.96952 2.77620 0.67571 -1.43804 1.56784 -0.53265 -2.64639 -0.95833 -3.05882 1.11062 2.33406 -0.15780 -0.13837 -2.63022 2.45353 -0.68143 -2.58328 0.56494 -0.12088 3.02735 -0.94457 2.20264 0.31289 -2.82308 2.83583 -0.30014 0.00991 -3.12303 -3.13823 0.01201 0.66996 -2.46712 -1.37594 1.77016 2.81222 -0.32486 -3.10998 0.00775 0.02705 -3.13840 3.13651 0.00644 -0.00050 -3.13057 -3.11487 -0.03334 0.05054 3.13207 -0.02049 -3.13910 3.10953 -0.00909 3.09732 -0.05225 0.01289 -3.13668 0.01441 -3.11903 3.13310 -0.00034 -3.07429 0.06857 -0.00387 3.13899 3.06812 -0.06783 -0.00669 3.14055 0.01230 -3.13117 -3.13055 0.00916 0.00896 -3.14088 -3.13839 -0.00505 -0.01010 -3.13808 3.13339 0.00540 -0.00069 3.12729 -3.13396 -0.00598 0.00004 0.00001 0.00008 -0.00003 0.00011 -0.00001 0.00003 0.00001 0.00002 -0.00006 -0.00001 -0.00001 -0.00002 0.00005 -0.00001 -0.00003 0.00001 0.00002 0.00000 0.00001 -0.00000 -0.00000 0.00001 0.00006 -0.00000 0.00001 0.00008 -0.00002 -0.00004 -0.00002 -0.00002 0.00000 0.00004 0.00000 0.00004 0.00001 0.00001 0.00000 0.00004 0.00001 0.00004 0.00001 -0.00001 0.00000 0.00002 -0.00001 0.00001 0.00000 0.00001 0.00004 -0.00008 -0.00001 -0.00001 -0.00004 0.00001 0.00003 0.00005 -0.00004 0.00004 -0.00003 -0.00001 -0.00003 0.00001 -0.00002 -0.00002 0.00002 -0.00003 0.00001 0.00001 0.00001 0.00001 -0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00008 -0.00001 -0.00006 0.00010 -0.00007 -0.00003 -0.00004 0.00008 -0.00005 -0.00012 0.00004 0.00005 -0.00002 0.00004 0.00003 -0.00013 0.00013 -0.00000 0.00005 -0.00004 -0.00001 -0.00002 -0.00000 0.00002 -0.00006 0.00010 -0.00004 0.00001 -0.00001 0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00001 -0.00004 0.00004 -0.00000 0.00001 -0.00000 -0.00002 0.00002 -0.00000 0.00001 -0.00000 -0.00001 0.00001 0.00000 -0.00001 0.00001 0.00003 0.00009 0.00011 0.00003 -0.00004 0.00003 0.00002 0.00001 0.00001 -0.00001 -0.00004 -0.00002 -0.00001 0.00000 -0.00000 0.00001 -0.00002 -0.00000 0.00001 0.00001 0.00001 -0.00001 -0.00000 -0.00001 -0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00001 -0.00000 0.00001 0.00001 0.00001 -0.00002 -0.00001 -0.00002 -0.00000 0.00001 0.00001 0.00001 0.00001 -0.00000 -0.00000 -0.00000 0.00001 0.00001 0.00002 -0.00002 -0.00000 -0.00002 0.00004 -0.00002 0.00004 -0.00003 -0.00001 0.00001 0.00004 -0.00003 -0.00000 0.00003 0.00002 0.00001 -0.00001 -0.00004 -0.00002 -0.00001 0.00000 -0.00001 -0.00000 0.00001 0.00002 0.00000 0.00001 -0.00001 -0.00001 -0.00001 -0.00000 -0.00001 -0.00000 0.00001 0.00000 0.00000 -0.00000 -0.00003 -0.00001 -0.00001 0.00001 0.00002 0.00002 0.00000 0.00000 0.00001 0.00000 -0.00001 -0.00001 -0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00008 0.00015 0.00014 -0.00001 0.00011 0.00029 -0.00019 0.00000 0.00005 -0.00022 0.00002 -0.00009 0.00011 -0.00002 -0.00003 0.00001 0.00003 0.00005 0.00000 0.00001 -0.00000 -0.00001 0.00003 0.00010 0.00000 -0.00001 0.00026 -0.00009 -0.00007 0.00004 -0.00011 0.00011 -0.00003 0.00001 -0.00014 0.00011 0.00001 0.00000 0.00009 0.00025 0.00018 -0.00005 -0.00021 0.00001 -0.00012 -0.00002 0.00008 0.00002 -0.00002 0.00012 -0.00026 -0.00007 0.00009 -0.00053 0.00017 0.00016 0.00041 -0.00032 0.00026 -0.00027 -0.00001 0.00014 -0.00000 -0.00001 -0.00025 0.00005 -0.00020 0.00001 0.00015 0.00001 0.00003 0.00001 0.00004 0.00002 0.00001 -0.00002 -0.00002 -0.00003 0.00035 0.00009 -0.00044 0.00023 -0.00013 -0.00010 -0.00010 0.00037 -0.00028 -0.00039 -0.00009 0.00017 -0.00024 0.00021 0.00036 -0.00034 0.00059 -0.00026 0.00017 0.00011 -0.00029 0.00018 -0.00018 -0.00001 -0.00119 0.00110 0.00006 -0.00007 -0.00004 0.00011 -0.00008 0.00006 0.00002 0.00101 -0.00082 -0.00013 -0.00003 0.00003 -0.00000 0.00006 -0.00003 -0.00003 0.00009 -0.00005 -0.00004 0.00009 -0.00002 -0.00008 -0.00009 0.00015 -0.00006 -0.00017 0.00013 0.00254 0.00245 -0.00044 -0.00101 -0.00056 -0.01803 -0.01757 0.01723 0.01621 -0.00048 -0.00037 -0.00011 0.00001 -0.00023 0.00011 0.00001 0.00035 0.00143 0.00155 0.00144 0.00132 0.00143 0.00133 0.00110 0.00122 0.00111 0.00147 0.00145 0.00148 0.00128 0.00126 0.00128 0.00176 0.00174 0.00176 -0.00055 -0.00021 -0.00049 -0.00015 0.00634 0.00650 0.00647 0.00662 0.00631 0.00647 0.00015 0.00006 0.00026 0.00017 -0.00016 -0.00025 0.00048 0.00212 0.00034 0.00198 0.00475 0.00598 0.00528 0.00651 0.00484 0.00608 0.00101 0.00062 -0.00024 -0.00063 -0.00141 -0.00108 -0.00015 0.00018 0.00104 0.00059 0.00142 0.00097 0.00020 0.00017 -0.00013 -0.00016 -0.00106 -0.00081 -0.00055 -0.00030 0.00015 -0.00011 0.00017 -0.00008 -0.00082 -0.00076 0.00022 0.00028 0.00094 0.00107 -0.00011 0.00002 -0.00007 -0.00011 -0.00013 -0.00017 -0.00015 -0.00000 -0.00028 -0.00014 -0.00019 -0.00004 -0.00015 0.00000 0.00030 0.00015 0.00015 0.00000 0.00008 0.00015 0.00014 -0.00001 0.00011 0.00029 -0.00019 0.00000 0.00005 -0.00022 0.00002 -0.00009 0.00011 -0.00002 -0.00003 0.00001 0.00003 0.00005 0.00000 0.00001 -0.00000 -0.00001 0.00003 0.00010 0.00000 -0.00001 0.00026 -0.00009 -0.00007 0.00004 -0.00011 0.00011 -0.00003 0.00001 -0.00014 0.00011 0.00001 0.00000 0.00009 0.00025 0.00018 -0.00005 -0.00021 0.00001 -0.00012 -0.00002 0.00008 0.00002 -0.00002 0.00012 -0.00026 -0.00007 0.00009 -0.00053 0.00017 0.00016 0.00041 -0.00032 0.00026 -0.00027 -0.00001 0.00014 -0.00000 -0.00001 -0.00025 0.00005 -0.00020 0.00001 0.00015 0.00001 0.00003 0.00001 0.00004 0.00002 0.00001 -0.00002 -0.00002 -0.00003 0.00035 0.00009 -0.00044 0.00023 -0.00013 -0.00010 -0.00010 0.00037 -0.00028 -0.00039 -0.00009 0.00017 -0.00024 0.00021 0.00036 -0.00034 0.00059 -0.00026 0.00017 0.00011 -0.00029 0.00018 -0.00018 -0.00001 -0.00119 0.00110 0.00006 -0.00007 -0.00004 0.00011 -0.00008 0.00006 0.00002 0.00101 -0.00082 -0.00013 -0.00003 0.00003 -0.00000 0.00006 -0.00003 -0.00003 0.00009 -0.00005 -0.00004 0.00009 -0.00002 -0.00008 -0.00009 0.00015 -0.00006 -0.00017 0.00013 0.00254 0.00245 -0.00044 -0.00101 -0.00056 -0.01803 -0.01757 0.01723 0.01621 -0.00048 -0.00037 -0.00011 0.00001 -0.00023 0.00011 0.00001 0.00035 0.00143 0.00155 0.00144 0.00132 0.00143 0.00133 0.00110 0.00122 0.00111 0.00147 0.00145 0.00148 0.00128 0.00126 0.00128 0.00176 0.00174 0.00176 -0.00055 -0.00021 -0.00049 -0.00015 0.00634 0.00650 0.00647 0.00662 0.00631 0.00647 0.00015 0.00006 0.00026 0.00017 -0.00016 -0.00025 0.00048 0.00212 0.00034 0.00198 0.00475 0.00598 0.00528 0.00651 0.00484 0.00608 0.00101 0.00062 -0.00024 -0.00063 -0.00141 -0.00108 -0.00015 0.00018 0.00104 0.00059 0.00142 0.00097 0.00020 0.00017 -0.00013 -0.00016 -0.00106 -0.00081 -0.00055 -0.00030 0.00015 -0.00011 0.00017 -0.00008 -0.00082 -0.00076 0.00022 0.00028 0.00094 0.00107 -0.00011 0.00002 -0.00007 -0.00011 -0.00013 -0.00017 -0.00015 -0.00000 -0.00028 -0.00014 -0.00019 -0.00004 -0.00015 0.00000 0.00030 0.00015 0.00015 0.00000 3.30452 3.31226 2.56083 2.73026 2.30007 2.62337 2.63458 2.18038 2.86030 2.89762 2.86574 2.86699 2.89850 2.77842 2.04482 2.78347 2.04599 2.05796 2.06820 2.06746 2.06698 2.06123 2.06799 2.51566 2.04845 2.87208 2.77286 2.06427 2.63446 2.63457 2.62882 2.04569 2.63495 2.04775 2.63271 2.63186 2.04755 2.04695 2.63566 2.63186 2.63517 2.04571 2.63356 2.04752 2.63564 2.04801 2.63559 2.04863 2.04587 2.03481 2.10075 2.05263 2.09665 2.10377 2.01747 1.97335 2.13786 1.99235 2.07173 1.99065 2.01799 2.16292 2.00168 2.13037 2.03742 1.94303 1.96917 1.92359 1.90415 1.89289 1.88855 1.88330 1.91374 1.97063 1.91802 1.88329 1.88463 1.89128 2.18832 2.05955 2.03530 2.13485 1.98146 2.16686 1.98424 2.17005 2.12885 1.95303 1.83072 1.91889 1.94760 1.92552 1.88491 2.08108 2.09231 2.10978 2.07474 2.10546 2.10272 2.08310 2.09612 2.10390 2.12672 2.04157 2.11340 2.10258 2.09309 2.08729 2.08222 2.08274 2.11819 2.14098 2.02662 2.11361 2.07576 2.10345 2.10398 2.08208 2.08240 2.11869 2.10602 2.08048 2.09669 2.10121 2.08424 2.09772 2.08762 2.09734 2.09814 3.16413 3.12017 0.01802 -3.11816 1.34145 -2.82730 -0.80467 -0.74599 2.45374 -0.60116 2.60730 -2.47299 0.10897 0.04995 2.63191 0.06249 2.54673 -2.41404 0.07020 -0.50297 -2.62174 1.59659 0.72328 -1.39549 2.82284 -3.06798 1.09644 -0.96842 2.77767 0.67716 -1.43656 1.56912 -0.53139 -2.64511 -0.95657 -3.05708 1.11239 2.33351 -0.15801 -0.13886 -2.63038 2.45988 -0.67493 -2.57681 0.57156 -0.11456 3.03381 -0.94442 2.20270 0.31315 -2.82291 2.83567 -0.30039 0.01039 -3.12090 -3.13790 0.01399 0.67471 -2.46114 -1.37067 1.77667 2.81707 -0.31878 -3.10898 0.00837 0.02681 -3.13902 3.13510 0.00536 -0.00065 -3.13039 -3.11383 -0.03275 0.05197 3.13305 -0.02029 -3.13893 3.10939 -0.00925 3.09626 -0.05306 0.01234 -3.13698 0.01456 -3.11914 3.13328 -0.00043 -3.07511 0.06781 -0.00364 3.13927 3.06906 -0.06677 -0.00680 3.14056 0.01223 -3.13128 -3.13068 0.00899 0.00881 -3.14089 -3.13867 -0.00519 -0.01028 -3.13812 3.13324 0.00541 -0.00039 3.12744 -3.13381 -0.00598 |Maximum Force|RMS Force|Maximum Displacement|RMS Displacement| 0.000133 0.000031 0.035874 0.008181 0.000450 0.000300 0.001800 0.001200 YES YES NO NO -6.414381e-07 6-311+G(d,p) (5D, 7F) 0.10000e-02 0.10000e-05 F 774 A 746 A 746 1194 774 108 108 2920.2834746833 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 -0.0593365309 PCM SMD-Coulomb. Total charges None Matrix inversion Water 78.355300 1.777849 0.000000 2.931365 0.000000 4.932741 6.621262 0.000000 6.381235 7.247597 2.253943 0.000000 5.734353 7.162375 5.118469 5.744772 0.000000 6.503854 8.997463 3.316646 5.175083 6.115833 0.000000 4.521133 5.249437 3.089511 3.635891 7.305807 5.758432 0.000000 3.177328 4.109452 2.856416 3.743556 6.103657 5.595928 1.513581 0.000000 4.588328 5.234274 2.366397 2.379916 6.152382 5.570390 1.533472 1.533765 0.000000 5.123828 6.407487 3.071110 4.103198 7.833096 4.943685 1.516471 2.591943 2.648858 0.000000 5.356130 5.355561 4.540462 4.610200 8.553646 7.222952 1.517188 2.626363 2.581214 2.530537 0.000000 2.730228 2.704818 4.178102 4.781870 6.347385 6.889196 2.615710 1.470291 2.584407 3.872164 3.065798 0.000000 5.286343 6.369139 1.355059 1.217088 5.524414 4.611483 2.653652 2.630686 1.472947 3.128700 3.863710 3.817974 0.000000 1.748633 1.752690 4.951045 5.838935 6.220667 7.280541 3.777975 2.489819 3.785334 4.824173 4.254921 1.331179 4.840877 0.000000 6.030814 7.890842 1.444798 2.665061 4.944694 2.620689 4.477045 4.287800 3.699823 4.239856 5.895712 5.560502 2.382350 6.242693 0.000000 6.231519 7.989723 2.457041 3.102930 3.685656 3.470241 5.456573 4.936936 4.380871 5.513802 6.844180 5.958829 3.088339 6.485113 1.519848 0.000000 6.149854 8.414083 2.308694 4.048486 5.482141 1.153806 5.051883 4.875802 4.645401 4.442755 6.526430 6.188557 3.555660 6.703458 1.467193 2.470746 0.000000 5.331136 7.108292 2.868986 3.767195 2.429845 4.031472 5.555460 4.673784 4.456930 5.822060 6.939895 5.435367 3.493889 5.716168 2.514878 1.394134 3.195754 0.000000 7.573114 9.187086 3.656497 3.647019 4.168421 4.302502 6.587890 6.182577 5.423701 6.639335 7.896145 7.176528 4.037912 7.752345 2.522420 1.394135 3.400030 2.425541 0.000000 6.052461 7.598205 4.209690 4.713374 1.388076 5.205964 6.747160 5.755414 5.534400 7.148520 8.055149 6.285215 4.637972 6.428050 3.789391 2.398221 4.456234 1.391169 2.781845 0.000000 8.088302 9.570538 4.788100 4.643096 3.649298 5.407928 7.628809 7.040925 6.352120 7.834400 8.904074 7.844163 5.076349 8.290165 3.801358 2.406880 4.600455 2.793356 1.394370 2.404195 0.000000 7.425664 8.848293 5.017086 5.103210 2.370324 5.802591 7.702419 6.861851 6.402996 8.061272 8.978115 7.454951 5.330784 7.706404 4.303705 2.783949 5.041590 2.424451 2.419366 1.393242 1.392661 0.000000 4.688997 5.856934 5.093036 5.757378 1.394261 6.555043 6.736850 5.389105 5.657001 7.444536 7.869339 5.359141 5.363004 5.077045 5.309592 4.306979 5.896180 2.953339 5.057031 2.414159 4.754153 3.570881 0.000000 4.385155 5.029868 4.661200 4.964890 2.446440 6.799610 5.870017 4.551630 4.697241 6.792069 6.854581 4.387164 4.602828 4.292117 5.145503 4.321044 5.983912 3.153371 5.122964 2.938012 4.994578 4.018311 1.394683 0.000000 4.520112 5.740176 6.067055 6.983990 2.365491 7.218307 7.463005 6.016725 6.572927 8.142076 8.557484 5.793394 6.448515 5.192040 6.359975 5.464963 6.727309 4.072382 6.283236 3.590691 5.968206 4.728475 1.392585 2.427213 0.000000 3.832458 3.828431 5.331711 5.647790 3.699297 7.662173 5.812247 4.411085 4.828610 6.904911 6.577600 3.803012 5.146502 3.469210 6.092940 5.497870 6.886771 4.368358 6.404146 4.309003 6.364697 5.412002 2.402317 1.394374 2.788919 0.000000 3.999170 4.725919 6.597228 7.479608 3.648235 8.043361 7.417683 5.912431 6.664820 8.238824 8.335630 5.365234 6.844498 4.539999 7.149287 6.435780 7.546507 5.073287 7.362971 4.777730 7.150763 5.955453 2.404352 2.795127 1.393731 2.411038 0.000000 3.623161 3.630592 6.275993 6.897278 4.171442 8.249989 6.640929 5.159008 5.875378 7.655893 7.384563 4.387888 6.273394 3.627398 7.036844 6.455107 7.622385 5.200408 7.420381 5.071684 7.325369 6.245314 2.780508 2.423477 2.419476 1.394781 1.394648 0.000000 2.740867 4.460464 2.463883 3.970911 5.607393 4.748969 2.191603 1.082088 2.208442 2.686233 3.513746 2.169953 2.773533 2.713708 3.799388 4.455675 4.141149 4.115562 5.795240 5.270620 6.665103 6.449606 4.984538 4.407289 5.532387 4.435062 5.559135 5.046371 0.000000 5.125596 5.186583 3.278356 2.567771 6.469609 6.562047 2.215988 2.240413 1.082675 3.521432 2.669920 2.751543 2.121695 4.012034 4.483705 4.966826 5.579655 5.006565 5.857554 5.906971 6.661266 6.684548 5.902978 4.761601 6.864420 4.771673 6.865936 5.916889 3.104897 0.000000 4.893042 6.620121 2.401459 3.950019 7.161138 3.876210 2.183458 2.724341 2.855582 1.089001 3.488333 4.128608 2.914276 4.923326 3.437450 4.751126 3.433394 5.073643 5.922884 6.441131 7.131798 7.360078 6.895445 6.418448 7.583917 6.692590 7.821217 7.406360 2.400952 3.885190 0.000000 6.190695 7.331895 3.453892 4.054813 8.464263 5.223082 2.155083 3.462153 3.079243 1.094442 2.807988 4.734658 3.338990 5.794856 4.419450 5.784954 4.692685 6.316893 6.751030 7.645190 8.017278 8.414685 8.181988 7.491470 8.986547 7.689152 9.152872 8.544517 3.658454 3.803104 1.771514 0.000000 5.145060 6.424518 4.022193 5.184258 8.564373 5.493877 2.140538 3.093534 3.528215 1.094045 2.734619 4.140804 4.174268 4.930279 5.176712 6.448217 5.176807 6.656860 7.625040 7.981414 8.808140 8.970871 8.088676 7.474352 8.643229 7.449691 8.625956 8.052176 3.139685 4.336899 1.768408 1.769451 0.000000 6.388559 6.422643 4.873431 4.657483 9.215548 7.468197 2.148066 3.505418 3.074673 2.738630 1.093802 4.104662 4.112055 5.329337 6.102302 7.151140 6.760627 7.441209 8.086093 8.585922 9.165312 9.392793 8.640713 7.617860 9.424341 7.451063 9.287420 8.345432 4.325297 3.090050 3.767017 2.569538 3.009622 0.000000 5.405518 4.869725 4.964386 4.723390 8.457891 7.902796 2.186304 2.822807 2.703456 3.490025 1.090758 2.815798 4.099182 4.027180 6.329106 7.083496 7.118947 7.067258 8.089521 8.050607 8.975192 8.959572 7.679086 6.540774 8.371767 6.133495 8.053992 6.975841 3.862794 2.383074 4.344377 3.785984 3.765171 1.766290 0.000000 5.285980 5.262434 5.227643 5.601557 9.165430 7.620541 2.151589 3.071539 3.462353 2.810352 1.094319 3.309172 4.749171 4.272808 6.605498 7.602166 7.054575 7.617019 8.732818 8.756311 9.751044 9.765223 8.406044 7.454712 8.950109 7.056284 8.621290 7.693698 3.825512 3.657686 3.786942 3.219417 2.567854 1.770029 1.771842 0.000000 3.698680 2.794143 4.821941 4.963508 6.978427 7.753664 2.905461 2.198450 2.815041 4.341330 2.865161 1.083993 4.178483 2.059388 6.201804 6.577438 6.977717 6.126778 7.694103 6.899833 8.331275 7.977523 5.966464 4.829449 6.465027 4.134621 5.961307 4.817072 3.116390 2.571768 4.790799 5.046564 4.626799 3.848146 2.249155 3.191530 0.000000 6.961265 8.646248 2.087359 2.473942 5.791173 3.131707 4.749381 4.860586 3.991465 4.428280 6.042108 6.182692 2.582649 7.012452 1.092415 2.157775 2.082157 3.397884 2.624277 4.537813 4.006467 4.793000 6.215356 5.950345 7.341415 6.899677 8.129204 7.938225 4.541700 4.666782 3.760548 4.334813 5.424238 6.054397 6.501927 6.826780 6.699647 0.000000 4.275707 6.230848 2.597742 3.944584 2.686156 3.926173 4.949387 3.913515 4.018593 5.241355 6.351223 4.622171 3.342320 4.786782 2.717195 2.157087 3.189149 1.082476 3.407471 2.153007 3.875827 3.405009 2.744215 2.885644 3.658938 3.870198 4.481033 4.574037 3.239949 4.670307 4.497242 5.889711 5.970473 6.965500 6.505527 6.920364 5.423057 3.743319 0.000000 8.336458 9.936554 3.972316 3.723074 5.251953 4.406666 6.823326 6.649932 5.739199 6.736179 8.079394 7.755561 4.280299 8.450320 2.720924 2.152561 3.540885 3.405018 1.083617 3.865270 2.157377 3.403000 6.116229 6.097923 7.348385 7.334274 8.399909 8.399150 6.317291 6.167238 6.055149 6.676770 7.745987 8.126431 8.340711 8.945020 8.224136 2.385544 4.299900 0.000000 9.163271 10.568859 5.730671 5.350178 4.513956 6.206339 8.544872 8.033357 7.245757 8.732847 9.775734 8.839232 5.936292 9.321988 4.671290 3.390504 5.444161 3.876857 2.150759 3.385743 1.083507 2.145589 5.671329 5.911178 6.868549 7.279578 8.071701 8.255464 7.700133 7.487379 8.051879 8.829573 9.732225 9.966220 9.830014 10.661742 9.271611 4.692863 4.959326 2.485672 0.000000 8.085934 9.365065 6.060908 6.046634 2.569479 6.804803 8.650448 7.739521 7.315110 9.082464 9.884464 8.203264 6.313488 8.366761 5.386594 3.866936 6.093960 3.397367 3.408331 2.143101 2.164039 1.083200 3.809276 4.376718 4.838384 5.731267 6.087300 6.468804 7.352463 7.515131 8.399186 9.456329 9.981617 10.326867 9.793504 10.672476 8.686548 5.858399 4.287848 4.308927 2.491443 0.000000 4.972908 5.540223 4.186067 4.093707 2.707589 6.582279 5.545995 4.410841 4.201504 6.479597 6.522891 4.450149 3.935044 4.671467 4.600348 3.751161 5.644003 2.834057 4.428373 2.706033 4.357101 3.583302 2.156494 1.082571 3.407589 2.156559 3.877684 3.405798 4.385110 4.176027 6.142334 7.049156 7.278176 7.168072 6.204604 7.252328 4.779614 5.268354 2.826635 5.334864 5.235750 4.047977 0.000000 5.186082 6.659816 6.638552 7.700302 2.557380 7.313990 8.263477 6.842640 7.415237 8.807196 9.432162 6.720101 7.172964 6.081251 6.759888 5.804206 6.954831 4.431276 6.541764 3.836451 6.135104 4.862563 2.142603 3.400530 1.083498 3.872237 2.165580 3.409227 6.242587 7.787270 8.154163 9.651978 9.286416 10.286287 9.317409 9.798362 7.454661 7.762135 4.102710 7.612164 6.985537 4.871300 4.290839 0.000000 4.075472 3.426260 5.409475 5.425769 4.582497 8.082689 5.418766 4.131757 4.438357 6.671825 5.976566 3.344566 4.972039 3.224568 6.317749 5.871206 7.234492 4.917393 6.760952 4.992027 6.821379 6.010681 3.382797 2.143266 3.872659 1.083773 3.395316 2.153537 4.419779 4.174924 6.626762 7.400688 7.217939 6.830933 5.396425 6.489080 3.413025 7.016396 4.441415 7.602259 7.705295 6.377775 2.473497 4.955929 0.000000 4.352422 5.042500 7.493789 8.501585 4.508588 8.717474 8.198021 6.684965 7.569648 8.972519 9.079329 6.058828 7.809870 5.067999 8.051836 7.376092 8.324670 6.002915 8.319840 5.701184 8.090072 6.864859 3.385229 3.879193 2.145229 3.396030 1.084080 2.154314 6.289143 7.800771 8.549895 9.934417 9.262470 10.071152 8.813033 9.264342 6.671637 9.063432 5.367809 9.362514 9.001326 6.939989 4.961748 2.490714 4.295121 0.000000 3.713958 3.015777 6.980502 7.570333 5.253872 9.050342 6.905394 5.456406 6.293482 7.994681 7.465188 4.436577 6.898650 3.516681 7.869360 7.402883 8.442507 6.190626 8.407606 6.134988 8.361980 7.308040 3.863116 3.403199 3.400496 2.152874 2.153367 1.082636 5.459515 6.260386 7.858924 8.911885 8.285744 8.471160 6.981588 7.667567 4.743324 8.752765 5.502065 9.358533 9.292076 7.529231 4.299050 4.306802 2.482806 2.484767 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:2.7313,-.5552,1.7823;4.6892,-.9172,-.3692;-1.2456,1.9463,.2794;-1.6321,2.2724,-1.9171;-2.1201,-3.0929,.0774;-3.0356,2.1657,3.0629;1.4907,3.2452,-.3293;1.583,1.7568,-.0702;.6176,2.2805,-1.1408;.8802,4.111,.7557;2.5844,3.9517,-1.1081;2.738,.9519,-.4943;-.8442,2.1742,-.9947;3.2931,-.0308,.2115;-2.6673,1.8038,.4935;-3.1731,.4391,.0558;-2.8546,2.0129,1.9336;-2.3848,-.6868,.2893;-4.4108,.3278,-.5761;-2.8384,-1.9268,-.1487;-4.8619,-.9286,-.9788;-4.0756,-2.0599,-.7754;-.7345,-3.1085,-.0766;-.0787,-2.3641,-1.0569;-.0341,-3.9796,.7541;1.3022,-2.4991,-1.1954;1.344,-4.1132,.5951;2.0168,-3.3747,-.3781;1.0981,1.435,.8421;.9202,2.1558,-2.1728;.1468,3.578,1.3591;.3943,4.9859,.3127;1.6744,4.467,1.4187;2.1984,4.891,-1.5145;2.9649,3.3576,-1.94;3.4206,4.1896,-.4434;3.186,1.1722,-1.4565;-3.2047,2.5947,-.0347;-1.4258,-.5958,.783;-5.0086,1.2127,-.7604;-5.8214,-1.0257,-1.4729;-4.4028,-3.0398,-1.1011;-.633,-1.6915,-1.699;-.5727,-4.543,1.5067;1.8176,-1.9154,-1.9493;1.8912,-4.7912,1.2402;3.0893,-3.4707,-.4904; 0.1815318 0.1395481 0.0938246 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= 1.15D-06 NBF= 746 NBsUse= 745 1.00D-06 EigRej= 6.47D-07 NBFU= 745 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= 761 761 761 761 761 MxSgAt= 47 MxSgA2= 47. 1 Closed 1 1 1 -2050.96029894928 -2050.96029895 1 2.043974707109e+03 -1.065886771567e+04 3.643691361380e+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= 760000000 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= 6.88D-14 1.00D-09 XBig12= 3.38D+02 5.47D+00. AX will form 141 AO Fock derivatives at one time. 141 vectors produced by pass 1 Test12= 6.88D-14 1.00D-09 XBig12= 6.01D+01 1.19D+00. 141 vectors produced by pass 2 Test12= 6.88D-14 1.00D-09 XBig12= 1.92D+00 7.16D-02. 141 vectors produced by pass 3 Test12= 6.88D-14 1.00D-09 XBig12= 8.87D-03 7.29D-03. 141 vectors produced by pass 4 Test12= 6.88D-14 1.00D-09 XBig12= 2.48D-05 2.95D-04. 133 vectors produced by pass 5 Test12= 6.88D-14 1.00D-09 XBig12= 5.03D-08 1.22D-05. 58 vectors produced by pass 6 Test12= 6.88D-14 1.00D-09 XBig12= 7.87D-11 6.18D-07. 3 vectors produced by pass 7 Test12= 6.88D-14 1.00D-09 XBig12= 1.07D-13 2.09D-08. InvSVY: IOpt=1 It= 1 EMax= 3.55D-14 Solved reduced A of dimension 899 with 144 vectors. FullF1: Do perturbations 1 to 3. Isotropic polarizability for W= 0.000000 426.18 Bohr**3. End of Minotr F.D. properties file 721 does not exist. 472.243 -44.096 425.415 18.117 -30.249 380.886 484.638 -42.577 440.817 21.830 -37.300 418.563 (Enter /usr/local/gaussian/gaussian16/g16/l716.exe) PT155011.100S 2024-10-12T03:27:41.000 -101.57151 -101.57096 -19.19302 -19.17336 -19.13236 -14.33726 -10.32589 -10.29168 -10.28707 -10.24883 -10.24322 -10.23714 -10.20939 -10.20696 -10.20073 -10.20021 -10.19978 -10.18731 -10.18612 -10.18381 -10.18356 -10.17900 -10.17874 -10.17827 -10.17683 -10.17184 -10.16026 -10.15847 -9.48615 -9.48550 -7.25094 -7.25034 -7.24079 -7.24058 -7.24011 -7.23994 -1.13438 -1.08744 -1.04502 -0.93667 -0.92313 -0.89575 -0.88069 -0.86110 -0.84280 -0.81699 -0.77376 -0.77206 -0.75707 -0.75428 -0.73915 -0.72883 -0.69314 -0.67166 -0.64813 -0.63147 -0.61586 -0.60033 -0.59468 -0.58224 -0.56336 -0.55837 -0.54237 -0.51863 -0.50868 -0.50508 -0.49473 -0.49012 -0.48706 -0.48409 -0.47714 -0.46760 -0.45536 -0.44669 -0.44199 -0.43965 -0.43077 -0.42834 -0.41921 -0.41578 -0.41055 -0.40757 -0.40310 -0.39734 -0.39324 -0.38593 -0.38449 -0.37915 -0.37611 -0.37210 -0.36667 -0.36453 -0.36135 -0.35095 -0.35000 -0.34343 -0.34045 -0.33646 -0.33311 -0.33047 -0.32167 -0.30909 -0.29093 -0.27220 -0.26509 -0.26279 -0.24484 -0.23291 -0.04379 -0.03483 -0.02903 -0.02046 -0.01724 -0.01140 -0.00534 -0.00176 0.00292 0.01036 0.01428 0.01665 0.01747 0.02045 0.02962 0.03003 0.03363 0.03556 0.04094 0.04544 0.04791 0.04985 0.05436 0.05553 0.06128 0.06522 0.06664 0.06925 0.07197 0.07542 0.07994 0.08511 0.08666 0.09012 0.09188 0.09631 0.09741 0.09948 0.10314 0.10759 0.10810 0.11119 0.11424 0.11543 0.11995 0.12040 0.12312 0.12816 0.13016 0.13148 0.13504 0.13629 0.13682 0.14379 0.14538 0.14738 0.15044 0.15357 0.15560 0.15609 0.15692 0.15781 0.16263 0.16532 0.16909 0.17221 0.17290 0.17486 0.17933 0.18185 0.18417 0.18636 0.18782 0.19420 0.19468 0.19669 0.19962 0.20138 0.20237 0.20581 0.20909 0.21017 0.21216 0.21456 0.21657 0.21995 0.22091 0.22336 0.22548 0.22700 0.22800 0.23026 0.23304 0.23640 0.23713 0.23811 0.23914 0.24213 0.24557 0.24571 0.24740 0.24820 0.25109 0.25589 0.25752 0.25929 0.26193 0.26470 0.26627 0.26944 0.27095 0.27207 0.27289 0.27637 0.27683 0.27984 0.28445 0.28601 0.28825 0.29066 0.29255 0.29542 0.29863 0.30112 0.30414 0.30760 0.31139 0.31475 0.31834 0.32115 0.32459 0.32796 0.33135 0.33284 0.33341 0.33639 0.33931 0.34426 0.34851 0.35072 0.35610 0.35921 0.36110 0.36207 0.36516 0.36965 0.37405 0.37544 0.38060 0.38255 0.38781 0.39298 0.39751 0.40005 0.40684 0.41298 0.41871 0.42121 0.43173 0.43862 0.44663 0.45140 0.45691 0.46475 0.46854 0.47510 0.48529 0.48841 0.49135 0.49602 0.49901 0.51066 0.51555 0.51855 0.52760 0.53264 0.53484 0.54171 0.54591 0.55625 0.56414 0.56543 0.56833 0.56956 0.58044 0.58091 0.58549 0.58892 0.59503 0.59733 0.60194 0.60458 0.60854 0.61837 0.61986 0.62432 0.63099 0.63416 0.64172 0.64731 0.65147 0.65638 0.65824 0.66607 0.66871 0.66971 0.67330 0.67774 0.68228 0.68362 0.69036 0.69344 0.69688 0.70096 0.70477 0.70922 0.71185 0.71338 0.71681 0.71990 0.72403 0.72713 0.72827 0.73495 0.74163 0.74263 0.75104 0.75200 0.75792 0.76090 0.76696 0.76810 0.77110 0.77392 0.78299 0.78374 0.79391 0.79453 0.80016 0.80757 0.81198 0.81451 0.81794 0.81859 0.82592 0.82623 0.83493 0.83712 0.84333 0.84739 0.85202 0.85763 0.85919 0.86448 0.87441 0.88427 0.88669 0.89327 0.89910 0.90515 0.91383 0.91791 0.91861 0.92601 0.92881 0.93064 0.94078 0.94821 0.95363 0.96154 0.96357 0.97024 0.97413 0.97986 0.98676 0.99052 0.99774 1.00527 1.01393 1.01563 1.01745 1.02787 1.03493 1.03736 1.04460 1.05125 1.05767 1.05896 1.07240 1.07735 1.07975 1.08696 1.09640 1.09948 1.10639 1.10772 1.11428 1.12514 1.13684 1.14037 1.14783 1.15246 1.15469 1.18148 1.18820 1.19280 1.20459 1.20926 1.22930 1.23723 1.24941 1.25182 1.26988 1.28521 1.29863 1.31239 1.31776 1.32398 1.33182 1.34178 1.34363 1.35982 1.36400 1.37413 1.37938 1.39612 1.39730 1.41167 1.42758 1.43708 1.45696 1.46395 1.47025 1.47825 1.48474 1.49236 1.50662 1.51072 1.51516 1.51832 1.51847 1.52871 1.53192 1.53988 1.55332 1.55721 1.56908 1.57313 1.57522 1.58178 1.58813 1.58867 1.59453 1.60479 1.61368 1.62123 1.62699 1.63114 1.64112 1.64885 1.65757 1.66160 1.66757 1.67417 1.67917 1.68179 1.69148 1.69665 1.70033 1.71288 1.72387 1.72658 1.73121 1.73793 1.73974 1.75077 1.75784 1.76448 1.76808 1.77685 1.79073 1.80290 1.80689 1.81494 1.82181 1.82468 1.82576 1.83913 1.85376 1.85944 1.86325 1.86967 1.88011 1.89416 1.90752 1.91385 1.92022 1.92080 1.93264 1.93990 1.94376 1.94901 1.95765 1.96496 1.97718 1.98143 1.98555 1.99631 2.00279 2.00644 2.01207 2.01710 2.02416 2.03144 2.03892 2.04678 2.05141 2.05608 2.06372 2.06829 2.08091 2.08550 2.09683 2.09774 2.10102 2.11404 2.12286 2.12481 2.14025 2.16740 2.18752 2.20149 2.21470 2.22209 2.23673 2.24317 2.25302 2.26288 2.27439 2.28929 2.30803 2.32009 2.33333 2.34298 2.34745 2.35720 2.35867 2.37601 2.39172 2.40073 2.41316 2.41632 2.42328 2.43922 2.45519 2.45925 2.48014 2.48574 2.49285 2.50524 2.51184 2.51847 2.53386 2.53554 2.55197 2.56817 2.57663 2.59994 2.61514 2.62298 2.63219 2.63583 2.64686 2.65584 2.66014 2.66698 2.67478 2.68337 2.69870 2.71393 2.72039 2.72668 2.73094 2.73421 2.74361 2.75108 2.76024 2.76799 2.76964 2.77966 2.78836 2.79104 2.79633 2.79871 2.81010 2.81454 2.81724 2.82655 2.83135 2.83376 2.85128 2.85822 2.86368 2.86706 2.86860 2.88177 2.88958 2.90272 2.91183 2.91882 2.92248 2.93228 2.94513 2.94812 2.95213 2.97061 2.99124 2.99367 3.00227 3.01325 3.02378 3.04211 3.05025 3.06739 3.07896 3.09825 3.10471 3.10878 3.11283 3.12568 3.14838 3.15713 3.15925 3.17706 3.18225 3.18985 3.20641 3.22082 3.22829 3.24637 3.26597 3.27062 3.31578 3.34611 3.36053 3.37124 3.38584 3.39574 3.40533 3.41205 3.45578 3.46824 3.53075 3.54764 3.55921 3.58201 3.59661 3.62429 3.64639 3.65500 3.69395 3.70119 3.71883 3.72563 3.79355 3.81290 3.83516 3.84490 3.86084 3.90042 3.96994 3.97604 4.00090 4.01317 4.02710 4.04202 4.08949 4.11075 4.14478 4.15914 4.16963 4.17979 4.18359 4.23604 4.24584 4.31623 4.33773 4.54033 4.56342 4.63077 4.84552 4.85425 5.12104 5.14020 5.15280 5.24858 5.42455 5.42724 5.65650 5.87375 5.89588 9.79766 9.83004 23.53605 23.59958 23.62888 23.77586 23.80016 23.87131 23.89003 23.94899 23.96343 23.96395 23.97331 23.98520 23.99878 24.01952 24.07181 24.07799 24.09082 24.10206 24.18175 24.19046 24.19778 24.35476 25.94031 25.98864 26.09550 26.14888 26.62840 26.70083 35.87384 49.92965 49.97796 50.02200 215.79582 215.83314 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 0.115374 0.110623 0.145546 -0.275355 -0.025094 -0.335057 0.537813 0.471406 -0.259285 -0.530999 -0.511745 -1.773263 -0.382555 0.553004 0.522221 1.112598 -0.470596 0.648500 -0.530904 -1.183805 -0.275390 -0.206241 -0.603606 0.091158 -0.269784 0.289506 -0.128481 -0.250878 0.199425 0.208263 0.158225 0.166322 0.165826 0.170437 0.156531 0.171181 0.206023 0.252274 0.199743 0.165192 0.175463 0.170447 0.178018 0.164204 0.165192 0.168135 0.174390 -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 0.115374 0.110623 0.145546 -0.275355 -0.025094 -0.335057 0.537813 0.670830 -0.051021 -0.040626 -0.013596 -1.567240 -0.382555 0.553004 0.774495 1.112598 -0.470596 0.848243 -0.365711 -1.183805 -0.099927 -0.035794 -0.603606 0.269176 -0.105579 0.454698 0.039653 -0.076488 -0.00000 7.76978688e-01 1.04211102e+00 -1.62519217e+00 4.72243338e+02 -4.40955121e+01 4.25414755e+02 1.81165755e+01 -3.02492468e+01 3.80886076e+02 -7.3852 -5.2608 -2.6840 -0.0010 0.0015 0.0017 8.8080 14.8683 22.6484 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 6.4738 13.1721 22.5282 34.8434 44.2602 50.2327 57.8967 67.7717 75.4709 84.9678 87.3462 105.1159 128.6971 153.7533 175.3059 190.2661 215.6530 217.7353 227.1679 233.7232 239.7553 266.1092 304.1237 313.5573 315.9694 321.4854 348.9202 377.8420 398.2287 413.1309 420.9789 426.5979 435.1267 467.6499 473.2064 496.3597 499.3225 532.6271 563.1926 582.7772 587.3495 626.0505 633.9107 651.7983 654.3444 659.6930 702.5599 709.0818 722.4924 755.3349 765.0631 782.1632 804.6466 822.6488 837.4245 850.2819 858.3352 900.2801 906.2352 916.4882 923.5857 926.5874 956.9326 969.0288 983.6512 986.4166 995.1551 999.6015 1002.1777 1007.1694 1013.9179 1014.5520 1019.1255 1039.7966 1042.6340 1071.6275 1100.6783 1106.2830 1108.0870 1124.8010 1153.6989 1164.0572 1176.6199 1184.3411 1187.8096 1228.2568 1241.2028 1260.5479 1264.8387 1284.6618 1309.1701 1310.4766 1322.8342 1336.1126 1346.3755 1348.4202 1358.1798 1374.1857 1412.1899 1419.7884 1446.0705 1469.2273 1472.6693 1479.1423 1481.4178 1489.8259 1497.9473 1511.1754 1516.1770 1621.4576 1625.4036 1637.3311 1639.4857 1672.6762 1691.2326 2321.6434 3025.4062 3029.0812 3081.1379 3085.1660 3086.7877 3113.7850 3130.9024 3174.5909 3179.9787 3180.2411 3181.2583 3183.7446 3192.3850 3192.4267 3193.0722 3198.3578 3202.3412 3202.5656 3204.5395 8.1837 6.8125 6.3173 5.7217 4.5513 7.7041 9.4629 6.9267 9.4394 7.1008 8.4916 6.1655 3.6788 3.4314 3.8351 1.6787 5.7447 1.8716 3.9214 1.9131 5.8702 5.1087 3.8261 5.8727 4.0253 6.0856 8.5677 5.4456 2.8877 4.3110 3.1359 4.5847 5.2215 4.8398 3.9013 3.2717 3.7990 3.8710 6.0628 7.7850 6.1051 6.0949 6.1074 6.1018 4.7248 6.0420 2.1697 1.9692 5.0481 2.8125 5.3123 2.3947 1.6514 6.3254 1.2646 4.5679 5.2423 1.4869 1.7002 1.4739 1.5765 3.0881 3.1059 4.9744 1.4741 1.3614 1.6689 1.3366 1.7402 1.3130 5.2619 6.0029 2.3265 3.1761 2.0728 1.4045 1.4943 1.6300 1.6601 2.0444 3.0125 1.8429 1.1090 1.1403 1.1426 3.1103 2.7460 3.2405 2.6260 2.2653 1.8455 1.2787 2.5930 1.5395 1.8522 2.0492 1.7809 1.3943 1.3100 1.2344 1.8196 2.6500 1.0524 1.0497 2.3352 1.0562 1.1845 2.3270 2.3519 5.8455 6.1051 5.9094 6.5289 7.3638 11.3977 12.6665 1.0382 1.0383 1.1022 1.1020 1.0843 1.1005 1.0986 1.0872 1.0911 1.0893 1.0882 1.0881 1.0925 1.0873 1.0931 1.0936 1.0939 1.0953 1.0976 0.0002 0.0007 0.0019 0.0041 0.0053 0.0115 0.0187 0.0187 0.0317 0.0302 0.0382 0.0401 0.0359 0.0478 0.0694 0.0358 0.1574 0.0523 0.1192 0.0616 0.1988 0.2131 0.2085 0.3402 0.2368 0.3706 0.6146 0.4581 0.2698 0.4335 0.3274 0.4916 0.5825 0.6236 0.5147 0.4749 0.5581 0.6470 1.1330 1.5578 1.2409 1.4075 1.4460 1.5273 1.1919 1.5492 0.6310 0.5834 1.5525 0.9454 1.8320 0.8632 0.6300 2.5221 0.5225 1.9458 2.2755 0.7100 0.8227 0.7294 0.7923 1.5621 1.6757 2.7521 0.8404 0.7805 0.9738 0.7869 1.0298 0.7847 3.1871 3.6405 1.4237 2.0232 1.3276 0.9503 1.0666 1.1753 1.2010 1.5239 2.3625 1.4713 0.9046 0.9424 0.9498 2.7646 2.4925 3.0337 2.4752 2.2027 1.8636 1.2938 2.6734 1.6192 1.9782 2.1952 1.9356 1.5513 1.5393 1.4660 2.2419 3.3704 1.3447 1.3532 3.0195 1.3812 1.5660 3.1309 3.1854 9.0550 9.5032 9.3340 10.3397 12.1388 19.2076 40.2252 5.5986 5.6128 6.1651 6.1798 6.0871 6.2867 6.3450 6.4553 6.5005 6.4908 6.4886 6.4981 6.5601 6.5291 6.5664 6.5913 6.6096 6.6186 6.6407 0.2162 0.1853 0.9287 2.2296 0.6523 1.3851 3.0278 2.1047 3.0402 0.3323 6.3777 6.6667 0.7809 5.9115 0.4778 2.2768 2.7838 1.4993 1.3547 0.2051 1.2527 10.8854 2.3148 3.8810 3.6213 10.2105 3.0546 4.5965 1.9065 4.2612 2.1874 11.0347 14.8258 3.0781 29.3541 35.2835 22.3961 14.7175 14.6556 0.7107 4.8612 4.5666 26.7625 27.1458 3.1557 2.4219 86.6019 47.0562 4.4676 43.5530 31.9301 128.9116 45.7248 72.4936 1.6930 87.5154 70.4586 53.1551 93.4078 24.1717 8.8594 51.5829 40.7272 33.5303 25.4839 0.2898 27.6181 1.6843 62.5999 2.0387 0.9222 4.8210 6.3627 248.2773 17.9953 94.4078 26.2170 9.5057 6.1073 211.7196 41.8897 45.5059 5.9508 6.3469 25.0986 82.3791 264.9565 547.1140 437.4229 120.3994 39.8144 28.4668 24.4757 20.3856 8.1735 3.3383 50.2321 8.3456 12.6259 9.8063 32.9408 61.2750 1.4373 8.7830 21.6529 14.3833 4.5290 267.3654 43.8353 213.7079 39.6031 23.6809 16.4306 62.5047 926.9198 29.4385 23.1541 77.2545 19.1984 66.4616 8.8268 35.0565 19.2651 6.5711 0.2168 9.8617 2.9737 6.1257 9.6086 5.8857 11.9230 10.8258 0.5116 7.9570 5.5231 0.20 0.13 0.08 0.07 0.03 -0.02 0.02 -0.08 0.01 -0.02 -0.01 0.03 -0.10 -0.05 -0.26 0.07 -0.12 0.05 0.00 -0.04 -0.03 0.01 -0.04 -0.02 -0.00 -0.06 -0.01 0.01 -0.04 -0.03 -0.01 -0.04 -0.04 0.02 -0.03 -0.03 -0.00 -0.05 0.01 0.09 0.03 0.01 0.02 -0.05 0.03 -0.03 -0.02 -0.00 0.05 -0.09 0.04 -0.04 -0.05 -0.11 -0.08 0.03 0.08 -0.08 -0.02 -0.14 -0.12 0.06 0.04 -0.13 0.04 -0.07 -0.08 -0.01 -0.10 -0.01 -0.03 -0.07 -0.13 0.06 0.02 0.01 0.02 0.08 -0.11 0.11 0.17 -0.04 0.09 0.20 0.03 -0.04 -0.00 -0.02 -0.06 -0.01 0.01 -0.04 -0.02 -0.00 -0.04 -0.03 0.01 -0.03 -0.03 -0.02 -0.05 -0.05 -0.01 -0.05 -0.04 -0.01 -0.03 -0.05 -0.05 -0.08 -0.07 0.03 -0.02 0.07 -0.00 -0.08 -0.16 -0.07 0.05 0.16 -0.16 0.10 0.10 -0.17 0.06 -0.09 0.02 -0.09 -0.16 -0.19 0.08 -0.01 0.06 0.00 0.10 -0.15 0.17 0.26 -0.02 0.13 0.32 -0.08 -0.04 0.05 0.05 0.01 0.17 0.02 -0.03 -0.02 0.03 -0.12 -0.04 0.02 -0.00 -0.09 0.03 0.10 -0.03 0.00 -0.02 -0.05 0.02 -0.01 0.01 0.03 -0.07 -0.02 -0.02 0.01 -0.09 0.00 -0.04 -0.06 0.04 -0.01 0.07 0.03 -0.08 -0.03 0.01 -0.01 0.09 0.02 0.00 -0.02 -0.01 -0.01 0.04 0.02 0.06 -0.03 0.03 0.00 -0.05 -0.09 -0.02 0.19 -0.01 -0.00 -0.00 -0.12 -0.02 0.24 -0.09 -0.02 0.15 0.02 0.03 -0.11 -0.02 0.04 -0.13 0.05 0.06 -0.11 -0.01 0.07 -0.15 0.05 0.09 -0.13 0.02 0.09 -0.16 0.01 0.02 0.02 0.04 -0.10 -0.01 -0.02 0.03 -0.07 -0.03 -0.01 -0.13 -0.03 0.05 -0.10 -0.00 -0.06 -0.10 0.02 -0.06 -0.04 -0.00 -0.01 -0.06 0.09 -0.01 0.09 0.03 -0.01 -0.05 0.08 0.01 -0.16 -0.12 -0.02 0.26 -0.18 -0.03 0.36 -0.12 -0.02 0.19 -0.04 0.02 -0.13 0.08 0.06 -0.10 -0.04 0.07 -0.17 0.08 0.11 -0.14 0.02 0.11 -0.17 0.15 -0.04 -0.01 0.06 0.01 -0.09 -0.05 0.01 -0.04 0.04 -0.02 -0.06 -0.00 0.02 0.08 -0.17 0.16 -0.13 -0.00 -0.07 0.13 -0.02 -0.09 0.02 0.01 -0.00 0.03 -0.01 -0.15 0.18 0.03 -0.03 0.21 -0.01 -0.06 -0.02 0.01 -0.01 -0.03 0.06 -0.03 -0.04 -0.05 0.03 -0.10 -0.04 0.01 -0.04 -0.11 0.10 -0.11 -0.03 0.02 -0.02 -0.06 -0.03 -0.01 -0.02 0.00 0.05 -0.05 -0.05 0.05 -0.04 -0.04 0.08 -0.01 0.04 0.04 -0.05 -0.00 -0.02 0.04 0.09 0.06 -0.05 0.02 -0.06 0.03 0.11 0.02 -0.01 0.07 -0.04 -0.04 -0.16 -0.02 0.04 0.06 0.03 -0.02 -0.19 0.14 -0.01 -0.12 0.23 -0.02 -0.19 0.21 0.05 0.01 0.27 0.04 0.03 0.17 0.01 -0.09 0.25 -0.05 -0.04 -0.04 -0.03 0.00 -0.16 -0.02 0.05 -0.04 -0.07 -0.05 -0.03 -0.06 -0.09 0.08 -0.03 -0.06 0.13 -0.08 -0.05 -0.04 0.07 0.12 0.11 -0.09 -0.01 -0.11 0.07 0.16 0.04 -0.01 0.08 -0.07 0.13 0.07 0.10 0.04 -0.00 0.04 -0.03 0.01 0.04 -0.04 -0.12 0.03 -0.01 0.04 0.10 -0.04 0.02 0.04 -0.02 -0.08 -0.05 -0.02 -0.07 0.00 -0.04 -0.10 0.00 0.01 -0.03 -0.07 -0.03 -0.11 -0.10 -0.02 -0.07 0.01 -0.04 -0.07 0.03 0.04 -0.01 0.04 -0.04 0.02 0.04 -0.04 0.02 0.03 -0.04 0.02 0.04 -0.07 0.02 0.11 0.03 0.03 -0.10 -0.02 0.02 0.05 0.07 0.03 -0.15 0.05 0.03 -0.08 -0.02 0.04 0.01 -0.06 0.13 0.06 0.01 -0.05 -0.11 -0.07 0.14 -0.01 0.01 -0.04 -0.18 -0.03 0.06 -0.13 0.00 -0.03 0.03 -0.06 -0.15 0.00 0.03 -0.00 -0.03 0.00 -0.05 -0.10 0.03 -0.00 -0.11 -0.03 -0.12 -0.12 -0.05 -0.14 -0.09 -0.01 -0.10 -0.13 -0.07 -0.12 -0.03 -0.03 0.02 0.04 -0.11 0.01 0.20 0.06 0.03 -0.16 0.12 0.04 -0.25 0.08 0.03 -0.13 -0.08 0.20 0.15 0.04 -0.13 -0.14 -0.10 0.22 0.03 0.03 -0.11 -0.28 -0.04 0.07 -0.19 -0.05 -0.05 -0.02 0.02 -0.00 0.03 0.00 -0.01 0.02 -0.02 0.02 0.03 -0.01 0.00 0.07 0.05 -0.13 0.06 0.01 -0.03 -0.02 -0.01 -0.02 -0.01 -0.01 -0.02 -0.00 0.03 -0.01 -0.02 0.00 -0.04 -0.04 -0.01 -0.03 -0.00 -0.01 -0.00 0.02 -0.01 -0.03 0.00 0.00 -0.01 0.04 0.01 -0.00 -0.00 0.03 -0.07 0.05 -0.02 -0.01 0.04 0.05 0.01 -0.08 -0.01 -0.00 0.02 0.06 0.02 -0.11 0.03 0.01 -0.06 -0.01 0.03 0.03 -0.09 -0.08 -0.11 0.06 0.20 0.14 -0.09 -0.03 -0.15 0.06 0.24 0.10 -0.02 0.12 -0.05 -0.00 -0.01 -0.00 -0.03 -0.03 -0.01 0.03 0.00 -0.01 0.03 -0.01 -0.02 0.04 -0.02 -0.03 0.01 -0.04 -0.03 -0.01 -0.05 -0.04 0.02 -0.05 -0.05 0.01 -0.02 0.01 -0.00 0.01 0.07 -0.05 -0.02 0.09 0.07 0.02 -0.12 0.09 0.03 -0.18 0.04 0.01 -0.08 -0.16 -0.20 -0.18 0.12 0.29 0.25 -0.15 -0.12 -0.26 0.13 0.38 0.18 -0.02 0.15 -0.09 -0.02 -0.08 -0.10 0.15 0.14 0.01 0.07 -0.10 -0.03 0.09 -0.15 -0.04 -0.12 -0.06 0.08 0.12 0.03 -0.02 -0.01 0.07 0.02 0.09 0.08 0.03 0.07 0.00 0.01 -0.10 0.02 0.01 -0.06 0.16 0.04 0.14 0.14 0.05 0.08 -0.10 -0.02 0.10 0.08 -0.01 0.06 -0.04 -0.02 -0.00 -0.03 0.01 0.09 -0.01 -0.02 -0.07 -0.06 0.08 0.03 0.02 -0.07 -0.10 -0.05 0.06 -0.01 0.03 -0.06 -0.07 -0.00 -0.00 -0.12 -0.06 0.04 -0.15 -0.01 0.06 -0.10 -0.08 -0.00 -0.15 0.03 0.05 -0.09 -0.04 -0.02 -0.12 0.02 0.01 0.09 0.05 0.02 0.10 0.02 0.01 -0.06 -0.03 0.01 -0.17 -0.02 -0.00 -0.14 0.10 0.01 -0.13 0.13 0.04 0.01 0.19 0.04 -0.09 0.22 0.06 0.21 0.23 0.10 0.09 -0.03 -0.03 -0.10 -0.10 0.13 0.09 0.04 -0.13 0.02 0.07 -0.12 -0.09 0.01 -0.01 -0.17 -0.00 0.09 -0.07 -0.12 -0.02 -0.17 0.07 0.06 -0.07 -0.05 -0.05 -0.11 0.06 0.00 0.04 0.20 0.10 -0.02 -0.01 0.09 0.03 -0.09 -0.11 0.01 0.37 -0.04 -0.05 -0.08 0.12 0.18 -0.05 -0.05 0.03 0.02 0.01 -0.02 0.01 -0.06 0.03 0.08 -0.06 0.02 -0.01 0.04 0.09 0.02 0.09 -0.03 -0.01 -0.04 0.02 0.14 -0.07 -0.00 0.05 0.03 0.04 -0.06 -0.07 0.01 -0.06 -0.03 0.10 -0.06 -0.06 -0.02 -0.07 0.02 0.01 -0.06 -0.03 -0.05 -0.08 0.08 -0.02 -0.07 0.04 -0.05 -0.08 0.09 -0.06 -0.10 0.01 -0.13 -0.09 -0.03 -0.00 -0.09 -0.04 -0.14 -0.06 -0.11 -0.01 -0.07 -0.12 -0.08 -0.05 -0.15 -0.06 -0.02 -0.09 0.04 0.14 -0.06 -0.05 -0.01 -0.05 0.10 0.05 0.06 0.00 -0.11 0.11 0.14 0.04 0.10 0.11 0.03 0.09 0.07 -0.03 0.14 -0.06 -0.08 -0.07 0.03 -0.06 -0.05 -0.02 -0.07 0.02 0.03 -0.06 -0.07 -0.03 -0.07 0.04 -0.08 -0.09 0.14 -0.18 -0.10 -0.00 0.05 -0.10 -0.00 -0.19 -0.05 -0.14 0.04 -0.06 -0.15 -0.08 -0.02 -0.21 -0.09 -0.06 -0.07 0.10 0.08 0.08 -0.04 -0.00 -0.08 -0.10 0.12 -0.06 0.02 0.03 -0.02 0.25 0.00 0.05 -0.05 -0.12 0.00 -0.11 -0.14 -0.12 -0.07 -0.03 -0.10 -0.01 -0.18 0.07 0.00 -0.11 0.08 -0.07 -0.10 -0.10 -0.07 0.03 -0.08 -0.03 -0.04 -0.04 -0.02 0.01 0.00 -0.04 0.02 0.02 0.10 0.01 0.02 -0.02 0.03 0.02 -0.03 0.01 0.01 0.01 0.02 -0.01 -0.00 0.00 -0.01 0.01 0.01 -0.02 0.03 0.05 0.02 0.06 0.13 0.10 0.00 -0.01 -0.02 0.07 0.13 0.14 0.01 -0.00 0.01 0.04 0.07 0.09 -0.14 -0.20 -0.16 -0.07 0.05 -0.11 -0.02 -0.20 0.04 0.01 -0.13 0.14 0.01 -0.26 0.08 0.07 -0.04 0.18 -0.04 -0.05 0.01 0.02 -0.24 0.10 -0.04 -0.08 -0.08 -0.05 0.02 0.04 -0.03 0.04 0.03 -0.04 -0.00 0.01 0.00 -0.01 -0.02 0.04 0.01 -0.04 0.09 0.18 0.13 -0.03 -0.07 -0.08 0.09 0.19 0.20 -0.02 -0.05 -0.02 0.04 0.07 0.12 0.01 -0.13 -0.06 0.16 0.11 0.04 -0.01 -0.05 0.07 -0.03 0.38 0.14 -0.02 -0.03 0.01 -0.35 -0.00 -0.04 0.08 -0.02 -0.09 0.04 -0.01 0.00 -0.00 -0.05 0.03 0.15 0.07 -0.12 0.05 -0.09 -0.20 0.04 -0.01 0.01 -0.01 0.11 0.10 0.06 -0.01 -0.00 -0.03 -0.02 0.01 -0.02 -0.02 -0.01 -0.16 -0.01 -0.01 -0.02 -0.02 -0.01 -0.03 -0.03 0.01 -0.02 -0.03 0.01 -0.03 -0.03 0.03 -0.03 -0.03 0.03 -0.02 -0.03 0.01 -0.01 -0.00 0.03 -0.02 -0.05 -0.01 -0.01 0.01 0.04 -0.02 -0.04 0.00 -0.01 -0.00 0.03 0.09 0.06 0.06 -0.07 -0.11 0.02 0.12 0.13 -0.09 0.19 0.07 -0.15 0.17 0.05 -0.15 0.05 -0.10 -0.22 -0.03 -0.14 -0.20 0.10 -0.09 -0.27 0.07 0.02 0.03 0.01 -0.03 -0.03 -0.01 -0.02 -0.01 -0.03 -0.03 0.01 -0.04 -0.04 0.05 -0.04 -0.04 0.05 -0.01 0.01 0.04 -0.03 -0.07 -0.03 -0.01 0.03 0.07 -0.02 -0.05 -0.01 -0.01 0.01 0.04 -0.01 -0.06 0.01 -0.12 -0.14 -0.08 0.03 -0.15 -0.02 0.06 0.14 0.01 -0.00 -0.06 -0.03 0.05 0.07 -0.05 0.02 0.03 -0.00 0.05 0.04 0.06 0.05 -0.02 0.03 -0.04 0.06 -0.06 0.02 0.04 -0.01 0.04 0.02 0.06 0.05 -0.00 0.01 -0.02 -0.04 0.01 0.02 -0.08 -0.03 -0.02 -0.07 0.01 0.03 -0.01 -0.04 -0.05 -0.08 0.04 -0.01 -0.07 -0.03 -0.04 -0.08 0.02 -0.01 -0.07 -0.02 -0.03 -0.07 -0.01 0.01 0.04 0.01 -0.02 0.17 0.09 0.04 0.03 -0.03 -0.00 0.28 0.13 0.06 0.14 -0.00 0.03 0.27 0.08 0.06 0.07 0.07 0.07 -0.05 0.04 -0.06 0.06 -0.08 -0.03 0.03 -0.11 -0.08 0.09 -0.03 -0.02 -0.01 -0.08 0.07 0.00 0.04 -0.02 0.12 0.01 0.03 0.02 0.06 0.06 -0.08 -0.06 -0.06 -0.09 0.07 0.01 -0.06 -0.06 -0.00 -0.06 -0.04 -0.02 -0.07 -0.02 -0.04 0.18 0.13 0.06 -0.07 -0.10 -0.02 0.39 0.19 0.09 0.13 -0.04 0.04 0.35 0.10 0.01 0.00 0.02 -0.00 0.02 0.00 0.00 -0.12 0.05 -0.07 0.11 0.09 0.01 -0.07 -0.11 0.10 0.54 0.02 -0.05 -0.02 0.00 -0.03 -0.01 0.01 -0.04 -0.04 0.02 -0.08 -0.02 -0.01 -0.08 0.01 -0.02 -0.02 -0.00 0.01 -0.04 -0.01 0.05 -0.01 0.00 0.01 0.00 -0.05 0.08 -0.01 -0.06 0.13 0.04 0.19 0.05 -0.02 -0.08 0.09 0.03 -0.03 0.04 0.02 -0.04 -0.06 0.08 0.01 -0.12 0.08 0.00 -0.17 0.01 -0.07 -0.07 0.02 -0.13 -0.11 0.00 -0.00 0.00 0.02 -0.13 -0.08 0.01 -0.00 0.04 0.02 -0.06 -0.00 -0.01 -0.01 0.02 -0.06 -0.04 0.02 -0.06 -0.03 0.01 -0.11 -0.04 -0.02 -0.08 0.02 -0.02 -0.12 -0.02 -0.04 -0.06 -0.00 -0.00 -0.09 0.05 -0.02 -0.03 -0.00 0.01 0.03 -0.09 0.01 -0.04 -0.12 0.14 0.04 -0.01 0.06 0.12 0.05 -0.21 0.12 0.03 -0.30 0.02 -0.17 -0.16 -0.00 0.05 0.04 0.03 -0.18 -0.11 0.01 0.05 0.10 0.02 -0.06 0.02 -0.12 0.16 -0.09 0.01 -0.07 0.07 0.05 -0.02 0.06 -0.02 -0.12 0.06 -0.02 -0.07 -0.04 -0.19 0.07 -0.01 0.07 0.01 0.00 0.06 -0.01 -0.13 0.00 0.08 -0.03 0.20 -0.11 0.16 0.02 0.05 -0.02 0.05 -0.01 -0.16 0.02 -0.02 0.04 0.01 0.01 -0.10 0.05 -0.04 0.04 0.04 -0.04 0.05 -0.04 0.00 0.02 0.01 -0.07 0.05 0.05 -0.01 0.02 -0.01 -0.05 0.01 0.02 0.01 -0.01 -0.00 -0.01 -0.01 -0.02 -0.04 -0.02 -0.03 0.01 0.00 -0.00 -0.03 -0.03 -0.03 0.07 0.03 0.01 0.04 -0.00 -0.01 0.09 0.03 0.09 -0.05 -0.14 -0.05 0.17 -0.05 0.18 -0.14 0.12 0.26 0.01 0.33 0.27 -0.29 0.18 0.01 0.10 0.09 -0.07 0.11 -0.11 0.08 -0.03 -0.07 0.06 -0.03 -0.16 0.06 -0.06 0.01 -0.00 -0.09 0.07 0.08 0.01 0.01 0.03 0.04 -0.03 -0.01 0.00 -0.05 -0.05 -0.00 0.01 0.00 -0.06 -0.05 -0.04 0.11 0.05 0.02 0.05 -0.00 0.00 0.14 0.06 -0.01 -0.03 0.02 -0.03 0.11 -0.05 -0.02 0.07 0.00 -0.01 -0.12 -0.02 -0.02 -0.06 -0.02 0.05 0.06 0.00 0.05 0.02 0.01 -0.07 0.03 0.03 -0.01 0.08 0.01 0.14 0.12 -0.03 0.19 -0.14 0.05 -0.10 -0.00 0.03 -0.02 0.02 -0.00 -0.06 0.01 0.02 -0.01 -0.02 0.00 0.02 -0.04 0.01 0.00 0.01 0.00 0.00 -0.05 0.01 0.02 -0.03 -0.00 -0.01 -0.05 -0.00 0.01 -0.02 -0.01 -0.01 -0.03 -0.01 -0.02 -0.06 -0.02 -0.03 -0.03 -0.01 -0.01 -0.05 -0.03 -0.03 0.03 0.02 -0.00 0.01 0.00 -0.01 0.06 0.03 -0.09 0.05 0.03 -0.01 0.04 0.02 -0.04 0.26 -0.12 0.39 0.25 -0.05 0.15 -0.08 0.07 0.39 -0.02 0.12 0.07 -0.15 -0.00 0.24 -0.37 0.06 -0.11 -0.01 0.02 -0.05 -0.05 0.00 0.00 -0.06 0.02 0.03 -0.03 -0.01 0.01 -0.01 -0.02 -0.01 -0.03 -0.02 -0.05 -0.05 -0.02 -0.00 -0.07 -0.04 -0.03 0.06 0.03 0.01 0.03 0.01 -0.00 0.11 0.06 0.02 -0.02 0.01 0.01 -0.01 0.01 -0.08 0.01 0.01 0.02 -0.02 -0.00 0.01 0.03 0.01 0.18 0.03 0.00 0.04 0.04 0.01 0.04 0.04 0.03 -0.01 0.03 0.07 0.19 0.00 0.12 -0.08 0.06 -0.14 0.02 0.01 0.02 -0.02 0.01 0.04 0.01 0.00 0.01 -0.10 -0.00 -0.04 -0.09 -0.01 -0.05 -0.03 0.00 -0.03 -0.06 0.02 -0.05 -0.09 -0.06 -0.04 -0.02 -0.00 -0.03 -0.06 -0.08 -0.03 -0.02 -0.05 -0.02 0.01 0.04 0.02 0.02 0.02 0.02 0.00 0.03 0.02 0.01 -0.02 -0.01 -0.00 -0.01 -0.00 0.00 -0.04 -0.02 0.09 0.09 0.07 -0.03 0.03 0.07 0.06 0.06 0.02 0.39 0.18 0.26 0.26 -0.28 0.20 -0.22 -0.04 -0.24 -0.07 -0.00 -0.09 -0.06 0.24 -0.23 0.02 0.01 0.02 -0.09 0.00 -0.04 -0.06 0.05 -0.06 -0.13 -0.08 -0.04 -0.06 -0.11 -0.02 0.00 -0.07 -0.00 0.03 0.04 0.02 -0.00 0.05 0.03 0.02 -0.04 -0.02 -0.01 -0.02 -0.01 -0.00 -0.08 -0.05 0.04 -0.07 0.05 -0.01 0.01 0.01 -0.00 0.17 -0.02 -0.02 0.02 -0.04 -0.02 -0.06 0.00 -0.00 0.01 -0.01 -0.03 -0.00 0.00 -0.04 -0.01 -0.02 -0.02 0.02 -0.02 0.02 -0.05 0.07 -0.14 0.07 -0.09 -0.05 -0.05 0.01 -0.02 0.06 -0.04 -0.04 -0.04 0.03 0.03 0.04 -0.01 0.11 0.01 -0.02 0.01 0.02 -0.01 0.10 -0.01 -0.02 0.11 0.03 -0.02 0.04 -0.01 0.02 0.06 0.03 0.03 0.02 0.02 0.06 -0.03 -0.12 -0.05 -0.06 -0.09 -0.05 -0.01 -0.11 -0.06 -0.04 0.04 0.02 0.01 0.02 0.00 0.00 0.12 0.07 -0.05 0.00 -0.02 -0.01 0.04 -0.02 0.07 -0.08 0.10 -0.03 -0.04 0.14 0.06 -0.06 0.02 -0.35 -0.11 -0.31 0.03 -0.02 0.06 -0.23 0.42 -0.10 -0.05 -0.07 0.01 -0.05 -0.01 0.00 0.11 -0.02 -0.04 0.14 0.04 -0.03 0.04 0.05 0.05 -0.03 0.02 0.11 -0.09 -0.13 -0.07 0.00 -0.16 -0.09 -0.05 0.09 0.05 0.04 0.06 0.02 0.02 0.25 0.16 -0.00 0.02 -0.02 0.02 -0.04 0.01 -0.04 0.09 0.04 0.00 0.00 0.03 -0.00 -0.01 0.01 0.08 0.03 0.01 0.01 -0.00 0.01 0.02 0.00 0.02 -0.01 -0.00 0.04 -0.01 0.02 -0.01 0.01 -0.01 0.00 0.03 0.01 -0.01 -0.01 0.03 0.04 0.03 0.00 -0.02 -0.05 0.01 -0.01 -0.00 -0.00 -0.04 -0.04 0.00 -0.00 0.01 0.01 -0.05 -0.01 -0.03 -0.03 0.01 -0.01 -0.01 -0.01 -0.04 -0.00 -0.00 -0.03 0.01 -0.01 -0.03 -0.01 -0.02 -0.03 -0.01 -0.00 -0.03 -0.02 -0.01 0.01 0.01 0.00 0.00 0.00 -0.00 0.04 0.02 0.05 -0.00 0.03 -0.03 -0.01 0.03 0.28 -0.10 0.24 -0.39 -0.22 -0.07 0.02 0.39 -0.25 0.12 0.15 0.28 -0.22 0.11 -0.19 0.16 -0.32 -0.07 0.03 0.03 -0.00 -0.07 0.00 -0.00 0.02 0.02 -0.06 -0.02 -0.04 -0.04 -0.01 -0.05 0.01 -0.01 -0.04 0.05 -0.03 -0.04 -0.02 0.00 -0.05 -0.02 -0.02 0.03 0.01 0.01 0.01 0.00 0.01 0.07 0.04 0.07 -0.04 -0.03 0.04 -0.10 0.06 -0.10 0.11 -0.10 0.03 0.02 -0.16 -0.00 -0.01 0.01 -0.05 -0.09 0.05 0.01 0.06 -0.02 0.03 0.05 -0.04 0.00 0.07 -0.03 -0.01 0.06 -0.04 0.05 0.08 0.04 0.06 0.03 -0.01 -0.04 0.06 -0.09 0.05 0.00 -0.02 -0.09 0.04 0.02 -0.09 -0.02 0.17 -0.02 0.06 0.03 -0.06 -0.01 0.14 -0.12 -0.06 0.23 0.03 0.01 -0.01 0.01 -0.03 -0.01 0.12 0.02 -0.19 -0.01 -0.05 -0.01 -0.03 -0.05 -0.02 -0.00 -0.05 -0.01 -0.03 -0.00 -0.00 0.00 0.01 0.01 -0.01 0.04 0.03 0.02 0.04 -0.04 0.01 0.08 -0.03 -0.11 0.10 -0.13 0.10 0.12 -0.05 -0.04 -0.02 0.05 0.09 0.11 0.07 0.07 0.11 0.03 0.03 0.02 0.08 0.08 0.04 0.00 -0.17 -0.02 0.01 -0.07 -0.00 0.17 -0.20 -0.09 0.35 0.04 -0.03 -0.06 0.25 0.05 -0.41 -0.06 -0.08 -0.03 0.01 -0.06 -0.02 -0.04 0.01 0.00 0.02 0.03 0.02 0.00 0.10 0.06 -0.03 0.05 -0.05 0.04 -0.02 0.00 -0.02 0.03 0.05 0.01 -0.01 0.04 0.00 0.01 0.04 0.04 0.02 0.02 0.02 -0.02 0.03 0.01 -0.03 0.03 0.01 -0.02 0.04 -0.05 0.04 -0.05 0.05 -0.04 0.06 -0.00 -0.02 -0.04 0.01 0.00 0.05 0.02 -0.02 -0.05 -0.04 0.01 0.00 -0.01 0.01 -0.03 -0.04 0.00 0.01 0.01 0.02 -0.06 -0.03 -0.01 -0.01 0.01 0.01 -0.02 -0.01 -0.02 -0.01 0.01 -0.01 -0.01 -0.01 -0.03 0.00 -0.02 -0.03 -0.01 0.00 -0.03 -0.01 -0.01 0.01 0.01 0.01 0.00 -0.00 0.00 0.03 0.02 0.02 -0.04 0.03 -0.00 -0.04 0.04 -0.14 0.10 -0.12 0.05 0.04 -0.15 -0.11 0.03 0.02 -0.06 -0.27 -0.37 0.42 -0.24 0.37 -0.19 0.39 0.20 -0.05 -0.03 -0.06 -0.03 0.02 0.01 0.02 0.04 -0.08 -0.05 -0.03 0.02 -0.01 -0.04 0.01 0.01 -0.02 0.01 -0.03 -0.04 -0.01 0.01 -0.05 -0.02 -0.02 0.02 0.01 0.02 0.01 -0.00 0.01 0.06 0.04 -0.05 0.03 0.02 -0.03 0.04 -0.05 0.03 -0.10 0.00 0.02 0.02 0.02 0.00 0.05 0.15 0.00 -0.02 -0.02 -0.02 -0.04 -0.01 0.01 -0.01 0.04 0.01 -0.09 0.01 0.00 -0.07 0.03 -0.04 -0.04 -0.04 0.03 0.04 0.05 0.02 -0.07 0.01 0.01 0.03 0.04 0.03 0.02 -0.02 -0.01 0.05 -0.04 0.01 0.01 -0.02 0.08 0.08 -0.16 -0.08 0.01 0.12 0.08 0.06 -0.09 0.01 0.01 0.01 0.10 0.05 -0.12 -0.02 -0.08 0.03 -0.07 -0.08 0.00 0.02 -0.10 -0.01 -0.06 0.02 0.01 0.03 -0.00 -0.01 -0.00 0.09 0.03 0.03 -0.00 0.04 0.02 -0.11 0.02 -0.12 -0.03 -0.10 0.18 0.06 0.09 0.01 -0.27 0.13 0.02 0.07 0.18 -0.24 0.05 -0.19 0.09 -0.27 -0.12 0.05 0.07 0.06 0.09 0.06 -0.02 0.10 0.12 -0.22 -0.18 -0.02 0.29 -0.01 -0.02 0.06 0.13 0.05 -0.15 -0.10 -0.12 0.00 0.05 -0.14 -0.01 -0.10 0.06 0.02 0.07 0.02 -0.02 0.01 0.19 0.07 -0.04 0.02 0.03 -0.01 0.06 -0.04 0.01 -0.01 -0.02 0.07 0.00 -0.04 -0.00 -0.01 -0.01 -0.01 -0.03 -0.01 0.05 -0.02 0.02 0.01 -0.02 0.02 0.03 0.01 0.02 0.06 -0.03 0.03 0.01 -0.02 -0.03 -0.04 -0.05 -0.01 0.04 0.01 -0.01 -0.04 -0.03 0.01 0.01 -0.01 -0.01 -0.01 -0.02 0.04 0.01 0.01 -0.01 -0.01 -0.02 0.03 -0.03 -0.02 0.08 -0.00 -0.01 -0.02 -0.00 -0.01 0.00 0.03 0.00 -0.08 -0.00 0.01 0.02 -0.01 0.02 0.03 0.00 0.02 0.03 -0.01 0.00 0.00 -0.00 -0.00 -0.00 -0.01 -0.02 -0.02 0.00 -0.00 0.02 0.05 0.00 0.03 0.40 -0.18 0.32 -0.36 -0.27 0.02 0.12 0.36 -0.24 -0.09 -0.14 -0.22 0.13 -0.11 0.09 -0.05 0.21 -0.03 -0.06 -0.07 -0.02 0.01 -0.02 -0.03 -0.02 -0.03 0.03 -0.06 -0.02 0.13 -0.00 0.00 -0.01 0.06 0.02 -0.15 -0.01 0.03 0.04 0.01 0.02 0.03 -0.02 -0.00 -0.01 0.00 -0.01 -0.01 -0.02 -0.04 -0.05 -0.09 0.08 -0.01 -0.00 0.02 -0.08 -0.06 0.01 -0.03 0.12 0.06 -0.08 0.02 0.02 -0.04 0.02 -0.09 0.01 -0.00 -0.07 0.02 0.04 -0.03 0.10 0.03 -0.15 0.07 0.01 -0.07 0.02 -0.03 -0.10 -0.04 0.07 0.06 0.07 0.03 -0.04 -0.01 0.06 0.03 0.03 -0.07 0.06 -0.02 -0.07 0.03 0.08 -0.04 0.07 -0.02 -0.10 0.02 0.24 0.02 0.03 -0.08 -0.02 0.03 0.15 0.01 0.01 -0.00 -0.01 0.02 0.12 0.01 -0.04 -0.13 0.05 -0.09 -0.14 -0.02 -0.05 -0.12 0.08 -0.05 -0.02 -0.00 0.00 0.02 0.06 0.04 0.10 0.08 -0.02 0.13 0.07 -0.21 0.09 -0.07 -0.04 -0.05 0.11 0.00 0.04 0.00 -0.18 0.08 -0.03 -0.09 -0.02 -0.09 -0.10 -0.06 0.02 -0.11 -0.09 0.06 0.10 0.07 -0.07 0.04 -0.07 -0.13 0.03 0.31 0.09 0.04 -0.24 0.06 -0.01 -0.09 0.02 0.01 0.11 0.08 -0.11 -0.19 -0.06 -0.06 -0.15 0.12 -0.06 -0.01 -0.04 0.03 0.08 0.08 0.12 0.22 -0.05 0.05 -0.02 0.02 -0.01 -0.05 -0.05 0.22 -0.01 0.06 0.06 -0.08 -0.03 -0.10 -0.12 -0.00 0.03 0.02 -0.04 -0.07 0.01 0.01 -0.04 0.08 0.01 -0.12 0.03 -0.04 -0.05 -0.00 -0.06 -0.09 -0.02 0.09 0.07 0.07 -0.00 0.03 -0.03 0.09 0.05 0.03 -0.01 -0.01 0.02 0.12 -0.06 0.01 -0.01 -0.02 0.03 0.10 -0.09 -0.05 0.09 -0.03 0.06 0.01 -0.07 -0.05 0.04 0.00 0.02 0.01 -0.02 -0.04 -0.02 0.03 0.08 -0.04 0.10 0.12 -0.01 0.09 0.12 -0.07 0.04 0.01 -0.02 0.01 -0.01 -0.07 -0.08 -0.11 0.03 -0.04 0.08 0.04 -0.16 0.05 -0.24 0.04 -0.16 0.20 0.09 0.01 -0.07 -0.28 0.15 -0.05 -0.07 0.03 -0.13 -0.07 -0.06 -0.01 -0.13 -0.07 0.09 0.13 0.09 -0.15 -0.09 0.04 0.11 -0.13 -0.07 0.10 -0.01 0.12 0.02 0.06 0.05 -0.03 -0.01 -0.06 -0.06 0.13 0.17 0.02 0.12 0.15 -0.09 0.04 0.00 -0.00 -0.02 -0.05 -0.10 -0.20 -0.24 -0.02 -0.03 0.04 -0.04 0.00 -0.04 -0.02 0.04 -0.03 -0.10 -0.00 -0.01 0.00 0.02 0.04 -0.06 0.07 0.08 0.02 -0.01 -0.09 0.04 0.02 -0.09 -0.01 -0.00 -0.11 0.05 -0.12 0.00 0.11 -0.01 0.03 0.16 0.13 0.08 -0.05 0.01 -0.05 0.10 0.12 0.12 -0.02 -0.01 0.07 -0.04 0.01 -0.02 0.04 -0.07 0.11 -0.04 0.01 -0.06 -0.04 -0.00 -0.05 -0.03 -0.01 -0.02 -0.03 -0.02 -0.03 -0.05 -0.03 0.01 0.01 -0.01 0.00 0.01 -0.02 -0.01 0.02 -0.01 -0.01 0.02 -0.01 -0.00 0.02 -0.01 -0.00 0.03 0.01 0.01 0.01 0.01 -0.11 -0.03 0.01 -0.12 0.23 -0.26 0.10 -0.14 -0.16 0.14 0.11 -0.05 -0.10 0.13 -0.11 -0.20 0.38 -0.10 0.21 -0.08 0.16 0.20 0.27 0.14 0.14 -0.07 0.03 0.18 -0.04 0.01 -0.06 -0.05 -0.01 -0.07 -0.03 -0.03 -0.02 -0.07 -0.04 0.06 0.01 -0.03 -0.02 0.02 -0.02 -0.01 0.01 -0.01 -0.00 0.02 -0.01 -0.00 0.03 0.02 0.02 0.01 -0.02 0.01 -0.03 0.00 -0.00 0.03 -0.00 0.06 -0.14 -0.02 0.16 0.02 0.03 -0.02 0.10 -0.10 -0.12 -0.01 -0.01 -0.04 0.00 0.01 -0.06 -0.02 0.00 -0.06 0.01 -0.06 0.00 0.04 -0.03 0.02 0.07 0.07 0.03 -0.02 -0.01 0.05 0.05 0.08 0.05 0.00 0.03 -0.11 0.07 -0.03 0.03 -0.09 0.10 -0.17 0.10 0.01 0.10 0.05 -0.12 0.07 0.09 0.03 0.06 0.09 -0.12 0.04 0.16 -0.05 -0.01 -0.04 0.08 -0.08 -0.04 0.09 -0.08 -0.14 0.08 -0.03 -0.04 0.02 -0.01 -0.17 0.01 0.02 -0.13 -0.02 0.03 -0.01 -0.02 -0.07 -0.07 0.02 -0.07 0.08 -0.10 0.04 -0.06 -0.06 0.07 0.04 -0.04 -0.04 0.07 -0.08 -0.11 0.17 -0.08 0.12 -0.05 0.05 0.11 0.13 0.08 0.06 0.06 -0.04 -0.27 0.10 0.03 0.10 0.02 -0.14 0.08 0.10 -0.14 0.03 0.29 -0.07 -0.06 -0.01 0.11 -0.08 -0.24 0.14 -0.06 0.04 -0.01 0.02 -0.20 0.00 0.05 -0.13 -0.06 0.07 -0.05 0.00 0.10 0.04 0.04 -0.06 -0.01 0.08 0.05 0.07 -0.00 0.03 0.01 0.02 0.01 0.00 0.03 0.06 0.09 0.01 -0.11 0.08 -0.00 -0.06 0.06 -0.02 -0.03 -0.06 -0.11 -0.10 0.06 0.21 0.02 -0.02 -0.14 -0.04 0.04 0.02 0.04 -0.07 -0.13 0.00 -0.03 0.01 0.04 -0.02 -0.01 -0.00 -0.03 -0.01 0.05 -0.00 0.00 -0.01 -0.01 -0.06 -0.01 0.01 -0.00 0.00 0.01 -0.08 -0.01 0.02 -0.06 0.00 -0.01 0.03 -0.03 -0.00 0.03 -0.03 -0.04 0.02 -0.02 -0.00 0.00 -0.00 -0.05 0.00 0.01 -0.03 -0.00 0.02 0.11 0.09 -0.01 0.01 -0.11 -0.03 -0.21 -0.14 -0.32 0.08 -0.03 -0.09 -0.18 -0.24 0.11 0.03 0.31 0.27 0.05 0.41 -0.13 0.06 0.07 0.07 -0.01 -0.18 -0.05 -0.05 0.01 0.06 -0.01 0.01 -0.00 -0.05 -0.08 -0.02 0.01 -0.09 -0.01 0.05 -0.07 0.02 0.01 0.03 -0.03 -0.07 0.03 -0.03 0.02 -0.01 0.00 -0.06 -0.00 0.02 -0.03 -0.01 0.03 -0.02 -0.01 0.04 -0.01 0.01 -0.03 0.01 0.07 0.08 -0.09 -0.02 0.15 -0.04 -0.11 -0.10 0.11 -0.11 -0.10 0.02 -0.01 -0.06 0.03 0.00 -0.06 0.00 -0.01 -0.04 -0.02 -0.08 -0.04 0.04 0.06 0.02 0.04 -0.00 0.00 0.00 0.01 0.07 0.01 0.00 0.04 -0.02 0.07 -0.11 -0.02 0.02 0.01 -0.12 0.14 -0.17 -0.11 -0.04 0.08 -0.04 0.11 0.03 -0.07 -0.04 -0.02 -0.07 0.13 0.02 -0.09 0.09 -0.07 0.03 -0.11 0.10 0.02 -0.08 0.12 0.15 -0.07 0.08 0.01 -0.01 0.01 0.17 -0.00 -0.02 0.11 -0.01 -0.07 0.04 0.02 -0.05 -0.06 -0.03 -0.06 -0.05 -0.11 -0.10 0.01 -0.04 0.00 -0.05 -0.13 0.03 0.05 0.06 0.03 0.12 0.09 0.03 -0.01 0.05 0.10 0.08 -0.01 0.02 0.05 0.01 -0.27 -0.12 -0.07 0.11 0.02 0.14 0.03 -0.08 0.17 0.02 -0.14 0.15 -0.18 -0.03 -0.10 0.14 0.26 -0.13 0.12 -0.08 0.03 -0.02 0.23 0.01 -0.05 0.10 0.01 -0.15 -0.15 0.04 0.14 0.23 -0.11 -0.18 0.01 -0.03 -0.06 -0.19 -0.02 0.01 0.00 0.02 0.03 -0.02 -0.00 -0.05 -0.06 0.02 0.10 -0.05 -0.04 -0.02 -0.06 0.12 -0.03 0.07 0.23 0.03 -0.10 0.02 0.05 0.06 -0.09 0.12 -0.08 0.02 -0.07 0.13 -0.11 0.09 0.03 -0.02 -0.02 0.01 -0.01 -0.00 0.06 -0.02 -0.04 -0.00 -0.00 0.01 0.00 0.01 0.01 -0.01 0.00 0.01 -0.00 0.02 0.01 0.00 0.01 -0.01 0.00 0.01 -0.01 0.01 0.00 -0.01 -0.00 0.00 -0.01 0.01 -0.01 -0.00 -0.01 -0.00 -0.00 0.00 0.00 0.01 -0.17 -0.09 -0.10 -0.03 0.28 -0.04 0.07 0.41 0.19 0.11 0.18 -0.12 0.15 0.31 -0.12 -0.14 0.02 0.10 -0.15 0.04 0.01 -0.06 0.01 -0.00 0.09 -0.07 0.14 0.02 -0.02 -0.01 -0.01 -0.01 0.02 0.01 0.02 0.02 -0.00 0.02 0.01 0.00 0.02 -0.03 0.02 0.01 -0.02 -0.01 0.01 -0.02 0.02 -0.01 -0.00 -0.01 -0.00 0.00 0.01 0.00 0.02 0.00 -0.00 -0.00 -0.02 0.01 0.00 0.10 0.20 0.06 0.03 -0.01 0.07 0.00 0.05 0.23 -0.01 0.02 -0.08 -0.01 -0.02 0.06 -0.01 -0.03 -0.02 0.03 0.06 -0.03 -0.10 -0.02 0.02 -0.06 -0.10 -0.06 0.02 0.01 -0.01 0.08 0.09 0.04 0.01 0.02 0.01 0.11 -0.03 -0.02 0.04 -0.04 -0.04 0.09 -0.08 -0.05 -0.13 -0.11 0.03 -0.03 -0.02 0.07 -0.14 -0.08 -0.02 -0.08 0.00 0.02 -0.08 -0.06 -0.15 -0.00 0.08 -0.06 0.06 0.03 -0.08 -0.01 0.04 -0.10 0.09 -0.05 -0.01 -0.01 0.00 0.00 0.07 -0.00 0.05 -0.07 -0.11 -0.08 0.01 0.14 -0.04 -0.20 -0.00 -0.10 -0.00 0.01 -0.03 -0.18 -0.07 0.14 -0.08 -0.11 -0.07 -0.20 -0.16 -0.08 0.05 -0.10 -0.20 0.03 0.01 0.00 0.05 -0.05 0.01 -0.16 -0.22 0.12 -0.04 -0.02 0.15 -0.11 0.08 0.07 -0.10 -0.01 -0.27 0.14 0.07 -0.11 -0.05 0.05 -0.12 0.13 -0.08 -0.01 -0.08 -0.01 0.05 0.07 0.02 0.13 -0.01 -0.01 0.04 0.02 -0.01 -0.02 0.01 -0.04 0.01 0.06 -0.02 0.00 0.00 -0.01 -0.08 -0.01 -0.01 0.04 0.02 0.06 0.06 0.02 0.04 -0.07 0.01 0.19 -0.01 -0.16 -0.04 0.06 0.02 -0.13 -0.12 0.03 -0.00 -0.02 0.03 0.06 0.03 0.01 0.00 0.02 -0.01 0.03 0.02 -0.04 0.03 0.00 -0.01 0.04 0.03 0.00 0.05 0.00 -0.03 -0.01 -0.04 0.04 0.03 0.00 0.01 -0.04 -0.01 0.03 -0.01 0.04 0.00 -0.03 0.02 -0.02 -0.02 0.02 0.00 -0.02 0.03 -0.03 0.01 0.00 0.00 -0.00 0.00 -0.02 0.00 -0.02 -0.04 -0.04 -0.13 -0.05 0.33 -0.04 -0.21 -0.18 -0.13 -0.18 -0.06 0.05 -0.32 -0.03 0.24 0.09 -0.16 -0.25 -0.17 -0.32 -0.07 0.15 -0.13 -0.28 0.07 -0.06 -0.01 0.03 0.05 0.01 0.00 0.09 -0.02 -0.04 -0.03 -0.08 0.02 -0.08 -0.02 0.06 -0.03 0.07 -0.05 -0.04 0.03 0.02 -0.03 0.04 -0.04 0.02 -0.00 0.03 0.00 -0.02 -0.02 0.00 -0.04 -0.01 0.01 0.01 0.05 -0.02 -0.01 -0.11 -0.08 -0.04 -0.04 -0.01 -0.05 -0.01 0.02 0.11 0.05 0.04 -0.05 0.03 0.09 -0.06 0.04 0.12 0.07 -0.04 0.05 0.07 -0.07 -0.10 0.03 0.12 -0.01 -0.07 -0.03 0.01 0.03 -0.08 0.01 -0.00 -0.04 -0.05 -0.03 -0.08 -0.12 -0.02 0.08 -0.08 0.01 -0.13 -0.14 -0.05 0.09 -0.05 -0.00 0.07 0.07 0.07 -0.01 -0.00 0.02 0.01 0.14 0.01 -0.02 0.11 -0.00 -0.00 0.04 -0.02 0.02 0.02 -0.03 -0.00 0.03 -0.03 0.03 -0.01 0.00 -0.01 -0.00 -0.01 0.02 -0.00 0.02 0.13 0.24 0.16 -0.04 -0.08 0.09 -0.01 -0.32 -0.08 -0.20 -0.10 0.19 -0.15 -0.11 0.13 0.24 -0.01 -0.18 0.11 -0.13 0.01 0.10 -0.04 -0.04 -0.06 -0.01 0.01 -0.13 -0.16 -0.04 0.10 -0.08 -0.02 0.15 0.14 0.16 0.01 0.20 -0.01 -0.09 0.14 -0.03 0.06 0.04 -0.04 -0.02 0.05 -0.03 0.05 -0.01 0.01 -0.04 -0.02 0.01 0.03 -0.00 0.04 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.01 0.00 0.02 0.00 -0.01 -0.00 -0.01 0.04 0.01 -0.03 0.03 -0.00 -0.00 0.01 -0.01 -0.01 -0.02 -0.00 0.01 -0.01 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 0.02 0.01 -0.01 0.02 0.01 0.00 -0.01 0.04 -0.03 0.09 0.00 0.01 -0.02 -0.05 0.01 -0.00 0.02 -0.03 -0.03 0.00 0.02 0.02 -0.05 -0.04 -0.02 0.02 0.00 0.02 -0.01 -0.01 -0.14 -0.15 0.03 0.16 0.11 0.05 0.14 0.13 -0.03 -0.15 -0.13 0.01 -0.00 0.01 -0.02 -0.03 -0.03 -0.01 0.03 -0.01 -0.00 0.03 0.00 0.01 0.01 -0.02 0.00 0.02 -0.01 -0.02 0.00 0.01 -0.01 0.01 -0.00 -0.00 0.00 -0.00 0.00 -0.02 -0.01 0.01 -0.02 -0.06 0.05 -0.05 -0.12 0.02 0.00 0.03 0.05 0.06 -0.12 -0.08 -0.01 0.03 -0.03 -0.30 -0.30 0.05 0.33 0.25 0.09 0.31 0.29 -0.08 -0.33 -0.28 0.01 -0.01 0.02 -0.00 -0.01 0.01 -0.00 -0.00 -0.01 -0.01 -0.05 0.00 0.04 0.01 -0.03 -0.02 -0.03 0.10 0.01 -0.10 0.10 -0.01 0.00 0.01 -0.01 -0.01 -0.05 -0.01 0.02 -0.02 0.00 0.02 0.00 -0.01 -0.01 0.00 0.01 -0.00 -0.02 -0.00 -0.02 -0.00 0.01 0.02 0.01 -0.02 0.05 0.03 0.02 -0.03 0.12 -0.09 0.29 0.02 0.06 -0.06 -0.18 0.04 -0.02 0.07 -0.08 -0.08 -0.00 0.07 0.04 -0.14 -0.12 -0.07 0.06 -0.02 0.03 -0.04 0.04 0.11 0.04 -0.02 -0.03 -0.10 0.03 -0.08 -0.05 0.01 0.08 0.06 0.03 -0.02 0.00 -0.02 -0.04 -0.07 -0.03 0.08 -0.03 0.01 0.04 0.02 0.00 0.01 -0.01 0.01 0.03 -0.01 0.00 -0.01 -0.01 -0.00 -0.02 0.01 -0.01 -0.01 0.01 0.03 -0.02 -0.01 0.03 -0.05 -0.16 0.17 -0.11 -0.39 0.05 -0.01 0.09 0.16 0.15 -0.32 -0.22 -0.06 0.12 0.11 0.23 0.11 -0.05 -0.09 -0.17 0.03 -0.15 -0.11 -0.01 0.17 0.17 0.03 -0.03 0.02 0.01 0.04 -0.03 0.06 -0.02 0.01 0.07 0.07 -0.05 -0.17 -0.01 0.05 0.00 -0.01 -0.02 -0.07 -0.06 -0.01 -0.01 0.07 -0.06 0.02 0.14 0.20 0.00 -0.06 0.05 -0.04 -0.08 0.06 0.07 -0.01 -0.05 -0.07 0.04 0.11 -0.03 0.01 -0.06 -0.12 -0.14 -0.10 0.09 0.10 -0.00 -0.03 0.05 0.02 0.24 0.17 0.00 -0.06 0.01 -0.04 -0.03 -0.05 -0.02 -0.03 -0.03 -0.02 0.01 -0.08 -0.03 -0.02 -0.10 -0.00 0.00 -0.01 0.00 -0.00 -0.01 -0.00 0.00 0.01 0.01 -0.00 0.01 0.01 0.00 -0.01 -0.01 -0.00 0.00 -0.00 0.09 0.29 0.29 0.12 -0.28 0.11 0.05 -0.25 0.01 -0.14 -0.04 0.26 -0.03 -0.15 0.08 0.19 -0.00 -0.13 0.07 -0.10 0.01 0.06 -0.06 -0.01 -0.11 0.12 0.11 0.08 0.10 0.02 -0.04 -0.01 -0.07 -0.08 -0.09 -0.07 0.02 -0.07 -0.06 -0.02 -0.11 0.02 -0.01 -0.02 -0.01 0.01 0.01 0.02 -0.00 0.02 0.02 0.00 -0.02 -0.02 -0.00 -0.00 -0.01 -0.03 -0.02 -0.06 0.01 -0.04 -0.01 0.01 -0.01 -0.01 -0.01 -0.03 0.02 -0.00 -0.01 -0.01 -0.02 -0.01 -0.03 0.09 0.00 -0.02 -0.10 -0.02 0.10 -0.00 0.04 0.07 -0.01 -0.07 -0.04 0.05 0.09 -0.05 -0.22 -0.13 -0.00 -0.01 0.06 0.02 0.26 0.29 0.19 0.03 0.00 -0.01 -0.02 0.01 0.01 0.09 0.01 -0.01 -0.00 0.01 -0.02 -0.03 -0.00 0.02 -0.01 0.00 0.03 0.02 -0.01 -0.04 -0.00 -0.01 0.02 -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 0.01 0.01 -0.00 -0.00 -0.01 -0.06 0.14 0.18 0.03 -0.13 0.10 -0.03 -0.15 -0.12 -0.05 -0.09 -0.04 -0.10 -0.04 0.06 -0.04 0.09 0.05 0.01 0.15 -0.11 0.09 0.10 -0.10 -0.54 -0.31 -0.20 0.02 0.02 0.01 0.03 0.04 -0.07 -0.04 -0.01 0.01 0.05 -0.01 -0.10 0.01 -0.01 0.02 0.00 0.01 0.01 0.00 -0.01 -0.00 -0.00 -0.00 -0.01 0.01 0.02 0.02 -0.00 -0.01 -0.01 0.01 0.00 0.00 -0.03 0.02 0.01 -0.01 0.06 -0.01 -0.05 -0.01 0.04 -0.03 -0.06 -0.05 -0.01 0.04 -0.10 0.05 -0.04 0.05 0.05 -0.03 0.00 0.02 -0.00 0.01 0.00 0.00 -0.02 -0.02 -0.00 0.00 0.06 0.01 -0.01 0.01 0.02 0.01 -0.03 -0.05 -0.03 -0.00 -0.03 -0.03 -0.09 -0.01 0.04 0.10 -0.16 -0.05 0.05 0.06 -0.05 -0.14 0.01 0.13 -0.04 0.00 0.21 0.08 0.03 -0.19 0.00 0.04 0.13 -0.01 -0.02 -0.02 0.01 0.00 0.00 0.01 0.01 -0.01 0.02 0.00 0.01 0.01 0.01 0.01 0.02 -0.02 -0.01 0.04 -0.08 -0.02 0.02 0.04 0.01 -0.06 0.05 -0.05 0.05 -0.02 -0.12 -0.05 0.04 0.02 -0.10 -0.02 0.04 -0.05 0.03 -0.03 0.02 0.04 -0.06 0.12 0.06 0.03 -0.05 0.01 0.07 0.18 0.20 -0.35 -0.17 -0.00 0.18 0.27 0.01 -0.55 0.08 0.05 0.03 0.03 0.03 0.01 0.02 0.02 0.01 0.02 0.02 0.03 0.01 0.03 0.03 0.02 -0.04 -0.03 0.00 0.00 -0.01 -0.02 0.02 0.01 -0.02 0.00 -0.03 -0.06 -0.01 0.00 0.05 0.07 -0.07 -0.00 -0.01 -0.02 0.08 -0.04 0.06 0.04 -0.03 0.02 0.01 0.02 0.03 0.00 -0.01 -0.02 0.00 0.01 -0.01 0.04 -0.01 -0.01 -0.02 0.02 -0.02 0.01 -0.01 0.00 -0.01 -0.03 -0.00 0.01 -0.04 0.06 0.02 0.02 -0.02 0.01 -0.03 -0.01 0.04 -0.02 0.01 -0.01 0.00 -0.04 0.00 0.01 -0.02 -0.05 -0.02 0.01 0.07 0.18 0.21 -0.01 -0.02 0.01 -0.01 -0.05 0.03 -0.04 -0.07 -0.10 -0.02 -0.08 -0.07 -0.01 0.15 0.11 0.05 -0.05 0.02 0.02 0.04 0.03 -0.06 0.02 -0.07 0.03 -0.05 -0.14 -0.08 0.06 0.04 -0.10 -0.01 0.04 -0.04 0.05 -0.05 0.05 0.07 -0.08 0.06 0.02 0.01 -0.04 -0.07 -0.02 0.03 -0.07 -0.04 0.08 0.01 -0.01 0.01 0.06 -0.05 -0.07 -0.02 0.04 -0.11 -0.28 -0.16 -0.06 -0.30 -0.19 -0.09 -0.30 -0.32 -0.03 -0.30 -0.30 -0.01 0.19 0.15 0.01 0.01 -0.01 -0.06 0.04 0.01 -0.06 -0.04 -0.08 -0.16 -0.03 -0.00 -0.01 -0.01 0.06 -0.02 -0.02 0.02 0.20 -0.10 0.16 0.10 -0.07 0.04 0.01 0.04 0.08 0.00 -0.02 -0.05 0.02 0.03 -0.02 0.09 -0.02 -0.03 -0.07 0.03 -0.05 0.01 -0.03 0.00 -0.03 0.01 -0.00 0.02 -0.00 0.00 0.05 0.07 0.01 0.01 -0.01 0.01 0.05 0.01 -0.05 0.03 0.00 -0.08 -0.02 0.01 0.07 0.01 0.01 -0.03 -0.03 -0.08 -0.09 -0.00 0.01 -0.01 0.00 0.02 -0.01 0.01 0.03 0.04 0.01 0.03 0.03 -0.00 -0.06 -0.05 0.14 -0.12 0.04 0.06 0.11 0.09 -0.14 0.04 -0.18 0.06 -0.13 -0.34 -0.21 0.16 0.12 -0.24 -0.03 0.08 -0.10 0.11 -0.13 0.14 0.16 -0.22 0.14 0.03 0.01 -0.07 -0.01 0.00 -0.04 -0.05 0.11 0.07 0.02 -0.07 -0.09 0.00 0.20 -0.04 0.01 0.03 0.04 0.12 0.08 0.02 0.13 0.09 0.04 0.14 0.14 0.01 0.14 0.13 -0.01 -0.08 -0.06 0.02 0.04 -0.06 0.03 -0.03 0.00 0.06 -0.04 0.02 0.03 -0.03 -0.01 -0.00 -0.00 -0.01 0.03 0.01 0.05 0.09 -0.09 0.00 -0.20 -0.08 0.06 0.02 0.13 -0.08 0.05 -0.11 -0.09 0.01 0.04 -0.03 -0.05 0.10 0.23 0.03 0.10 -0.01 -0.07 -0.07 -0.01 0.02 -0.01 0.01 -0.01 0.01 -0.01 -0.14 -0.01 0.02 -0.01 0.01 0.00 -0.02 0.00 0.00 -0.00 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 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.40 -0.06 -0.04 0.02 0.07 -0.08 0.04 -0.11 -0.11 0.04 -0.14 -0.14 -0.00 -0.06 -0.06 -0.25 -0.01 0.09 0.01 0.19 -0.14 0.04 0.18 -0.12 0.10 0.41 0.38 0.08 -0.00 -0.03 -0.00 0.02 -0.01 -0.03 -0.00 0.01 0.01 -0.01 -0.02 0.02 0.00 -0.01 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.01 0.02 -0.01 -0.00 -0.10 0.02 0.05 0.13 -0.02 0.04 0.08 0.14 0.03 -0.05 -0.04 -0.15 -0.05 -0.02 -0.07 -0.07 -0.04 -0.04 -0.06 0.06 0.03 0.03 -0.05 -0.07 -0.02 -0.00 0.02 0.01 0.07 0.03 -0.01 0.06 0.15 -0.03 -0.01 -0.03 -0.07 -0.11 -0.01 -0.09 -0.12 0.22 0.28 0.03 -0.09 0.04 -0.02 0.01 0.03 -0.01 -0.04 0.08 0.07 -0.21 -0.04 0.04 -0.05 -0.07 0.03 0.07 0.03 -0.08 -0.04 -0.01 -0.02 0.00 -0.01 -0.06 0.04 -0.02 0.05 0.01 -0.01 0.02 0.04 -0.06 -0.03 -0.05 -0.09 -0.04 -0.05 -0.20 0.04 -0.01 0.05 -0.03 -0.03 0.03 -0.03 -0.02 0.08 -0.09 -0.11 -0.01 0.01 0.04 0.07 0.06 0.02 -0.09 -0.01 0.11 0.11 0.18 0.10 -0.17 -0.19 -0.02 0.02 -0.06 0.04 0.18 0.06 -0.16 -0.05 0.06 -0.04 -0.18 -0.02 0.33 -0.05 0.05 0.11 0.00 0.05 0.13 0.00 0.15 0.10 0.07 0.14 0.10 -0.06 -0.01 -0.03 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.01 0.02 0.00 -0.01 0.00 -0.01 0.29 -0.14 0.04 0.01 0.00 -0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 -0.01 -0.00 -0.00 0.00 0.01 -0.00 -0.00 0.00 0.00 -0.01 -0.01 -0.00 0.00 -0.01 0.00 0.00 0.00 0.01 0.00 0.00 -0.10 0.04 -0.02 -0.04 -0.01 -0.01 -0.18 -0.07 -0.09 -0.10 0.22 -0.01 0.09 -0.23 -0.01 0.12 0.13 0.06 0.04 0.00 0.04 0.25 -0.00 -0.07 -0.07 0.15 -0.14 0.03 -0.07 0.06 -0.11 0.07 -0.05 -0.02 -0.12 0.15 -0.27 -0.01 0.05 0.02 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 0.01 0.00 -0.00 -0.00 -0.01 -0.01 0.00 0.00 -0.00 -0.00 -0.01 -0.02 -0.01 0.04 0.02 0.01 -0.19 0.05 -0.09 -0.14 0.19 -0.05 0.15 0.03 0.03 -0.22 0.12 -0.05 -0.21 0.10 -0.07 -0.22 0.06 -0.03 0.11 -0.03 0.02 0.11 -0.07 0.09 -0.27 0.05 0.00 -0.00 -0.01 0.03 0.01 -0.01 -0.00 -0.14 -0.08 0.02 0.11 -0.02 0.00 -0.08 -0.21 0.02 -0.06 -0.03 -0.02 -0.02 -0.04 -0.05 -0.05 -0.04 -0.04 -0.11 0.09 0.08 0.04 -0.06 -0.08 -0.01 0.00 0.02 0.03 0.07 -0.02 -0.06 0.04 0.14 -0.03 0.01 -0.04 -0.08 0.05 -0.03 0.04 0.04 -0.17 0.27 0.12 0.02 0.03 -0.00 -0.04 -0.01 0.06 -0.05 -0.00 -0.09 0.15 0.01 0.02 0.10 0.11 0.06 -0.07 -0.04 0.10 0.02 -0.01 0.06 -0.02 0.03 0.10 -0.06 0.00 -0.08 0.01 0.01 -0.04 -0.04 0.07 0.03 0.07 0.00 -0.03 -0.01 -0.25 0.07 0.05 0.03 -0.04 -0.07 0.04 -0.07 -0.10 0.04 -0.05 -0.09 -0.03 0.01 0.05 0.08 0.07 0.02 -0.08 0.01 0.10 0.12 0.18 0.05 -0.09 0.10 0.05 -0.00 0.08 0.00 -0.08 0.03 0.06 -0.04 -0.07 0.22 0.14 0.11 -0.24 0.07 -0.01 -0.16 -0.02 -0.02 -0.18 -0.01 -0.22 -0.11 -0.11 -0.21 -0.11 0.06 0.01 0.03 0.01 0.02 -0.05 -0.01 0.01 0.00 0.00 0.04 -0.00 -0.02 0.01 0.04 -0.04 -0.02 -0.01 -0.00 -0.01 -0.00 0.00 0.04 0.01 -0.01 -0.01 -0.03 0.07 -0.05 -0.07 -0.03 0.05 0.06 0.03 0.02 -0.03 -0.01 -0.07 0.08 0.05 -0.06 -0.02 0.01 -0.05 0.07 -0.03 -0.05 0.00 -0.05 -0.07 0.08 0.01 0.01 -0.00 0.07 0.02 0.02 -0.02 -0.03 -0.05 0.06 0.06 -0.07 -0.07 -0.01 -0.03 0.01 0.07 0.02 -0.05 0.09 -0.07 -0.20 0.13 -0.07 0.19 0.13 -0.15 -0.21 -0.15 0.18 0.21 -0.15 0.09 0.05 -0.05 0.11 -0.12 -0.02 -0.09 0.09 0.01 -0.07 -0.01 0.02 0.05 -0.04 0.06 0.10 -0.02 0.03 0.06 0.05 0.02 -0.05 -0.02 -0.03 -0.02 0.06 0.01 -0.07 0.01 -0.11 0.08 -0.07 -0.09 -0.02 0.05 0.06 0.04 0.06 0.02 -0.09 -0.09 -0.06 0.01 0.02 0.02 0.16 -0.04 0.14 -0.19 0.10 0.13 -0.22 -0.15 -0.25 0.14 0.06 -0.26 0.11 0.04 0.15 -0.18 -0.03 -0.05 0.11 0.04 -0.03 -0.00 0.07 -0.04 0.01 -0.00 -0.03 -0.08 0.02 0.11 -0.07 0.02 0.02 -0.01 0.01 -0.08 -0.00 0.03 0.05 0.09 -0.10 0.07 0.10 0.06 -0.09 -0.11 -0.06 -0.05 0.05 -0.01 0.16 -0.19 -0.06 0.12 -0.00 -0.03 0.13 -0.17 0.10 0.06 0.01 0.06 0.07 -0.00 -0.08 -0.06 -0.01 -0.04 0.03 0.02 0.05 -0.05 0.07 -0.07 0.05 -0.01 0.04 -0.04 -0.03 -0.06 -0.09 -0.00 0.00 0.02 -0.04 -0.11 0.03 -0.04 0.11 0.01 -0.06 -0.12 -0.05 0.10 0.13 -0.07 0.08 -0.01 -0.05 0.02 0.24 0.04 0.20 -0.07 -0.06 0.13 0.03 -0.03 -0.09 0.09 -0.12 -0.19 0.05 -0.07 -0.12 -0.14 -0.06 0.11 0.01 0.04 0.03 -0.11 -0.02 0.10 -0.11 0.22 -0.22 0.17 0.10 0.00 -0.02 -0.08 0.00 -0.01 -0.09 0.07 0.07 0.08 -0.09 -0.02 -0.10 -0.03 -0.07 0.07 -0.03 0.07 0.06 -0.04 -0.08 -0.01 0.16 0.11 -0.03 0.14 -0.01 0.10 -0.12 -0.02 -0.05 0.10 0.05 -0.04 -0.01 0.08 0.08 0.00 -0.04 0.01 0.02 -0.04 -0.12 0.07 0.01 -0.02 0.03 0.08 -0.02 0.08 -0.08 0.02 0.04 0.06 -0.10 -0.05 -0.00 0.00 0.03 0.04 0.00 -0.02 -0.08 0.18 -0.16 0.06 -0.03 -0.07 -0.05 0.16 -0.18 0.04 -0.14 0.03 -0.14 -0.12 0.08 -0.05 0.07 0.00 0.06 -0.01 -0.01 -0.12 0.04 -0.11 0.14 -0.01 -0.05 -0.10 0.02 -0.01 0.09 0.14 0.04 -0.04 0.01 0.01 0.04 0.02 0.03 -0.04 0.06 0.00 0.05 -0.02 -0.04 -0.06 0.02 -0.06 0.04 0.04 0.02 -0.05 -0.09 0.02 0.17 -0.19 -0.00 -0.02 0.00 0.00 0.00 -0.02 -0.03 -0.05 0.04 0.06 -0.11 -0.05 0.00 -0.03 0.04 -0.07 0.11 0.11 -0.15 -0.18 0.28 -0.19 0.02 -0.21 -0.06 0.03 0.16 0.02 -0.01 0.10 -0.18 -0.11 -0.19 0.05 0.04 0.10 0.21 0.07 -0.01 -0.02 -0.03 -0.00 -0.03 0.01 -0.08 -0.11 -0.11 -0.06 -0.11 0.04 -0.03 0.07 0.01 0.02 -0.04 -0.03 0.03 0.01 0.10 0.01 0.01 -0.02 -0.04 -0.05 -0.02 -0.05 0.03 0.01 -0.02 0.03 -0.12 -0.04 -0.09 0.19 0.08 0.10 -0.03 0.15 0.03 0.04 -0.08 -0.10 -0.16 -0.09 0.09 0.05 -0.11 0.03 -0.02 0.19 -0.02 0.05 -0.07 0.07 0.08 -0.11 0.03 -0.07 -0.08 0.02 -0.07 0.07 0.00 0.04 -0.00 -0.00 -0.08 0.02 -0.07 0.07 0.01 -0.00 -0.08 0.00 -0.02 0.05 0.09 0.03 -0.01 0.00 0.00 0.01 0.01 0.01 -0.01 0.02 -0.00 0.02 -0.01 -0.01 -0.02 0.01 -0.02 0.02 0.01 0.01 0.26 0.19 0.18 -0.01 0.09 0.04 0.06 0.01 -0.01 0.09 -0.03 -0.07 0.17 -0.16 -0.21 -0.04 -0.04 0.11 -0.07 -0.07 0.12 -0.25 -0.21 0.25 -0.05 -0.29 -0.05 0.13 -0.15 -0.07 0.02 0.11 0.00 -0.03 0.05 -0.09 -0.08 -0.13 -0.00 0.07 0.06 0.09 0.03 -0.01 -0.02 -0.01 -0.00 -0.02 0.00 -0.04 -0.05 -0.05 -0.03 -0.05 0.01 -0.02 0.02 0.00 0.00 -0.01 -0.00 0.00 0.00 -0.00 -0.02 0.00 0.01 -0.00 -0.01 -0.10 -0.10 0.04 0.03 0.03 -0.09 -0.01 -0.00 -0.01 0.02 0.00 0.00 -0.01 0.02 0.01 0.01 -0.01 -0.01 -0.01 -0.01 0.01 0.01 -0.02 0.01 -0.01 0.01 0.00 0.01 -0.02 0.02 0.01 0.11 0.01 -0.11 0.13 0.19 -0.05 -0.17 -0.06 -0.15 0.03 -0.04 0.04 0.10 0.04 0.10 -0.04 -0.24 0.28 0.00 0.09 0.06 -0.14 0.06 -0.13 0.02 0.01 0.01 -0.01 0.07 -0.03 0.11 -0.05 0.02 -0.08 0.02 -0.04 0.05 -0.10 0.13 0.03 0.03 0.02 0.02 0.01 -0.02 0.03 0.00 0.01 -0.00 -0.01 0.01 -0.01 -0.01 0.01 -0.01 -0.02 0.00 0.00 0.01 0.00 -0.00 0.01 -0.03 -0.02 0.03 0.02 -0.03 0.01 0.03 0.16 0.06 -0.21 -0.01 0.07 -0.06 -0.01 -0.17 0.25 -0.01 0.17 -0.24 -0.14 0.37 0.11 -0.02 -0.03 0.04 0.01 -0.07 -0.09 -0.13 -0.09 -0.18 -0.09 -0.12 0.12 -0.03 0.03 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.01 0.00 -0.00 0.00 -0.00 -0.00 0.01 0.00 0.00 -0.00 -0.01 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -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 -0.04 -0.01 0.06 -0.01 -0.01 -0.01 -0.00 0.00 -0.04 0.01 0.02 -0.03 -0.02 -0.01 0.03 0.00 -0.01 0.07 0.02 -0.01 -0.03 0.00 0.09 0.08 -0.02 -0.07 -0.05 -0.02 -0.05 -0.07 0.02 0.10 0.11 0.02 0.12 0.09 0.00 -0.08 -0.07 -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 -0.03 -0.00 0.06 0.04 -0.17 0.08 0.03 -0.21 0.04 -0.00 -0.01 0.08 0.02 -0.17 -0.07 -0.35 -0.31 -0.07 -0.37 -0.35 -0.02 -0.03 -0.02 -0.04 -0.04 -0.03 -0.05 -0.39 -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 -0.02 0.01 -0.00 -0.00 0.02 0.00 0.00 -0.00 -0.01 -0.01 -0.00 -0.01 -0.00 0.01 -0.00 0.00 0.00 0.01 0.00 -0.00 0.00 -0.00 0.00 -0.01 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.01 -0.01 0.06 -0.01 -0.14 0.01 0.04 0.01 -0.02 -0.02 0.08 -0.06 -0.01 0.06 0.06 0.01 -0.09 0.04 0.02 -0.13 -0.02 0.02 0.07 -0.00 0.03 0.03 -0.00 -0.02 -0.02 -0.01 -0.01 -0.02 0.01 0.04 0.04 0.00 0.05 0.03 0.00 -0.02 -0.02 0.00 -0.01 0.00 -0.01 -0.00 0.01 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.01 0.01 0.01 0.01 0.01 -0.01 0.01 0.00 -0.00 0.01 0.00 -0.00 0.01 0.01 0.01 0.01 -0.00 -0.00 -0.18 -0.06 0.41 -0.24 -0.05 0.48 -0.07 -0.05 0.09 -0.19 -0.05 0.46 -0.02 -0.15 -0.14 -0.04 -0.15 -0.15 -0.01 -0.05 -0.04 -0.03 -0.05 -0.04 -0.03 -0.18 -0.15 -0.00 -0.01 0.01 0.03 -0.02 -0.00 -0.10 -0.02 -0.11 -0.01 0.00 0.17 0.00 -0.03 0.02 -0.02 0.02 0.04 0.01 -0.04 0.03 0.09 0.17 0.07 0.17 0.10 -0.18 0.06 -0.07 -0.08 -0.13 -0.10 0.09 -0.09 0.04 0.00 0.17 -0.09 -0.02 -0.05 0.06 -0.01 -0.19 0.11 -0.07 0.02 0.01 0.01 0.04 -0.06 0.05 0.03 -0.01 0.02 0.05 -0.02 0.02 -0.01 -0.01 -0.02 -0.00 0.02 -0.01 -0.03 0.00 -0.02 0.02 0.00 0.00 0.01 0.01 -0.02 0.00 -0.01 0.01 0.01 0.02 -0.01 0.00 -0.00 0.02 -0.02 -0.00 0.00 -0.11 0.12 -0.05 0.25 0.17 -0.17 0.07 -0.03 -0.04 0.09 -0.08 -0.12 0.11 -0.09 -0.14 -0.22 -0.12 0.13 -0.18 -0.08 0.05 -0.10 -0.07 0.03 -0.32 -0.15 -0.15 -0.27 0.12 0.03 0.02 -0.06 0.05 0.06 -0.01 0.07 -0.03 0.09 0.04 -0.09 0.00 0.03 -0.01 -0.03 -0.04 -0.02 -0.05 -0.04 0.03 -0.03 -0.04 0.01 -0.04 -0.03 -0.03 -0.06 -0.04 -0.00 -0.00 0.00 -0.01 0.00 0.00 0.02 -0.03 -0.00 -0.00 -0.01 -0.01 -0.03 -0.09 0.06 0.01 0.02 -0.02 -0.02 0.01 -0.02 -0.02 -0.05 0.00 -0.02 0.00 0.04 -0.01 0.01 0.01 0.02 0.02 -0.02 0.02 -0.01 -0.01 -0.01 0.04 0.01 0.02 -0.01 -0.02 0.01 0.15 -0.01 0.01 0.05 0.08 -0.02 -0.08 -0.00 0.07 0.04 0.04 0.03 -0.08 -0.00 0.01 0.03 -0.03 -0.13 -0.02 -0.06 -0.05 0.02 -0.03 0.03 -0.09 -0.08 0.04 0.09 -0.01 0.03 0.01 0.08 0.05 0.06 -0.05 0.01 -0.02 0.06 -0.06 0.06 0.06 0.02 -0.04 0.03 -0.03 -0.04 0.04 -0.00 0.00 0.01 -0.02 0.02 0.04 0.00 -0.01 0.00 0.05 0.02 -0.02 0.04 0.01 -0.01 0.00 0.00 0.01 0.05 0.05 0.02 0.07 0.22 0.04 0.10 0.01 0.00 0.11 -0.04 -0.09 -0.13 0.05 -0.06 -0.02 -0.02 0.06 -0.03 -0.10 -0.15 -0.06 -0.15 -0.10 0.07 -0.32 -0.33 0.02 -0.34 -0.28 -0.13 -0.36 -0.29 -0.01 -0.01 0.04 -0.04 0.02 0.02 -0.03 -0.06 -0.16 -0.03 -0.10 0.12 0.01 0.01 -0.01 -0.01 0.01 0.06 -0.13 0.04 -0.12 -0.05 -0.21 0.09 0.19 0.01 0.02 -0.06 0.07 0.05 0.03 0.03 -0.05 0.06 -0.02 -0.06 0.10 0.29 0.02 0.14 -0.04 -0.14 -0.07 0.01 -0.06 -0.00 -0.01 -0.01 -0.02 -0.01 0.04 -0.01 -0.01 -0.00 0.01 0.01 0.01 -0.00 -0.01 -0.00 0.04 0.01 0.02 0.00 -0.00 0.00 -0.00 0.03 0.03 -0.01 -0.02 -0.00 -0.01 -0.01 -0.02 -0.01 -0.01 0.01 -0.00 0.00 -0.01 0.01 -0.02 -0.02 -0.07 -0.29 0.06 0.21 -0.35 0.07 0.05 0.05 0.16 -0.07 0.21 0.32 0.13 -0.13 -0.08 0.12 0.06 -0.08 0.05 0.03 -0.04 0.00 -0.02 0.00 0.02 0.20 -0.03 -0.12 -0.01 -0.03 -0.01 -0.02 -0.00 0.01 0.01 0.01 0.03 0.03 0.02 -0.03 0.01 -0.01 0.01 0.03 0.03 0.01 0.03 0.02 -0.01 0.10 0.10 0.00 0.10 0.09 0.03 0.10 0.09 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.02 -0.01 0.01 0.00 0.00 -0.02 -0.04 -0.11 0.02 0.01 0.01 -0.02 0.00 0.00 0.00 -0.00 -0.01 -0.01 -0.02 0.00 0.02 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.01 -0.01 -0.00 -0.00 -0.00 0.01 0.01 0.11 0.00 -0.02 0.03 0.08 -0.01 -0.06 -0.01 0.06 0.02 0.02 0.02 -0.04 -0.03 0.02 -0.00 -0.01 -0.07 -0.01 -0.06 -0.01 0.03 -0.04 0.04 0.14 0.12 0.01 -0.02 -0.08 0.00 -0.05 -0.04 0.02 0.01 -0.04 0.00 -0.03 0.01 -0.04 -0.07 -0.06 0.02 0.01 0.01 -0.03 0.02 0.02 -0.01 -0.00 -0.01 -0.00 -0.01 -0.01 -0.01 0.01 0.01 0.01 0.01 -0.00 0.01 0.00 0.00 -0.00 -0.00 0.01 0.03 0.01 0.01 0.06 0.16 0.03 0.06 0.02 0.02 -0.01 -0.03 0.07 -0.18 -0.02 0.15 -0.10 -0.03 0.23 0.03 0.09 0.02 -0.01 0.02 0.00 0.15 0.35 0.30 0.09 0.31 0.29 0.04 0.37 0.37 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.01 -0.00 -0.00 -0.00 -0.02 0.03 -0.02 0.00 -0.01 -0.02 0.00 -0.00 0.00 0.00 0.01 0.00 0.01 -0.01 -0.02 -0.00 0.00 0.01 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.02 -0.00 0.00 0.00 -0.00 -0.01 -0.04 0.03 -0.04 -0.00 0.07 -0.00 0.00 -0.02 -0.02 0.02 -0.02 0.06 0.02 -0.08 -0.07 0.01 0.10 0.06 0.00 -0.03 0.04 -0.01 -0.09 -0.00 -0.03 -0.03 0.01 0.01 -0.00 0.01 -0.01 0.02 0.01 0.01 -0.01 0.02 -0.01 0.02 -0.01 0.02 0.01 -0.01 -0.00 -0.01 0.02 -0.03 -0.02 -0.00 0.01 0.01 -0.00 0.01 0.01 0.00 -0.00 -0.00 -0.01 -0.01 0.00 -0.01 -0.00 -0.00 0.01 0.01 -0.01 -0.02 -0.01 -0.01 -0.02 -0.07 0.01 0.07 0.04 -0.20 -0.24 -0.07 0.46 -0.26 -0.07 0.61 -0.17 -0.08 0.34 -0.01 0.00 0.00 0.01 -0.00 0.03 0.01 -0.06 -0.06 0.03 -0.06 -0.05 -0.03 -0.07 -0.07 0.02 0.01 -0.04 0.06 -0.03 -0.03 -0.01 -0.09 -0.01 0.02 -0.10 -0.01 -0.01 -0.01 0.01 -0.00 0.00 0.01 0.09 -0.05 0.05 0.03 0.11 -0.11 -0.01 -0.26 -0.11 -0.03 0.06 0.09 -0.02 -0.03 0.04 -0.01 0.04 -0.03 -0.01 0.40 0.07 -0.27 0.09 0.23 -0.02 0.01 -0.02 0.01 0.01 -0.01 0.01 -0.00 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 -0.01 -0.00 0.01 0.00 0.00 0.00 0.00 0.00 -0.01 0.00 -0.00 0.01 0.01 0.01 -0.01 0.01 -0.00 0.01 -0.01 -0.00 -0.00 0.15 0.09 -0.06 -0.11 -0.51 -0.11 -0.06 0.13 0.12 0.01 0.04 0.00 -0.04 0.11 0.08 -0.15 -0.08 0.06 -0.10 -0.02 -0.00 0.07 0.07 -0.09 0.11 -0.27 -0.04 -0.00 0.03 -0.01 -0.02 -0.01 0.05 0.04 -0.00 -0.05 0.04 0.03 -0.06 0.01 0.00 -0.04 0.00 0.01 -0.00 -0.01 -0.03 -0.02 0.03 0.02 0.01 0.01 -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 0.01 -0.01 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.01 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.01 0.00 -0.01 0.00 -0.01 -0.00 0.00 -0.00 0.00 0.01 0.00 0.01 0.05 0.06 -0.02 -0.06 -0.07 0.00 0.04 0.05 -0.02 -0.04 -0.05 0.01 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.01 -0.00 0.00 0.01 0.02 0.00 0.01 0.00 -0.01 0.00 0.00 0.01 -0.02 0.00 0.01 -0.01 0.00 0.01 -0.09 -0.42 -0.35 0.08 0.42 0.36 -0.07 -0.31 -0.28 0.04 0.32 0.28 0.01 -0.00 0.01 0.01 0.00 -0.01 0.02 -0.01 -0.01 0.02 0.00 -0.06 -0.00 -0.00 0.03 0.24 0.01 -0.01 -0.00 0.02 0.03 -0.02 0.02 -0.01 -0.01 -0.04 -0.03 -0.01 0.02 0.10 0.01 -0.01 -0.02 -0.01 0.00 -0.00 -0.01 0.00 -0.03 0.02 -0.02 0.00 -0.10 0.04 0.09 0.02 0.15 -0.05 -0.01 -0.02 0.04 -0.02 -0.05 0.02 0.03 -0.07 0.05 -0.01 0.00 -0.04 0.04 -0.10 0.05 -0.11 0.02 -0.08 -0.01 0.03 -0.03 0.02 -0.03 -0.03 -0.05 -0.09 0.10 -0.05 0.09 -0.05 -0.11 -0.11 0.12 -0.11 0.13 -0.10 0.09 0.01 -0.01 0.09 -0.02 0.03 0.00 0.03 0.11 0.00 -0.02 -0.04 0.00 -0.02 -0.03 -0.01 -0.00 -0.00 0.06 0.03 -0.02 0.02 -0.02 0.02 -0.04 -0.04 0.05 0.20 0.07 0.08 0.07 0.20 -0.02 0.23 -0.00 -0.35 -0.02 0.04 0.16 -0.23 -0.03 0.17 -0.12 0.03 0.07 -0.01 0.01 0.19 -0.04 -0.00 -0.13 -0.29 0.02 0.11 -0.30 -0.03 -0.12 0.08 -0.05 -0.05 0.02 0.01 -0.03 0.04 -0.03 -0.02 0.00 0.06 -0.17 -0.02 0.01 0.09 -0.11 0.01 0.00 0.00 0.00 0.05 -0.06 0.07 -0.04 -0.03 -0.13 -0.06 0.06 0.07 0.25 0.03 -0.04 -0.07 -0.03 0.01 -0.01 -0.03 0.01 -0.09 0.07 -0.10 -0.02 -0.24 0.11 0.20 0.07 -0.08 -0.04 -0.01 -0.01 0.00 -0.05 0.02 0.02 -0.03 0.02 -0.01 -0.01 0.01 0.01 -0.02 0.04 -0.02 0.06 -0.01 0.03 0.03 -0.01 0.00 -0.02 0.01 0.01 0.02 0.04 -0.04 0.02 -0.04 0.03 0.05 0.05 -0.06 0.05 -0.06 0.05 -0.04 -0.00 0.00 0.15 -0.12 0.04 0.14 0.12 0.27 0.03 -0.08 -0.10 0.00 -0.03 -0.03 0.02 -0.05 -0.05 0.17 0.07 -0.07 0.02 -0.05 0.06 -0.09 -0.11 0.11 0.47 0.21 0.19 -0.01 -0.15 -0.06 -0.04 0.03 0.00 -0.01 -0.01 -0.08 0.07 -0.03 0.02 0.02 -0.03 0.08 0.01 -0.00 -0.08 0.02 -0.02 0.05 0.13 -0.01 -0.05 0.13 -0.02 0.03 -0.04 0.02 0.01 0.00 0.00 0.01 -0.01 -0.00 -0.00 0.00 -0.01 0.02 -0.00 0.00 -0.01 0.00 -0.00 -0.00 -0.00 -0.00 -0.01 0.02 -0.00 -0.00 0.03 0.06 0.02 -0.00 -0.00 -0.04 -0.00 0.01 0.02 -0.02 -0.03 0.02 -0.11 -0.11 -0.07 0.00 0.01 -0.01 0.05 0.02 -0.00 -0.02 0.00 0.01 -0.00 0.00 0.00 0.01 -0.00 -0.00 0.01 0.00 -0.02 0.01 -0.00 -0.01 -0.00 -0.00 0.01 -0.00 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 0.02 0.09 0.02 0.03 -0.11 -0.02 -0.01 -0.00 0.00 -0.01 0.01 0.01 -0.02 0.02 0.03 -0.04 -0.04 0.01 -0.01 -0.00 0.00 -0.03 -0.01 0.02 0.60 0.61 0.43 -0.02 0.01 0.01 -0.05 -0.02 0.10 -0.02 -0.01 0.04 0.01 0.01 -0.01 0.01 0.01 -0.04 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 -0.01 -0.01 0.00 0.00 -0.00 0.01 -0.00 -0.00 0.02 -0.00 0.03 -0.01 0.00 -0.02 0.03 -0.01 -0.01 0.01 -0.01 -0.05 -0.03 -0.00 -0.01 0.01 -0.04 0.03 0.05 0.03 0.01 -0.01 -0.00 -0.01 0.01 0.01 -0.01 0.02 0.02 -0.02 -0.00 -0.01 -0.02 -0.05 0.02 0.03 -0.04 0.01 0.07 -0.02 0.01 0.06 -0.00 -0.00 -0.03 0.07 0.03 -0.13 0.03 0.00 -0.05 -0.02 -0.01 0.04 -0.03 -0.00 0.01 -0.03 -0.01 0.03 0.01 -0.00 -0.00 -0.00 -0.01 0.01 -0.01 0.00 -0.01 -0.01 -0.01 0.01 -0.01 0.02 -0.01 0.01 0.00 0.00 -0.00 -0.10 0.00 0.09 -0.00 0.02 0.01 0.01 0.02 0.00 0.03 0.03 0.04 -0.04 -0.04 0.01 0.01 -0.01 0.00 0.01 -0.01 0.01 0.01 -0.01 -0.05 -0.08 -0.07 -0.04 0.02 0.09 -0.36 -0.14 0.73 -0.14 -0.04 0.28 0.02 0.03 -0.09 0.12 0.04 -0.27 0.00 0.01 0.03 -0.01 0.02 0.01 -0.03 -0.01 0.00 -0.03 -0.00 -0.02 0.00 -0.02 -0.02 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.02 0.01 -0.00 0.01 -0.00 0.00 -0.02 -0.00 0.00 0.01 0.01 0.01 0.00 -0.01 0.01 -0.02 -0.02 -0.01 0.01 0.01 -0.00 -0.00 -0.01 -0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.01 0.02 -0.01 -0.01 0.02 0.02 -0.02 -0.01 -0.01 0.01 -0.01 -0.01 0.01 0.03 -0.01 -0.05 -0.03 -0.00 0.04 -0.01 -0.02 0.04 -0.00 -0.00 0.00 0.03 0.02 -0.05 0.01 0.04 0.04 -0.01 -0.07 -0.06 -0.01 -0.07 -0.06 -0.00 0.01 0.01 0.00 0.01 0.01 0.01 0.06 0.05 0.01 0.05 0.00 -0.04 0.01 0.00 -0.00 -0.01 -0.02 -0.00 -0.02 -0.02 -0.02 0.02 0.02 0.01 0.00 -0.00 -0.01 -0.01 0.01 -0.01 -0.01 0.01 -0.02 -0.01 -0.00 0.02 0.02 -0.02 -0.11 -0.07 0.23 0.13 0.04 -0.27 0.00 -0.03 -0.00 -0.14 -0.04 0.30 0.09 0.36 0.30 0.07 0.35 0.32 -0.02 -0.05 -0.04 -0.01 -0.07 -0.07 -0.06 -0.32 -0.31 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.01 0.00 -0.03 0.01 -0.00 0.01 0.02 0.02 -0.01 -0.00 0.00 0.01 0.01 0.01 0.01 -0.01 0.02 -0.03 -0.01 -0.02 0.01 0.01 -0.00 -0.00 -0.01 -0.00 0.01 -0.00 -0.00 0.01 0.01 0.00 0.01 0.02 -0.01 -0.02 0.03 -0.01 -0.01 -0.00 -0.00 0.01 -0.01 -0.00 0.01 0.03 0.01 -0.07 -0.03 -0.01 0.07 -0.04 -0.01 0.08 -0.00 -0.00 -0.00 0.04 0.01 -0.09 0.00 -0.04 -0.04 0.01 0.04 0.05 0.01 0.05 0.04 -0.01 -0.01 0.01 -0.01 -0.00 -0.01 -0.00 -0.04 -0.04 0.00 0.06 -0.00 -0.04 0.01 -0.00 -0.00 -0.02 -0.03 -0.00 -0.02 -0.02 -0.03 0.02 0.03 0.01 -0.00 -0.00 -0.01 -0.02 0.02 -0.01 -0.01 0.01 -0.01 0.00 0.01 0.01 -0.02 -0.02 -0.19 -0.08 0.37 0.20 0.06 -0.39 -0.01 0.00 0.01 -0.21 -0.08 0.44 -0.07 -0.26 -0.20 -0.06 -0.25 -0.23 -0.02 0.03 0.03 -0.01 0.04 0.03 0.05 0.22 0.20 0.01 0.00 -0.01 0.02 -0.01 -0.01 0.02 -0.02 0.15 -0.03 0.02 -0.07 0.01 0.00 -0.00 -0.00 -0.01 -0.03 -0.07 -0.07 -0.03 0.08 -0.07 0.15 0.06 0.10 -0.07 -0.06 0.01 0.02 0.07 0.02 -0.05 0.01 0.00 -0.08 -0.03 -0.03 -0.05 -0.11 0.05 0.09 -0.10 -0.00 0.04 0.02 0.01 -0.06 0.04 0.02 -0.01 -0.01 -0.01 0.04 -0.03 -0.01 0.08 -0.01 -0.00 0.02 0.01 0.01 0.00 0.02 0.01 -0.07 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.03 -0.32 0.00 0.16 -0.06 -0.03 -0.01 0.13 0.20 0.03 0.11 0.12 0.15 -0.12 -0.16 -0.05 -0.00 0.02 0.10 0.13 -0.12 0.06 0.09 -0.06 0.05 0.02 -0.05 -0.06 0.04 0.05 0.11 0.04 -0.21 0.22 0.05 -0.41 0.00 0.03 0.01 -0.22 -0.06 0.38 -0.00 0.01 0.01 0.00 0.02 0.01 -0.01 -0.01 -0.00 -0.01 -0.01 -0.01 -0.00 -0.01 -0.02 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.02 -0.02 0.10 -0.05 -0.00 -0.06 0.02 -0.04 0.01 0.01 -0.02 -0.06 0.04 0.16 0.02 -0.08 -0.03 -0.10 0.15 -0.04 0.08 0.08 -0.02 -0.10 -0.11 -0.01 0.11 0.01 0.01 0.01 -0.01 0.04 -0.06 0.02 -0.01 -0.02 -0.09 -0.04 0.11 0.03 0.04 -0.05 0.02 0.03 -0.04 -0.02 0.04 0.04 0.01 -0.02 0.04 0.00 0.01 -0.00 -0.01 0.01 -0.00 -0.02 -0.02 -0.03 0.02 0.00 0.01 -0.00 -0.01 0.00 0.00 0.00 -0.01 -0.01 -0.01 0.01 -0.01 0.01 -0.01 -0.00 0.00 0.00 -0.04 0.05 -0.05 0.31 -0.20 0.14 0.14 -0.30 -0.28 -0.09 -0.02 0.07 -0.05 -0.05 0.07 0.06 -0.04 -0.13 -0.36 -0.31 0.21 0.06 -0.09 -0.08 0.04 -0.04 0.01 -0.09 -0.01 0.17 0.07 0.12 -0.15 0.09 -0.00 -0.12 -0.01 0.11 -0.03 -0.08 -0.04 0.08 -0.00 0.01 0.03 0.00 0.03 0.01 -0.01 0.00 0.01 -0.03 0.01 -0.00 -0.01 -0.03 -0.01 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.17 0.02 -0.11 0.03 -0.01 0.07 0.08 -0.15 0.02 0.02 -0.02 -0.06 -0.02 -0.04 -0.00 0.05 0.03 0.04 0.01 -0.00 -0.04 -0.03 0.01 0.01 0.04 -0.01 -0.02 -0.02 -0.01 -0.01 0.01 -0.01 0.04 -0.01 0.01 0.00 0.21 -0.19 0.16 0.05 0.15 -0.01 -0.06 0.06 -0.05 -0.05 0.21 0.04 0.06 -0.04 0.05 0.01 0.07 -0.00 -0.09 0.00 -0.03 -0.07 -0.09 -0.06 0.06 0.01 0.02 -0.00 -0.03 0.01 0.01 0.01 -0.05 -0.02 -0.03 0.03 -0.05 0.05 -0.03 -0.01 0.01 0.02 -0.15 -0.14 -0.12 -0.11 0.12 -0.09 0.01 0.05 0.09 0.01 0.05 0.06 0.07 -0.06 -0.07 -0.07 -0.02 0.05 0.07 0.09 -0.07 0.01 0.06 -0.01 0.00 0.05 0.01 -0.00 -0.27 0.25 -0.03 0.42 -0.03 0.09 -0.04 -0.05 -0.10 0.32 -0.08 -0.02 -0.15 0.06 -0.01 0.02 0.08 0.01 0.12 0.03 -0.03 0.02 0.06 -0.11 0.01 -0.03 -0.02 -0.09 -0.02 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.01 -0.01 0.00 -0.00 -0.01 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.06 0.01 0.07 0.01 0.03 0.01 -0.00 -0.05 0.01 -0.02 -0.11 -0.04 0.04 0.11 0.02 -0.02 -0.01 0.00 -0.00 0.03 0.00 0.01 0.00 -0.01 0.01 0.01 -0.01 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.01 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.09 -0.09 -0.08 -0.01 0.24 -0.03 -0.06 0.27 0.24 0.24 -0.05 -0.22 0.22 -0.09 -0.33 0.27 0.05 -0.32 -0.26 -0.28 0.15 0.26 -0.02 -0.23 0.05 0.05 0.05 0.02 0.01 -0.01 -0.00 -0.02 0.01 -0.00 0.00 0.00 -0.00 -0.02 0.01 0.01 0.00 -0.01 0.00 0.01 0.00 -0.00 -0.01 -0.01 -0.00 -0.01 -0.01 0.01 0.01 0.01 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 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 -0.01 -0.06 -0.05 0.01 0.05 0.05 0.01 0.07 0.07 -0.01 -0.07 -0.07 -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 0.01 0.01 -0.00 -0.00 0.01 -0.01 -0.00 0.01 0.00 0.01 -0.01 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.01 0.00 -0.00 -0.01 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.09 0.33 0.27 -0.06 -0.31 -0.26 -0.08 -0.41 -0.36 0.09 0.42 0.36 -0.01 -0.01 -0.02 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.08 -0.00 0.01 -0.01 -0.01 -0.01 0.01 -0.03 0.00 -0.00 -0.00 0.00 -0.02 -0.03 -0.00 0.02 -0.01 -0.01 0.01 -0.08 0.03 0.03 -0.01 0.05 -0.03 0.01 -0.09 -0.04 0.01 0.03 0.03 0.05 -0.02 -0.00 0.02 -0.02 -0.11 -0.04 -0.01 -0.01 0.01 -0.01 0.02 0.01 0.00 -0.00 0.05 0.01 0.03 -0.02 0.01 -0.00 0.02 -0.00 0.01 0.01 0.02 -0.02 -0.02 -0.02 0.01 0.00 0.00 0.00 -0.01 0.00 0.01 0.01 -0.01 -0.00 -0.00 0.01 -0.01 0.01 -0.01 -0.01 0.00 0.00 0.04 0.09 0.03 0.04 0.60 -0.04 -0.11 0.07 -0.05 0.03 -0.14 -0.21 -0.13 0.19 0.13 0.25 0.16 -0.00 0.28 0.08 0.01 -0.23 -0.20 0.26 -0.07 0.08 0.03 -0.10 -0.04 -0.02 -0.00 0.13 0.00 0.01 -0.03 0.03 0.03 0.14 -0.06 -0.08 -0.02 0.02 0.00 0.00 0.02 0.00 0.01 -0.01 -0.00 -0.01 0.01 -0.02 0.02 0.01 -0.01 -0.02 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.01 -0.00 -0.00 -0.00 0.00 -0.01 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.01 -0.01 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.01 -0.00 0.00 0.00 0.00 0.01 -0.00 -0.00 0.00 -0.00 -0.00 -0.01 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.02 0.01 -0.01 -0.04 0.00 0.06 -0.00 0.01 -0.00 0.06 0.02 -0.11 -0.04 -0.03 0.06 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.02 -0.02 -0.01 0.01 0.07 -0.01 0.00 -0.02 -0.02 -0.01 -0.00 0.00 -0.01 0.00 0.02 0.02 0.01 0.00 0.02 0.01 -0.00 -0.02 -0.02 0.02 -0.01 0.01 0.00 -0.00 -0.01 -0.01 -0.03 0.01 0.08 0.18 0.06 -0.38 -0.33 -0.08 0.67 0.19 0.05 -0.41 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.01 0.01 -0.01 -0.01 -0.01 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.08 -0.02 0.02 -0.01 -0.01 -0.01 -0.02 0.04 -0.00 0.01 -0.00 -0.02 -0.01 0.03 0.01 0.04 0.02 0.05 0.05 -0.10 0.02 0.03 0.03 -0.06 -0.01 -0.02 -0.02 -0.02 -0.01 -0.01 -0.01 0.05 -0.01 -0.01 0.01 0.00 0.09 0.06 0.04 0.01 -0.01 0.00 -0.01 -0.00 -0.01 -0.01 -0.07 -0.01 -0.02 0.01 -0.01 0.00 -0.02 0.00 -0.02 -0.02 -0.00 0.04 0.04 0.02 -0.02 -0.00 -0.00 -0.01 0.01 -0.01 -0.01 -0.01 0.02 0.00 0.01 -0.00 0.01 -0.01 0.01 0.02 -0.01 -0.01 -0.31 -0.32 -0.25 -0.00 0.57 -0.07 0.13 -0.25 -0.18 -0.13 0.07 0.20 -0.03 -0.10 0.08 -0.01 0.02 0.07 0.11 0.09 -0.04 -0.09 -0.02 0.09 -0.02 0.06 0.01 0.07 0.08 0.09 0.02 -0.17 -0.05 -0.02 0.02 0.01 0.02 -0.16 -0.05 0.06 0.02 0.05 -0.00 0.01 -0.02 -0.01 -0.01 0.03 -0.00 -0.01 -0.03 0.02 -0.04 -0.02 0.03 0.04 0.02 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.01 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.01 -0.01 -0.04 -0.01 -0.03 0.00 0.01 0.06 0.06 0.01 0.07 0.05 0.00 -0.08 -0.07 0.02 0.03 0.02 0.00 -0.02 0.00 -0.01 0.02 0.01 0.01 -0.01 -0.02 -0.00 0.02 -0.00 0.01 0.00 -0.01 -0.00 -0.01 0.00 -0.00 -0.01 0.00 -0.00 0.00 0.00 -0.01 -0.00 0.01 0.00 0.01 -0.00 0.00 0.00 -0.01 -0.01 0.01 0.01 -0.00 -0.00 -0.01 0.04 0.18 0.11 0.03 0.13 0.15 -0.07 -0.38 -0.33 -0.07 -0.37 -0.34 0.10 0.44 0.40 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.02 0.00 -0.00 0.01 0.01 -0.00 -0.00 0.01 -0.01 -0.02 0.00 -0.01 -0.01 -0.00 -0.01 -0.02 0.01 0.02 -0.01 -0.00 -0.01 0.03 -0.01 0.00 -0.01 -0.01 0.01 0.01 0.01 -0.00 0.00 0.00 0.00 -0.01 -0.01 -0.00 0.06 0.01 0.01 -0.01 -0.01 0.01 -0.02 -0.01 0.00 0.00 0.00 -0.01 0.01 0.01 -0.01 0.00 -0.01 -0.00 -0.01 0.00 0.00 0.00 0.02 -0.00 0.00 -0.17 0.23 -0.21 -0.16 -0.19 0.26 -0.03 -0.05 0.03 -0.03 0.03 -0.06 0.33 -0.01 -0.02 0.08 0.11 0.07 0.02 -0.08 0.01 -0.07 0.10 0.05 0.05 -0.05 -0.11 -0.02 0.08 0.01 0.05 0.03 -0.02 0.02 -0.01 0.01 -0.03 -0.04 0.03 -0.01 0.01 0.01 -0.04 0.01 0.11 0.01 0.03 -0.03 0.03 0.00 -0.04 -0.03 0.00 0.02 0.01 0.00 -0.01 -0.10 0.20 -0.33 -0.10 -0.28 0.26 0.01 0.08 0.15 0.02 0.14 0.04 0.32 -0.16 -0.15 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.03 0.00 -0.00 0.01 -0.01 0.02 0.00 0.00 -0.00 -0.02 -0.00 0.00 0.00 0.01 0.01 0.00 -0.00 -0.01 0.00 -0.00 0.00 -0.01 0.01 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.01 0.00 0.00 -0.00 -0.01 0.01 0.04 -0.01 -0.04 -0.02 -0.01 0.01 -0.01 0.35 0.01 0.19 -0.22 0.31 -0.08 -0.01 0.01 -0.01 0.03 -0.01 0.04 -0.12 -0.33 -0.12 -0.02 0.00 0.00 -0.00 0.01 -0.00 -0.00 -0.00 0.01 0.00 0.01 -0.01 0.01 -0.01 0.01 0.00 0.00 0.00 -0.04 -0.04 -0.04 -0.03 0.04 -0.01 0.02 -0.02 -0.01 -0.01 0.01 0.03 0.01 -0.02 -0.01 -0.02 -0.01 0.01 -0.00 0.01 -0.01 0.01 0.02 -0.01 0.00 0.00 0.00 0.02 0.06 0.10 0.38 0.01 0.16 -0.27 0.31 -0.03 0.09 -0.05 -0.09 -0.20 -0.33 -0.08 0.01 0.00 -0.03 -0.00 -0.01 0.01 0.01 0.02 0.01 0.02 -0.01 0.01 0.00 -0.00 -0.01 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.05 -0.01 -0.05 0.01 -0.00 0.03 -0.02 0.04 -0.00 0.02 -0.02 -0.09 -0.00 -0.03 -0.03 0.00 -0.03 -0.04 0.05 0.04 -0.03 0.00 -0.03 0.08 -0.03 0.01 -0.03 -0.02 0.02 0.03 0.01 -0.00 -0.00 -0.00 0.01 -0.02 0.03 0.06 0.20 0.04 0.01 -0.02 -0.04 0.02 -0.06 -0.01 -0.09 0.00 -0.04 0.02 0.00 0.00 -0.03 0.00 -0.02 -0.03 -0.02 0.04 0.04 0.03 -0.02 0.00 -0.00 0.02 -0.02 0.03 0.01 0.02 -0.02 0.01 0.01 -0.02 0.02 -0.02 0.02 -0.03 0.01 0.00 0.17 0.24 0.14 0.10 -0.16 0.01 -0.18 0.24 0.10 0.13 -0.15 -0.30 -0.07 0.22 0.03 0.16 0.08 -0.05 0.08 -0.03 0.04 -0.10 -0.13 0.11 -0.05 0.03 0.02 -0.08 0.13 0.41 0.07 -0.25 -0.13 0.01 0.04 -0.10 -0.01 -0.24 0.00 0.09 0.02 0.05 0.01 -0.04 0.02 -0.01 0.02 -0.04 -0.01 0.03 -0.02 0.02 -0.02 0.02 -0.03 0.02 -0.01 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.19 0.02 -0.16 0.03 -0.01 0.04 -0.00 0.01 -0.00 0.01 -0.01 -0.06 -0.01 -0.01 0.02 -0.01 0.06 -0.01 -0.11 -0.05 0.06 -0.04 0.02 -0.06 0.07 -0.03 0.04 0.01 -0.02 -0.00 0.01 -0.01 0.06 0.02 -0.02 0.00 -0.18 -0.00 0.16 0.01 0.01 -0.03 -0.03 0.02 -0.04 -0.01 -0.02 0.00 0.00 -0.03 0.02 0.00 -0.01 0.00 0.01 -0.00 0.00 0.01 0.03 0.01 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.01 0.00 -0.00 -0.00 -0.02 -0.06 -0.05 -0.26 0.25 -0.02 0.13 -0.10 0.04 -0.06 0.17 0.27 0.13 -0.24 -0.13 -0.29 -0.14 0.11 -0.06 0.11 -0.12 0.17 0.25 -0.18 0.04 -0.03 0.01 -0.22 0.08 0.33 0.03 -0.04 -0.08 0.03 -0.03 -0.09 0.00 -0.02 0.02 -0.04 0.05 -0.01 -0.01 -0.01 0.01 -0.01 0.01 -0.01 -0.01 0.01 -0.01 -0.01 -0.01 0.01 0.00 0.01 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.02 -0.01 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 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 0.02 -0.00 0.01 -0.00 0.00 0.01 -0.01 0.00 -0.01 0.01 -0.00 -0.01 -0.01 -0.00 -0.01 0.00 -0.00 -0.06 -0.04 0.05 -0.06 0.04 -0.04 0.02 0.12 -0.12 0.02 -0.12 0.12 0.15 -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 -0.02 -0.01 0.06 0.01 0.02 0.00 0.01 -0.01 0.05 -0.00 -0.01 -0.01 -0.00 -0.35 -0.08 0.26 -0.41 0.22 -0.15 -0.31 0.24 -0.26 -0.28 -0.22 0.30 0.17 -0.00 -0.01 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.04 -0.01 0.04 -0.02 -0.00 -0.01 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.01 -0.01 -0.03 -0.02 -0.04 -0.08 0.06 -0.02 0.04 -0.07 0.01 -0.01 0.04 -0.05 0.03 -0.03 0.01 0.03 0.01 0.01 -0.03 0.00 0.01 -0.02 0.03 0.00 -0.02 0.00 0.00 0.00 0.01 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.01 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.35 0.46 0.28 0.13 0.44 0.00 0.02 0.11 0.19 0.04 0.14 0.15 0.15 -0.14 -0.18 -0.25 -0.12 0.12 -0.01 0.12 -0.11 0.07 0.17 -0.10 -0.03 0.05 0.04 0.02 -0.01 -0.03 0.00 -0.01 0.00 0.00 0.01 0.01 -0.00 -0.01 -0.00 0.02 -0.01 0.01 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.01 -0.01 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.01 0.00 -0.00 0.01 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.01 -0.01 -0.00 0.01 0.00 -0.01 0.01 0.00 -0.01 -0.00 -0.00 0.01 -0.00 0.00 -0.00 -0.03 0.03 -0.10 0.03 -0.02 0.10 0.02 -0.04 0.05 0.04 -0.05 -0.06 0.03 -0.03 0.01 -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 -0.01 0.00 -0.00 -0.00 -0.06 -0.01 0.02 0.04 0.02 -0.00 -0.03 -0.01 0.06 -0.03 0.03 -0.44 -0.04 0.18 0.51 -0.18 0.09 0.22 -0.05 -0.01 -0.29 -0.02 0.10 0.01 -0.36 0.38 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.02 -0.00 -0.01 0.01 -0.00 0.00 -0.01 -0.01 -0.00 -0.00 0.00 0.00 -0.00 -0.01 -0.00 -0.01 -0.05 0.04 -0.03 -0.01 -0.05 0.02 0.02 -0.01 -0.01 0.03 0.02 0.01 -0.00 -0.02 0.00 -0.00 0.01 -0.01 0.00 0.01 -0.04 -0.01 -0.01 0.03 0.02 0.02 0.00 -0.00 0.00 -0.07 -0.01 -0.03 0.03 0.10 0.03 0.01 0.01 0.01 -0.10 -0.01 -0.05 0.06 -0.08 0.02 -0.01 0.00 0.00 0.01 -0.00 -0.00 -0.01 -0.00 0.00 -0.00 -0.00 0.00 0.01 -0.00 0.00 -0.00 0.00 -0.00 0.14 0.08 0.17 -0.08 0.13 -0.09 0.04 -0.10 -0.10 -0.07 0.00 0.06 -0.06 0.01 0.09 0.06 0.01 -0.09 -0.10 -0.09 0.06 0.07 -0.02 -0.06 -0.00 0.04 -0.01 -0.06 -0.05 -0.06 -0.06 -0.07 -0.05 0.30 0.33 0.20 -0.11 0.02 -0.05 0.57 -0.33 0.23 0.05 0.01 -0.03 -0.03 0.01 -0.00 -0.00 0.00 0.00 0.04 0.00 -0.01 -0.00 0.03 -0.03 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.02 -0.00 0.01 -0.02 0.00 -0.01 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.02 0.02 0.00 0.10 -0.08 0.04 0.01 0.11 -0.04 -0.05 0.01 0.02 -0.06 -0.05 -0.02 -0.00 0.03 0.00 0.01 -0.02 0.03 -0.01 -0.02 -0.03 -0.00 -0.01 0.01 0.00 0.01 0.01 -0.00 0.00 -0.03 -0.01 -0.02 0.02 0.05 0.02 0.01 0.00 0.00 -0.05 -0.00 -0.02 0.03 -0.04 0.01 -0.01 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.29 -0.19 -0.35 0.15 -0.28 0.19 -0.06 0.18 0.19 0.15 -0.00 -0.11 0.12 -0.04 -0.19 -0.12 -0.01 0.20 0.23 0.20 -0.13 -0.16 0.04 0.14 0.02 -0.09 0.02 -0.01 -0.02 -0.05 -0.03 -0.02 -0.02 0.15 0.16 0.10 -0.05 0.02 -0.02 0.28 -0.16 0.11 0.03 0.01 -0.02 -0.02 0.01 -0.00 -0.00 0.00 -0.00 0.02 0.00 -0.01 -0.00 0.02 -0.01 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.02 -0.01 0.02 0.01 -0.00 0.02 0.00 -0.00 0.00 0.00 -0.00 -0.01 0.12 -0.05 0.14 -0.11 0.03 0.02 -0.06 0.02 -0.02 -0.08 0.02 -0.07 -0.07 0.03 -0.09 0.07 -0.02 -0.05 0.07 0.00 -0.05 0.01 -0.02 0.02 0.00 0.00 0.01 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.04 0.17 0.15 0.07 -0.06 0.03 0.18 -0.07 0.16 -0.00 0.23 0.30 0.20 -0.32 -0.20 0.32 0.21 -0.02 0.24 -0.05 0.11 -0.23 -0.28 0.25 0.12 -0.08 -0.05 -0.07 -0.01 0.06 0.01 -0.02 -0.00 -0.01 -0.00 -0.01 0.00 -0.02 -0.00 -0.01 0.01 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.01 -0.01 0.00 0.03 0.01 -0.04 -0.01 0.01 -0.03 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.14 -0.06 -0.01 0.20 -0.11 -0.09 0.05 0.03 0.01 -0.08 0.07 -0.02 -0.08 0.04 0.01 -0.16 0.05 0.14 -0.09 -0.03 0.08 -0.02 0.06 -0.06 -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 0.01 -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 0.15 -0.26 -0.18 -0.24 -0.17 -0.05 0.12 -0.03 0.14 -0.04 0.24 0.30 0.11 -0.21 -0.09 0.22 0.09 -0.13 -0.05 -0.19 0.18 -0.06 -0.24 0.08 -0.28 0.18 0.13 0.09 0.03 -0.06 -0.01 0.05 0.01 0.02 0.01 0.01 -0.01 0.05 0.00 0.01 -0.01 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.01 -0.00 -0.00 0.00 -0.00 0.00 -0.02 0.06 -0.02 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 0.01 -0.00 -0.01 0.00 0.00 -0.00 0.00 -0.00 0.00 0.03 0.07 0.03 -0.07 -0.13 -0.05 -0.01 0.01 -0.01 -0.01 0.01 -0.01 0.04 -0.04 0.01 0.09 -0.10 0.03 -0.01 0.04 0.00 -0.00 -0.05 -0.01 -0.09 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.02 0.01 -0.02 0.02 -0.02 0.01 -0.01 -0.00 0.00 -0.00 0.02 0.02 0.01 0.01 -0.00 -0.00 0.00 -0.00 0.00 -0.01 -0.01 -0.00 0.01 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.01 -0.00 -0.01 0.10 0.22 0.18 -0.12 0.69 0.08 0.27 0.14 0.15 -0.06 0.38 0.03 -0.11 -0.00 -0.06 0.10 0.03 -0.07 0.15 -0.08 0.06 0.05 0.00 -0.01 0.04 -0.02 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 0.01 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 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 -0.02 0.00 0.00 -0.01 0.01 -0.01 -0.02 0.01 -0.01 0.04 0.02 -0.03 0.00 -0.04 0.05 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.01 0.01 0.01 -0.00 0.03 0.00 0.03 0.02 0.02 0.00 -0.02 -0.00 -0.02 0.01 -0.01 -0.02 0.00 0.00 -0.29 0.15 -0.11 -0.23 0.11 -0.07 0.51 0.16 -0.29 0.01 -0.44 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 0.01 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.01 0.01 0.01 -0.01 -0.01 -0.01 -0.00 0.00 -0.00 0.02 -0.03 0.00 -0.04 -0.03 -0.03 -0.01 -0.00 -0.00 0.01 0.07 0.02 0.03 -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 0.01 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 0.02 0.02 0.04 -0.16 -0.02 -0.37 -0.30 -0.23 -0.07 0.68 0.07 0.39 -0.18 0.16 0.03 0.01 -0.02 0.01 -0.01 0.01 -0.05 0.02 -0.02 0.02 0.00 -0.01 0.00 -0.03 0.04 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.02 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 0.00 -0.01 -0.02 -0.01 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.01 0.01 0.00 0.00 -0.00 0.00 0.03 -0.00 -0.00 -0.05 -0.01 0.02 -0.03 0.01 -0.01 0.05 -0.03 0.03 0.02 0.02 -0.03 0.01 0.01 -0.02 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.02 0.03 0.03 -0.01 0.05 0.01 0.01 0.00 0.01 -0.00 0.07 0.01 0.04 -0.02 0.02 -0.48 -0.12 0.28 -0.34 0.17 -0.11 0.54 -0.27 0.18 0.19 0.07 -0.12 0.00 0.15 -0.16 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.01 0.01 -0.01 0.00 0.00 -0.00 -0.11 -0.03 0.02 0.00 -0.00 -0.00 0.01 0.00 -0.01 -0.01 0.00 0.01 0.01 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.01 -0.00 -0.01 -0.01 -0.00 0.01 -0.00 -0.00 0.00 0.02 0.04 0.01 -0.10 -0.16 -0.06 -0.01 0.01 -0.01 -0.00 -0.02 -0.00 0.02 -0.01 0.00 -0.08 0.12 -0.03 0.09 -0.01 0.04 -0.02 0.01 -0.01 0.27 -0.03 -0.02 0.06 0.00 -0.02 0.05 -0.01 0.00 -0.07 -0.03 0.05 -0.07 0.04 -0.03 0.01 -0.00 0.00 -0.04 0.03 0.00 0.01 0.02 -0.01 -0.01 0.01 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 -0.01 -0.01 0.01 0.00 0.00 -0.01 0.23 0.35 0.26 -0.01 0.03 -0.01 0.29 0.19 0.17 0.09 0.04 0.05 0.23 -0.10 0.09 -0.08 -0.04 0.07 -0.14 0.09 -0.08 -0.37 0.11 -0.04 -0.35 -0.03 0.12 0.01 -0.01 0.01 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.04 -0.02 0.05 0.01 -0.01 0.04 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.16 -0.05 0.12 0.08 -0.00 -0.09 -0.12 0.02 0.01 0.05 0.03 -0.04 0.07 0.03 -0.03 -0.10 0.02 0.09 0.14 0.04 -0.15 0.02 0.01 -0.04 0.02 0.01 -0.00 -0.01 -0.02 -0.01 -0.00 0.01 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.01 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 0.55 -0.36 0.03 0.10 -0.25 0.11 0.09 -0.23 -0.23 -0.13 -0.06 -0.00 -0.02 -0.09 0.10 0.02 0.02 -0.01 0.06 0.08 -0.07 0.08 0.11 -0.07 0.05 -0.15 0.13 -0.22 -0.02 0.18 -0.00 0.02 0.00 0.02 0.02 0.01 0.01 -0.00 0.00 0.02 -0.01 0.01 -0.01 -0.00 0.01 -0.01 0.00 -0.00 -0.02 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 -0.01 0.01 0.01 -0.00 0.00 0.01 0.19 -0.11 0.01 0.00 -0.00 0.00 0.03 -0.00 -0.04 0.01 -0.00 0.01 -0.02 -0.00 0.02 -0.01 0.00 0.01 -0.01 0.00 0.01 0.01 0.00 -0.00 0.04 0.00 -0.04 -0.00 -0.00 0.00 0.01 -0.02 -0.03 -0.11 -0.09 -0.06 -0.01 0.02 -0.01 0.01 -0.00 0.00 0.01 -0.03 0.00 -0.11 0.19 -0.02 0.08 0.00 0.04 -0.02 0.03 -0.01 -0.20 0.03 0.01 -0.05 -0.01 0.02 -0.03 -0.00 0.00 0.05 0.02 -0.03 0.02 -0.03 0.03 0.00 0.01 -0.01 -0.09 0.01 -0.04 -0.14 0.01 -0.01 -0.02 0.03 0.03 0.01 0.01 0.01 -0.00 0.02 -0.01 -0.02 -0.02 -0.02 -0.05 -0.03 0.02 0.01 -0.02 -0.00 -0.04 0.04 -0.01 0.20 0.39 0.38 0.05 -0.36 -0.03 0.28 0.17 0.16 0.09 -0.03 0.04 0.12 -0.03 0.06 0.12 0.05 -0.08 0.06 -0.04 0.05 0.20 -0.05 0.01 0.23 0.02 -0.08 0.01 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.02 0.02 -0.07 0.02 0.00 -0.02 0.03 -0.02 0.00 -0.00 0.00 0.00 -0.11 0.01 0.16 -0.03 0.02 -0.02 0.09 0.00 -0.10 0.04 -0.01 -0.05 0.02 -0.01 -0.06 -0.02 -0.00 0.01 -0.17 -0.01 0.19 0.01 0.01 -0.02 -0.01 -0.02 0.01 -0.02 -0.01 -0.01 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.01 0.00 -0.01 0.03 -0.00 0.01 -0.00 0.00 -0.00 0.01 -0.00 -0.04 0.00 0.00 -0.01 -0.00 0.00 -0.01 0.00 -0.00 0.01 0.00 -0.01 0.00 -0.01 0.01 0.00 0.00 -0.00 0.33 -0.01 0.17 0.58 -0.02 0.04 0.07 -0.12 -0.10 -0.04 -0.05 -0.03 0.00 -0.08 0.03 0.09 0.08 0.08 0.21 0.13 -0.08 -0.04 0.07 0.00 0.17 -0.17 0.05 0.36 0.13 -0.13 0.01 -0.10 -0.01 0.05 0.03 0.03 0.01 0.01 0.01 0.00 0.00 0.00 0.03 0.01 -0.02 0.01 -0.01 0.01 0.04 -0.01 0.00 0.05 0.00 -0.01 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.01 0.02 0.01 -0.00 0.00 0.00 -0.05 0.03 -0.01 -0.00 -0.00 0.01 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.01 -0.00 0.01 -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 -0.02 -0.12 -0.08 -0.10 0.14 -0.01 -0.01 0.03 -0.00 0.02 -0.06 -0.00 0.05 0.02 0.03 0.17 -0.01 0.07 -0.03 -0.08 -0.03 -0.02 -0.01 -0.01 0.02 -0.04 0.04 0.02 0.01 -0.02 -0.01 0.02 -0.01 -0.02 0.01 -0.01 0.03 0.01 -0.02 -0.00 -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 0.00 -0.00 -0.00 -0.01 -0.01 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.24 0.36 0.37 0.09 -0.53 -0.05 0.07 0.04 0.06 -0.10 0.36 0.00 -0.25 0.09 -0.12 0.03 0.01 -0.03 -0.05 0.04 -0.03 0.08 -0.03 0.02 -0.09 -0.02 0.04 -0.00 0.02 -0.02 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.01 0.00 -0.01 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.03 0.22 0.07 -0.01 -0.06 0.04 0.02 -0.02 -0.06 -0.01 -0.07 -0.00 -0.01 -0.07 -0.03 -0.01 0.00 0.00 0.02 -0.00 -0.00 0.00 -0.01 0.01 0.00 -0.00 -0.01 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.37 -0.28 0.17 -0.59 -0.07 -0.25 -0.03 0.01 0.02 0.20 -0.02 -0.16 0.10 0.05 -0.20 -0.05 0.03 0.22 0.08 0.08 -0.08 -0.18 0.11 0.13 -0.07 0.08 -0.00 -0.05 -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 -0.06 0.00 0.07 0.04 -0.01 -0.05 -0.00 0.00 0.00 0.01 0.00 -0.02 0.01 -0.01 -0.01 0.03 -0.02 -0.03 0.00 0.01 0.00 -0.00 -0.05 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 -0.14 0.26 -0.05 0.00 -0.15 0.02 0.04 -0.07 -0.06 -0.03 -0.03 -0.02 0.02 -0.06 0.01 0.09 0.01 -0.04 0.08 0.11 -0.06 0.03 0.06 -0.06 -0.57 0.68 -0.15 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 -0.01 0.00 -0.00 0.00 0.03 -0.00 -0.01 0.00 0.00 -0.01 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.01 0.00 -0.01 0.00 0.00 -0.00 0.01 0.07 0.08 -0.01 -0.05 -0.03 0.01 -0.02 0.00 -0.02 -0.01 -0.01 -0.01 0.00 -0.00 -0.00 0.06 0.01 0.02 -0.01 0.01 -0.01 0.00 -0.01 -0.02 -0.17 0.17 0.05 0.04 -0.05 -0.05 0.05 -0.04 -0.11 0.07 -0.06 0.11 0.05 -0.08 0.00 -0.06 0.07 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 0.01 -0.01 0.00 -0.03 -0.27 -0.38 -0.01 -0.03 -0.02 0.03 0.02 0.00 0.01 0.05 0.01 -0.03 0.01 -0.01 0.28 0.10 -0.20 -0.30 0.17 -0.13 0.39 -0.16 0.10 -0.37 -0.09 0.18 -0.00 -0.02 0.02 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.02 -0.01 0.01 0.00 0.00 -0.01 0.01 0.01 -0.00 0.00 -0.00 0.02 0.00 0.00 -0.00 -0.00 0.00 0.00 0.01 -0.00 -0.01 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.04 -0.01 0.04 -0.00 -0.00 0.00 0.03 -0.04 -0.13 0.05 0.00 0.05 -0.02 0.03 -0.01 0.01 0.00 0.00 0.01 0.01 0.00 -0.05 -0.04 -0.03 -0.01 0.03 0.00 -0.01 0.01 -0.00 -0.01 -0.05 0.04 0.02 0.01 -0.02 -0.02 0.01 -0.01 -0.04 0.02 -0.02 0.04 0.01 -0.02 -0.00 -0.02 0.02 -0.01 -0.00 -0.00 0.13 0.02 0.02 0.00 0.01 0.02 0.00 0.01 0.01 -0.01 0.01 0.01 0.01 0.00 0.00 0.01 0.01 0.00 -0.00 -0.00 -0.00 -0.01 0.01 -0.01 -0.37 0.24 0.67 -0.04 0.30 0.05 -0.16 -0.13 -0.08 0.04 -0.27 -0.02 0.18 -0.08 0.08 0.06 0.02 -0.04 -0.06 0.03 -0.02 0.10 -0.04 0.03 -0.10 -0.02 0.05 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.01 -0.00 0.00 0.00 0.00 -0.00 -0.01 0.01 -0.01 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -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 0.01 -0.01 0.01 -0.00 0.00 -0.00 0.00 -0.00 -0.01 0.01 -0.00 -0.01 -0.01 -0.01 0.01 -0.00 0.01 -0.01 0.01 -0.00 0.02 -0.01 0.01 0.00 -0.00 0.00 -0.13 -0.02 0.06 0.14 -0.06 0.03 0.06 -0.02 0.01 -0.06 -0.00 0.02 -0.01 0.10 -0.10 0.00 -0.00 -0.00 0.03 0.01 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.01 -0.00 -0.13 -0.03 0.07 0.00 -0.06 -0.01 0.03 0.03 0.02 -0.01 0.05 0.00 -0.07 0.03 -0.03 0.46 0.15 -0.28 -0.44 0.23 -0.17 0.23 -0.10 0.06 -0.27 -0.06 0.13 0.00 -0.25 0.28 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.02 0.01 -0.00 -0.00 -0.00 0.00 0.02 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 0.01 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 -0.03 -0.02 0.03 -0.05 0.04 -0.02 0.01 -0.00 0.00 0.03 -0.14 -0.01 0.11 0.09 0.07 0.03 0.03 0.02 0.02 -0.08 -0.00 -0.14 0.08 -0.05 -0.01 0.01 -0.00 -0.03 -0.01 0.01 0.02 -0.01 0.01 0.02 -0.00 0.00 -0.01 -0.00 0.01 0.00 0.02 -0.02 -0.00 0.01 0.00 -0.08 -0.01 -0.01 -0.00 -0.01 -0.01 -0.01 -0.01 -0.01 0.01 -0.01 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.01 -0.01 0.00 0.34 0.08 -0.18 -0.08 0.52 0.06 -0.33 -0.27 -0.20 0.04 -0.23 -0.02 0.35 -0.15 0.14 0.08 0.02 -0.05 -0.05 0.03 -0.02 0.05 -0.02 0.01 -0.02 -0.01 0.01 0.00 -0.04 0.04 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.03 0.02 -0.00 -0.01 0.00 0.01 -0.00 0.02 -0.00 -0.00 -0.00 -0.01 -0.02 -0.02 0.01 0.00 -0.00 -0.00 0.00 0.00 0.02 0.00 0.01 0.00 0.01 0.01 -0.00 -0.00 0.00 0.00 0.06 0.01 -0.04 -0.00 0.01 -0.01 -0.08 -0.08 0.02 0.07 0.02 0.04 0.01 0.00 0.00 0.01 0.07 0.02 -0.04 -0.05 -0.02 -0.07 -0.10 -0.05 -0.02 0.09 0.00 0.06 -0.02 0.02 0.00 -0.02 0.02 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.02 0.01 -0.01 0.02 0.01 -0.01 -0.00 -0.00 0.00 -0.03 0.07 0.00 -0.21 -0.04 -0.04 0.00 -0.03 -0.03 -0.02 -0.02 -0.02 0.02 -0.03 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.01 -0.00 0.04 -0.04 0.01 0.78 0.42 -0.09 0.02 0.04 0.02 0.01 -0.02 -0.01 0.02 -0.19 -0.01 0.08 -0.03 0.04 0.07 0.02 -0.04 -0.07 0.04 -0.03 0.07 -0.03 0.02 -0.09 -0.02 0.04 -0.00 -0.03 0.04 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.01 0.00 -0.01 0.02 -0.00 0.03 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.07 0.05 -0.07 -0.02 0.02 0.00 -0.11 -0.01 -0.03 -0.02 -0.03 0.01 -0.01 -0.00 0.02 0.00 0.01 -0.00 -0.00 0.01 -0.01 0.01 -0.04 0.04 -0.02 -0.01 0.01 0.01 0.01 0.00 0.00 -0.00 0.00 0.00 0.01 0.00 -0.00 -0.00 -0.00 -0.01 -0.01 -0.01 -0.00 0.01 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.30 -0.48 -0.00 0.59 0.14 0.16 -0.03 0.08 0.08 0.11 0.09 0.07 -0.04 0.15 -0.04 -0.10 -0.06 -0.01 -0.07 -0.05 0.02 -0.02 -0.07 0.05 -0.23 0.25 -0.05 0.17 0.06 -0.06 0.00 0.01 0.00 -0.00 -0.01 -0.00 0.00 -0.02 -0.00 0.02 -0.01 0.01 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.01 -0.00 0.00 -0.01 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.01 0.00 -0.01 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.04 -0.00 0.04 0.01 -0.00 -0.01 0.02 0.00 -0.00 0.05 -0.07 -0.09 0.07 0.04 -0.05 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.01 0.08 0.01 -0.10 -0.06 -0.03 -0.03 0.34 0.20 -0.05 0.16 0.44 -0.33 0.27 0.20 -0.33 -0.08 0.06 -0.20 -0.21 0.02 -0.15 -0.19 0.29 -0.02 0.04 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -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 0.02 -0.00 0.02 -0.02 0.01 -0.02 0.00 -0.00 0.02 -0.06 -0.05 -0.07 -0.06 0.04 -0.01 0.00 0.01 0.01 0.00 -0.02 -0.00 0.01 -0.01 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.06 0.03 -0.02 0.01 -0.02 0.01 -0.04 0.24 0.15 0.03 0.16 0.34 -0.24 0.27 0.10 0.45 0.15 -0.00 0.24 0.25 -0.05 0.14 0.33 -0.35 0.05 -0.08 0.02 0.02 0.00 -0.01 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.02 0.00 -0.02 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.01 -0.10 -0.03 -0.11 0.13 -0.02 0.13 0.02 0.04 0.02 0.01 -0.01 -0.04 0.02 0.02 -0.00 0.01 -0.02 -0.00 -0.01 0.01 0.03 -0.06 0.05 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.46 -0.45 0.08 -0.39 0.03 -0.12 -0.03 0.15 0.07 -0.16 -0.06 0.06 -0.07 -0.06 0.14 0.03 -0.05 -0.18 0.23 0.14 0.05 0.19 -0.20 -0.19 -0.10 0.14 -0.05 -0.02 -0.00 0.01 -0.00 0.00 -0.00 -0.01 -0.00 -0.00 -0.00 0.00 -0.00 -0.01 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -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 -0.03 -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 0.01 0.00 -0.00 -0.00 0.00 -0.00 -0.03 0.01 -0.01 0.14 -0.15 0.05 -0.00 0.00 -0.00 -0.10 -0.02 -0.06 0.02 0.10 0.03 0.05 0.17 0.05 -0.08 -0.00 -0.04 0.08 -0.09 0.03 -0.00 -0.04 0.04 -0.03 0.02 -0.02 0.05 0.01 -0.02 0.06 -0.01 -0.00 -0.06 0.01 0.00 -0.00 -0.04 0.04 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.01 -0.01 -0.02 0.01 0.01 0.02 0.01 0.03 -0.02 -0.00 -0.00 0.00 0.01 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.21 0.26 0.12 -0.14 0.07 -0.05 -0.41 -0.24 -0.23 -0.10 0.02 -0.05 -0.43 0.14 -0.18 0.00 0.04 -0.04 -0.06 0.07 -0.06 -0.16 0.10 -0.08 0.11 0.07 -0.10 -0.01 0.19 -0.21 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.01 0.02 0.01 0.02 -0.02 -0.00 -0.01 -0.00 -0.00 0.01 -0.02 0.02 -0.02 0.03 -0.02 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.01 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.05 0.06 -0.01 0.02 -0.01 0.01 -0.28 0.02 -0.31 -0.09 0.03 0.19 0.17 0.19 -0.29 -0.28 0.01 0.22 0.42 -0.14 0.30 0.26 -0.28 -0.25 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 0.01 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.02 -0.01 0.01 0.00 -0.00 -0.00 0.01 0.00 0.00 -0.04 -0.02 0.01 -0.00 0.02 0.03 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.01 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.02 0.05 0.01 -0.04 -0.02 -0.01 0.22 -0.38 -0.02 0.50 0.27 -0.01 -0.12 0.35 -0.07 -0.11 -0.18 -0.33 0.10 0.26 -0.12 0.09 -0.29 0.02 0.03 -0.04 0.01 -0.01 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.01 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.01 0.01 0.00 -0.00 -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 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -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 0.05 -0.05 0.02 -0.00 0.00 -0.00 -0.03 -0.02 -0.02 0.00 0.05 0.01 0.01 0.07 0.01 -0.03 -0.03 -0.02 0.05 -0.03 0.02 -0.00 0.10 -0.10 0.10 -0.04 0.02 -0.09 -0.02 0.04 -0.13 -0.00 0.03 0.13 -0.03 0.00 -0.00 0.09 -0.10 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.01 0.01 -0.01 -0.02 -0.01 0.01 0.01 -0.00 -0.01 0.01 0.01 0.01 -0.01 -0.01 -0.00 -0.01 0.02 0.00 -0.00 0.00 -0.00 0.07 0.09 0.04 -0.05 0.07 -0.02 -0.13 -0.06 -0.07 -0.05 0.10 -0.01 -0.20 0.09 -0.08 -0.13 -0.11 0.16 0.12 -0.14 0.13 0.26 -0.20 0.17 -0.24 -0.15 0.22 0.01 -0.42 0.46 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.01 0.03 -0.02 0.01 -0.02 0.00 -0.01 -0.00 -0.00 -0.02 0.01 -0.03 -0.02 0.01 -0.02 -0.00 0.00 -0.00 0.00 0.00 -0.01 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.03 0.03 -0.00 0.02 -0.00 0.01 0.37 -0.04 0.40 0.17 -0.03 -0.28 -0.22 -0.21 0.35 -0.18 0.06 0.28 0.28 -0.18 0.26 0.17 -0.09 -0.21 -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 -0.01 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 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 0.04 -0.01 0.04 0.01 0.02 -0.02 0.00 0.02 0.02 -0.00 -0.04 0.00 0.00 -0.01 -0.00 -0.00 0.00 0.01 -0.02 0.02 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.08 -0.06 0.01 -0.06 0.01 -0.01 0.07 -0.29 -0.14 0.30 0.20 0.05 -0.04 0.30 -0.11 0.15 0.25 0.41 -0.17 -0.39 0.17 -0.09 0.38 -0.02 -0.04 0.07 -0.01 -0.01 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.04 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.01 0.02 0.01 -0.05 -0.08 -0.04 0.00 -0.00 -0.00 -0.03 0.08 0.00 0.07 -0.02 0.03 0.10 -0.01 0.04 -0.02 0.14 0.01 -0.06 -0.05 -0.04 0.11 -0.00 -0.02 -0.05 -0.04 0.06 -0.07 0.06 -0.05 -0.07 0.05 -0.04 -0.06 -0.05 0.06 0.07 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 -0.02 -0.01 -0.01 0.03 -0.36 -0.05 -0.15 -0.21 -0.10 0.05 -0.43 -0.04 0.11 -0.15 0.02 0.29 0.05 -0.12 0.30 -0.12 0.07 0.32 -0.13 0.08 0.29 0.05 -0.12 0.08 -0.04 0.03 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.01 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.01 0.02 0.01 -0.07 -0.05 -0.04 0.00 -0.00 -0.00 -0.02 0.07 0.00 0.07 -0.02 0.03 0.09 -0.02 0.04 -0.03 0.14 0.01 -0.05 -0.05 -0.03 -0.11 0.02 0.00 0.07 0.04 -0.06 0.05 -0.06 0.05 0.07 -0.07 0.06 0.08 0.04 -0.06 -0.08 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 -0.03 -0.03 -0.02 0.04 -0.32 -0.04 -0.13 -0.20 -0.09 0.05 -0.42 -0.04 0.10 -0.14 0.02 -0.34 -0.07 0.15 -0.26 0.09 -0.04 -0.32 0.11 -0.06 -0.32 -0.08 0.16 -0.09 -0.04 0.06 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.01 0.00 -0.01 -0.00 -0.01 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.01 0.00 0.00 0.00 -0.00 0.00 -0.02 0.01 -0.01 0.15 -0.13 0.06 -0.00 -0.00 -0.00 -0.08 0.16 -0.01 -0.08 0.04 -0.04 0.09 -0.05 0.03 0.08 -0.15 0.02 -0.17 0.12 -0.06 0.12 0.02 -0.04 -0.23 -0.03 0.08 -0.22 0.04 -0.00 0.22 -0.05 0.01 0.24 0.04 -0.10 -0.12 -0.02 0.04 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.06 0.10 0.06 -0.03 -0.25 -0.06 -0.01 0.12 0.01 0.04 0.19 0.05 0.22 -0.07 0.09 0.22 0.11 -0.17 0.15 -0.15 0.13 -0.20 0.15 -0.13 -0.25 -0.11 0.18 -0.14 0.05 -0.01 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.01 -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 -0.01 0.00 -0.00 0.00 0.00 -0.00 0.02 0.00 0.01 -0.15 0.01 -0.08 0.00 0.00 -0.00 0.07 -0.01 0.03 0.14 0.06 0.08 -0.12 -0.02 -0.07 -0.08 0.02 -0.04 0.16 -0.05 0.07 0.04 0.19 -0.21 -0.13 -0.11 0.15 0.02 -0.11 0.12 -0.02 0.11 -0.12 0.12 0.12 -0.16 -0.02 -0.20 0.23 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.06 -0.08 -0.04 0.08 -0.00 0.03 -0.14 -0.18 -0.10 -0.09 -0.04 -0.05 -0.19 0.12 -0.07 0.31 0.01 -0.07 -0.18 -0.02 0.06 0.18 0.03 -0.07 -0.27 0.01 0.05 -0.04 0.25 -0.27 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.01 0.00 -0.01 0.01 0.01 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.01 -0.00 0.01 0.00 -0.00 0.00 -0.01 0.02 -0.00 0.09 -0.18 0.02 0.00 0.00 -0.00 -0.06 0.27 0.01 0.01 0.13 0.02 0.05 -0.16 -0.00 0.05 -0.23 -0.01 -0.13 0.15 -0.04 -0.13 0.08 -0.06 0.15 -0.02 -0.01 0.21 -0.09 0.06 -0.19 0.08 -0.05 -0.14 0.02 0.01 0.08 -0.07 0.06 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.04 0.08 0.05 0.04 -0.41 -0.05 -0.14 0.02 -0.07 -0.01 0.25 0.03 0.22 -0.01 0.10 -0.09 -0.10 0.13 -0.24 0.13 -0.08 0.22 -0.11 0.07 0.06 0.09 -0.11 0.09 0.07 -0.10 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.02 0.03 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.02 0.02 0.01 -0.17 -0.10 -0.10 0.00 0.00 -0.00 0.07 0.18 0.07 0.22 0.19 0.14 -0.22 -0.17 -0.13 -0.08 -0.17 -0.07 0.17 0.04 0.09 0.04 -0.14 0.13 -0.02 0.06 -0.06 -0.10 0.09 -0.08 0.10 -0.08 0.07 0.01 -0.06 0.06 -0.03 0.11 -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 -0.06 -0.06 -0.02 0.14 -0.23 0.03 -0.30 -0.24 -0.18 -0.15 0.18 -0.04 -0.12 0.20 -0.02 -0.07 0.05 -0.05 0.18 -0.04 0.00 -0.17 0.04 -0.01 0.10 -0.04 0.02 -0.03 -0.12 0.14 0.00 0.01 -0.01 -0.01 0.01 0.00 -0.00 -0.00 -0.00 -0.03 0.00 -0.04 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.01 0.01 0.01 0.08 -0.09 0.01 -0.02 -0.02 -0.01 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.30 0.43 -0.22 0.06 -0.00 0.05 0.21 -0.36 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 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.22 0.23 -0.04 0.05 0.01 0.01 -0.00 -0.00 -0.01 -0.00 0.01 0.01 0.01 -0.01 -0.01 0.01 -0.01 -0.02 -0.00 0.02 -0.01 -0.00 -0.01 0.01 0.43 -0.34 -0.12 -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 -0.05 -0.00 -0.01 -0.32 0.04 -0.36 0.00 -0.00 0.00 0.00 -0.00 -0.01 -0.02 0.01 -0.03 -0.01 -0.01 -0.01 -0.11 0.01 -0.02 0.01 0.00 0.01 0.00 -0.00 0.01 0.05 -0.07 0.04 0.57 -0.04 0.51 -0.03 0.06 -0.04 0.03 0.00 0.02 -0.02 0.01 -0.01 -0.01 0.00 0.00 0.01 -0.01 0.00 0.01 -0.01 0.00 -0.01 0.01 -0.00 -0.00 0.01 -0.00 0.01 -0.01 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.04 -0.04 0.01 0.30 0.00 0.14 -0.01 -0.02 -0.02 0.01 -0.00 -0.00 -0.02 0.04 0.01 -0.00 -0.00 0.02 0.00 -0.01 0.02 0.04 0.04 -0.06 -0.07 0.05 0.02 -0.05 -0.05 0.04 0.00 0.02 0.00 0.01 -0.01 0.01 -0.00 -0.02 -0.00 -0.01 0.00 -0.01 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.01 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.09 -0.08 -0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.01 -0.01 -0.10 -0.01 -0.01 -0.00 -0.13 0.11 0.78 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.03 -0.04 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.01 -0.04 -0.02 0.02 0.02 -0.01 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.18 -0.14 0.14 -0.24 0.42 -0.22 0.35 0.15 0.29 0.15 -0.34 0.15 -0.09 0.15 0.20 -0.33 -0.09 -0.27 0.00 0.00 -0.01 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 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 -0.03 -0.03 0.01 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.15 -0.12 0.12 -0.20 0.36 -0.19 0.30 0.12 0.24 -0.17 0.40 -0.17 0.11 -0.18 -0.24 0.39 0.10 0.31 -0.00 -0.00 0.01 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.06 -0.02 0.06 -0.02 0.01 -0.02 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.03 0.01 -0.00 -0.27 0.51 -0.26 -0.51 -0.24 -0.42 0.08 -0.19 0.08 -0.01 0.01 0.00 0.15 0.05 0.12 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 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 0.06 -0.04 0.05 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -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 0.16 -0.08 -0.16 -0.08 -0.13 -0.24 0.60 -0.25 0.02 -0.01 0.00 -0.49 -0.15 -0.39 -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 0.04 -0.06 0.04 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.48 0.72 -0.49 0.00 0.00 -0.00 0.01 -0.01 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.02 -0.07 -0.06 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.01 -0.00 -0.02 0.01 0.01 -0.01 -0.00 0.00 0.00 0.01 0.00 0.01 -0.10 0.24 -0.12 -0.31 0.50 0.69 0.23 0.05 0.17 0.02 0.01 -0.05 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.06 -0.06 0.04 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.02 -0.01 0.03 -0.00 0.00 0.00 0.63 0.46 -0.51 -0.12 0.18 -0.09 0.17 0.07 0.15 0.00 -0.00 -0.00 0.00 -0.01 -0.01 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.01 -0.01 0.01 0.01 0.02 -0.02 0.02 0.02 -0.02 0.03 -0.04 0.04 -0.03 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.07 0.09 -0.09 -0.17 -0.18 0.24 -0.19 -0.22 0.28 -0.38 0.46 -0.44 0.37 -0.03 -0.04 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.03 -0.02 0.05 0.02 -0.01 -0.06 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.01 0.00 -0.02 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.30 0.20 -0.56 -0.20 0.08 0.65 0.01 0.01 -0.01 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.01 0.02 0.02 0.00 0.00 0.00 -0.11 -0.06 0.23 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.01 -0.01 0.01 -0.01 -0.01 0.01 0.02 0.02 -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 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.01 -0.02 0.02 -0.01 -0.01 0.01 0.03 0.04 -0.05 -0.02 0.02 -0.02 -0.01 -0.00 0.00 0.01 0.01 -0.02 -0.01 0.00 0.03 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.01 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.15 0.19 -0.18 0.12 0.13 -0.17 -0.37 -0.42 0.55 0.22 -0.28 0.26 0.15 -0.01 -0.02 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.03 -0.04 0.01 -0.00 0.00 -0.00 -0.05 -0.00 -0.03 0.01 0.02 0.01 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.01 -0.00 0.02 0.00 0.01 -0.35 0.51 -0.11 0.63 0.06 0.32 -0.10 -0.28 -0.09 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.02 0.01 -0.04 0.02 -0.01 -0.06 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.02 -0.01 0.04 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.23 -0.15 0.43 -0.20 0.08 0.66 -0.01 -0.01 0.01 0.00 -0.00 0.00 -0.01 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.01 -0.01 -0.00 0.00 -0.00 0.20 0.11 -0.44 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.03 -0.05 0.01 0.00 -0.00 0.00 0.03 0.01 0.01 -0.02 -0.05 -0.02 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.01 -0.01 0.03 -0.00 0.00 0.01 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.02 -0.01 0.04 -0.00 0.01 -0.00 -0.03 -0.00 -0.02 -0.38 0.57 -0.12 -0.31 -0.04 -0.16 0.19 0.55 0.19 -0.00 0.00 -0.00 -0.01 -0.01 0.02 -0.00 -0.00 0.00 0.01 -0.01 0.01 -0.01 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.02 0.01 -0.04 0.01 -0.00 -0.02 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.03 0.02 -0.06 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.24 -0.15 0.44 -0.06 0.02 0.19 -0.01 -0.01 0.01 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.01 -0.00 -0.02 0.03 0.04 0.01 0.00 0.00 -0.34 -0.17 0.73 0.00 -0.00 0.00 0.01 0.00 0.00 0.02 -0.03 0.01 0.02 0.00 0.01 -0.01 -0.03 -0.01 0.00 -0.00 0.00 0.01 0.01 -0.02 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.02 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.01 -0.01 0.01 0.04 0.04 -0.05 0.00 0.01 -0.01 -0.02 0.01 -0.01 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 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.01 -0.01 0.02 0.00 -0.00 0.00 -0.01 -0.00 -0.00 0.01 -0.02 0.00 0.01 0.00 0.01 -0.01 -0.02 -0.01 -0.10 0.13 -0.12 -0.41 -0.44 0.58 -0.05 -0.06 0.07 0.14 -0.17 0.16 -0.40 0.04 0.04 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -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 0.04 -0.04 0.04 -0.01 -0.01 0.02 -0.01 -0.01 0.01 0.01 -0.02 0.01 0.03 -0.00 -0.01 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.10 -0.01 -0.05 -0.00 0.00 -0.00 -0.01 -0.00 -0.00 -0.00 -0.01 -0.00 -0.41 0.50 -0.48 0.14 0.14 -0.19 0.09 0.09 -0.12 -0.13 0.16 -0.15 -0.39 0.03 0.04 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.06 -0.01 -0.03 -0.01 0.02 -0.00 0.00 0.00 0.00 -0.03 -0.00 -0.02 -0.01 -0.04 -0.01 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.01 -0.00 -0.00 0.00 0.00 -0.01 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.65 0.06 0.33 0.12 -0.17 0.04 0.34 0.03 0.17 0.15 0.46 0.15 -0.03 0.04 -0.04 0.02 0.02 -0.02 -0.01 -0.01 0.01 -0.02 0.03 -0.02 -0.08 0.01 0.01 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.05 -0.01 -0.03 0.01 -0.02 0.00 -0.00 0.00 -0.00 0.04 0.00 0.02 0.01 0.04 0.01 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.01 -0.00 -0.00 0.00 0.00 -0.01 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.59 0.06 0.30 -0.14 0.21 -0.04 -0.41 -0.04 -0.21 -0.16 -0.46 -0.16 -0.01 0.02 -0.02 0.01 0.01 -0.02 -0.01 -0.01 0.02 -0.02 0.02 -0.02 -0.08 0.01 0.01 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.01 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.02 -0.02 0.02 0.01 0.01 -0.01 -0.02 -0.02 0.03 -0.01 0.02 -0.02 -0.06 0.01 0.01 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.08 0.01 0.04 -0.00 0.00 -0.00 -0.01 -0.00 -0.01 -0.00 -0.01 -0.00 -0.22 0.27 -0.25 -0.09 -0.10 0.13 0.19 0.22 -0.28 0.15 -0.19 0.18 0.70 -0.06 -0.07 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 0.99863 0.05222 -0.00115 -0.05223 0.99862 -0.00509 8.8E-4 0.00514 0.99999 asymmetric 1 0.00871 0.00670 0.00450 0.18153 0.13955 0.09382 939198.6 9.31 18.95 32.41 50.13 63.68 72.27 83.30 97.51 108.59 122.25 125.67 151.24 185.17 221.22 252.23 273.75 310.28 313.27 326.84 336.28 344.95 382.87 437.57 451.14 454.61 462.55 502.02 543.63 572.96 594.40 605.69 613.78 626.05 672.84 680.84 714.15 718.41 766.33 810.31 838.49 845.06 900.75 912.06 937.79 941.46 949.15 1010.83 1020.21 1039.51 1086.76 1100.76 1125.36 1157.71 1183.61 1204.87 1223.37 1234.95 1295.30 1303.87 1318.62 1328.83 1333.15 1376.81 1394.22 1415.25 1419.23 1431.81 1438.20 1441.91 1449.09 1458.80 1459.71 1466.29 1496.04 1500.12 1541.83 1583.63 1591.69 1594.29 1618.34 1659.92 1674.82 1692.89 1704.00 1708.99 1767.19 1785.81 1813.65 1819.82 1848.34 1883.60 1885.48 1903.26 1922.37 1937.13 1940.08 1954.12 1977.15 2031.83 2042.76 2080.57 2113.89 2118.84 2128.16 2131.43 2143.53 2155.21 2174.24 2181.44 2332.92 2338.59 2355.75 2358.85 2406.61 2433.31 3340.33 4352.88 4358.17 4433.07 4438.87 4441.20 4480.04 4504.67 4567.53 4575.28 4575.66 4577.12 4580.70 4593.13 4593.19 4594.12 4601.72 4607.45 4607.78 4610.62 0.357722 0.384267 0.385211 0.296145 -2050.602577 -2050.576032 -2050.575088 -2050.664154 241.131 99.391 187.455 0.000 0.000 0.000 0.889 2.981 43.961 0.889 2.981 36.157 239.354 93.429 107.338 1 0.593 1.987 8.875 2 0.593 1.987 7.464 3 0.593 1.985 6.398 4 0.594 1.983 5.533 5 0.595 1.980 5.059 6 0.595 1.978 4.808 7 0.596 1.974 4.528 8 0.598 1.970 4.217 9 0.599 1.965 4.005 10 0.601 1.960 3.773 11 0.601 1.958 3.719 12 0.605 1.945 3.357 13 0.611 1.925 2.965 14 0.619 1.898 2.625 15 0.627 1.873 2.378 16 0.634 1.853 2.225 17 0.645 1.817 1.995 18 0.646 1.814 1.978 19 0.651 1.800 1.901 20 0.654 1.789 1.850 21 0.657 1.780 1.805 22 0.672 1.735 1.621 23 0.695 1.666 1.394 24 0.701 1.648 1.343 25 0.703 1.643 1.331 26 0.707 1.632 1.303 27 0.726 1.577 1.171 28 0.748 1.517 1.048 29 0.765 1.474 0.969 30 0.777 1.442 0.916 31 0.783 1.425 0.889 32 0.788 1.412 0.870 33 0.796 1.394 0.842 34 0.825 1.322 0.744 35 0.830 1.309 0.729 36 0.852 1.258 0.667 37 0.855 1.252 0.660 38 0.888 1.178 0.581 39 0.919 1.111 0.517 40 0.940 1.069 0.480 41 0.944 1.059 0.472 0.210460e+29 28.323170 65.216508 0.355677e+13 12.551056 28.899874 0.100000e+01 0.000000 0.000000 0.332386e+09 8.521642 19.621807 0.178021e+08 7.250471 16.694827 ./ancestor::cml:module[@dictRef='cc:finalization']/cml:molecule[@id='mol9999'] 1.9749 2.6488 -4.1308 5.2896 -171.8072 -171.9499 -197.6334 9.2580 6.2554 -8.5549 8.6563 8.5136 -17.1699 9.2580 6.2554 -8.5549 -71.6247 54.9735 -49.1484 48.7853 2.0036 -87.8911 80.6082 -50.4388 8.8755 -1.3293 -7684.8295 -6163.7031 -1750.5406 27.3075 281.1078 3.2743 -200.0102 161.4281 -152.7014 -2278.7239 -1765.4744 -1399.3738 -40.7717 83.1322 172.0663 (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A) (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(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 -2050.9602989 6.975E-9 2.952E-5 0.3577219 0.3842673 -2050.5760317 -2050.5750875 -2050.6641535 1.5206527,8.7270808,-10.2477335,7.1974629,-6.9633204,6.2963311 C01 [X(C22H19Cl2N1O3)] -0.6471049 -1.0453343 -1.6791284 -0.2501721 -0.051707 -0.3269782 0.0000615 -0.12938 -0.209775 -0.1688366 -0.3166044 -0.8253507 -0.9879703 0.3739135 -0.0932429 0.2836354 -0.1663986 -0.0541816 -0.267819 0.0123283 -0.2210319 -1.3363655 -0.5818137 -0.5748925 -0.3897784 -0.7685854 -0.1591594 -0.7408005 -0.3990715 -1.6324883 -1.3564142 -0.2609096 0.7643545 -0.3317165 -0.6059033 0.2515057 0.3975917 0.0052465 -1.7171181 -2.9126643 0.5412134 0.4241741 0.3796323 -0.8309375 -0.226234 0.7275869 -0.3518928 -0.4954813 -0.4323539 0.0792916 -0.0600258 0.0161352 -0.4079755 0.0197918 -0.0734966 0.1684257 -0.5655119 0.5654884 0.0967589 -0.1502588 0.0123988 0.401204 0.0185134 -0.6540887 -0.0439469 0.588446 -0.1480818 0.1714308 0.0602892 0.6300852 -0.0728201 -0.3841383 0.0083709 -0.2736925 -0.0213949 -0.9816647 -0.3577408 0.3835861 -0.7894896 -0.2346313 0.3806779 0.2683822 0.2632574 -0.1837314 -0.0265313 -0.0771562 -0.0431472 -0.0221129 0.0105698 -0.0005311 0.0276827 -0.0767859 -0.0165225 -0.0165665 0.0332953 -0.0511153 -0.0227443 0.0539645 0.0169342 0.0141492 0.0815471 0.027829 0.1649264 -0.3111742 -0.2417465 -0.1597318 -0.1067641 0.0312263 0.0946782 -0.0580309 -0.3681075 2.4535445 0.8353321 -0.6070964 0.8140136 0.6477067 -0.1461338 0.3472653 0.4028017 2.6857132 1.1471063 -0.2974404 0.5656952 -0.3006251 0.1534198 0.3719651 0.5297367 0.3934631 1.1709352 1.0936385 0.3700275 0.4379835 0.2544673 0.9605972 -0.0304396 0.2124784 -0.0320533 0.6517227 0.1195955 0.0437576 -0.3044244 -0.0983347 0.0773959 -0.0299492 -0.2188707 -0.0308825 -0.0556754 0.1302524 -0.1656103 0.1223954 -0.0267832 0.0330482 -0.0012651 0.0570793 -0.118375 0.3530789 -0.2567896 -0.0242764 0.0449653 0.4388235 -0.343896 -0.1325374 0.0620943 0.0988966 -0.2014511 -0.1924437 -0.0255729 -0.0219563 -0.0946051 -0.2069592 0.0663056 0.0050277 0.0144015 -0.1687604 1.4821687 -0.7714382 -0.4321124 -1.1517894 0.8417772 0.2855168 -0.7370347 0.2600421 0.3218325 0.0220498 -0.0599844 -0.0999664 0.0402763 0.1265727 -0.0966557 -0.1232303 -0.0011252 -0.0972162 -0.3656173 0.2195248 -0.0054433 -0.0384067 -0.0206646 0.0240266 0.0459754 -0.10308 -0.1694736 2.264737 0.0082114 -0.1518577 0.5093877 0.0823038 0.0345382 -0.1523235 0.1287401 0.2833593 -0.4240003 0.0468114 0.0711029 -0.2500518 -0.1569092 0.0755441 -0.2087062 0.0166463 -0.1270855 -0.3930069 0.0119927 -0.0226972 0.1542411 -0.1291897 0.0738696 0.1908602 0.1000213 -0.1136633 0.1763782 -0.0090789 -0.0919656 0.0551555 -0.0354908 0.1566483 -0.0235203 0.1638952 -0.0014843 0.1332779 0.0584804 0.0517404 0.0417252 -0.0955005 0.147376 -0.0623315 0.1410524 0.0520943 -0.1035642 0.0801399 0.0047023 0.0809765 -0.2084505 -0.0283192 -0.0085739 -0.0201482 -0.2127277 0.0129827 0.047396 0.0143668 0.0075007 0.0807947 -0.0637723 -0.0170919 -0.0608205 0.00625 -0.0228813 -0.0543148 -0.0263758 0.0106911 0.1338166 0.0255374 0.0215225 0.0394678 -0.0315736 0.0172801 -0.0217849 -0.1003778 -0.0636297 0.0220882 -0.0824913 -0.1115062 -0.0574375 0.021961 -0.0368486 0.1815514 0.0608918 0.1447607 -0.0623153 -0.0645842 0.070785 -0.0675735 -0.0045361 0.000822 -0.0700463 0.095633 -0.0629837 -0.0368185 0.1242241 0.0735013 0.1602103 -0.0158953 0.00382 0.0913968 0.0794976 0.0714042 -0.0894864 -0.1218325 0.0517728 -0.1478356 0.0245465 0.005226 0.0268356 -0.1149354 0.0756013 -0.0022866 0.1011647 -0.1228661 0.0611732 -0.002701 -0.0369847 -0.1607179 0.075028 -0.1222536 -0.0187669 0.0510615 0.090483 0.0621309 -0.0332873 0.0678091 0.0478036 -0.0091686 0.0131087 0.171899 -0.0537522 -0.0723803 -0.0275235 0.0689857 0.0021495 0.0023443 -0.0919845 0.0078401 0.0550884 0.007983 0.0204512 0.0011293 0.0786606 0.0709965 -0.0184256 0.0838866 -0.0406825 0.1451136 0.031747 0.0891067 0.0197855 0.1566049 0.048033 0.0778898 0.0707832 0.1026786 0.0301297 -0.0292753 0.0790456 -0.0361492 0.1600149 0.0004393 -0.060647 0.109749 -0.053552 0.0829398 0.0495586 0.1213857 0.0422963 0.1178141 0.1498875 0.0126053 0.0302635 0.0116663 -0.0470929 0.0417207 0.0306848 0.0457734 0.1788711 0.0607211 0.022811 0.0818201 0.0343662 0.1542091 -0.0845614 0.1125734 -0.0835957 0.0791515 0.0866134 -0.0629019 -0.05801 -0.0649628 0.1218316 -0.1148771 -0.0539824 -0.1158421 0.0588086 0.0584906 -0.048214 -0.0538547 -0.0602833 0.0833512 -0.1332208 -0.0556343 -0.1220585 0.0383523 0.0259399 0.0543256 0.1002239 0.0449535 0.1269024 -0.0968892 0.1081854 -0.1014187 0.0241018 -0.0834527 -0.0441857 0.0005011 -0.0910699 0.1804989 -0.0428607 0.014637 -0.0367882 0.1331353 484.7168668|-19.9212289|400.8478863|-38.4834079|28.4870446|392.9794157 -0.000025728 0.000017991 0.000047257 -0.000024048 -0.000016441 0.000005822 0.000025162 -0.000030343 0.000086238 0.000027806 -0.000028042 -0.000116322 0.000029888 -0.000029602 0.000046648 -0.000000111 -0.000018399 0.000004179 0.000003923 -0.000012893 -0.000012032 -0.000026079 -0.000018962 -0.000056528 0.000033168 -0.000031020 0.000067175 0.000015634 0.000000952 -0.000033218 0.000006429 0.000025131 -0.000005785 0.000008717 0.000002219 -0.000010042 -0.000035893 0.000019603 0.000032613 0.000026600 0.000077546 -0.000034890 -0.000064774 -0.000067088 -0.000113818 0.000066444 0.000006254 0.000048903 -0.000000652 0.000038565 0.000091694 0.000031612 0.000000700 -0.000013251 -0.000003593 0.000005287 0.000023446 -0.000058413 0.000044840 0.000008062 -0.000013101 0.000025070 0.000003438 0.000031721 -0.000034211 -0.000041828 0.000001017 0.000020848 -0.000021616 -0.000021508 -0.000003977 -0.000056163 -0.000003772 0.000002812 0.000015977 -0.000017194 -0.000044443 -0.000002667 0.000023052 -0.000003007 0.000007761 0.000003995 0.000001516 0.000006868 0.000010776 -0.000026503 -0.000007053 -0.000024175 0.000009578 -0.000002033 0.000002435 0.000030409 0.000004193 -0.000000802 -0.000002591 0.000001877 -0.000006231 -0.000005123 0.000002893 -0.000007819 -0.000003090 0.000003988 -0.000005853 0.000001990 0.000001333 -0.000016017 0.000004507 0.000002968 -0.000017823 0.000019086 0.000007076 -0.000024958 0.000018403 -0.000002579 0.000004157 -0.000019883 -0.000007778 -0.000002664 -0.000015621 -0.000000637 0.000012332 -0.000007949 -0.000003300 0.000005823 -0.000003052 -0.000000547 0.000040274 0.000007702 0.000016152 0.000000506 0.000008691 -0.000002292 -0.000003955 0.000015326 0.000004199 -0.000001103 0.000003938 0.000000665 -0.000005203 0.000013275 0.000002956 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:-2.5409,-.4038,2.1413;-4.7401,-.3688,.2034;1.7672,-1.582,.0476;1.9925,-1.5719,-2.195;1.2835,3.5009,.4064;3.8345,-1.5885,2.6411;-.5886,-3.5011,-.5112;-1.0348,-2.1258,-.0636;-.0845,-2.2614,-1.2598;.3352,-4.2746,.4097;-1.5379,-4.3944,-1.2876;-2.3964,-1.6228,-.2974;1.3072,-1.7813,-1.2113;-3.1094,-.9007,.5641;3.1181,-1.0849,.1711;3.2053,.4021,-.1309;3.503,-1.3783,1.5562;2.1818,1.2457,.2984;4.2989,.9042,-.8348;2.251,2.5993,-.0154;4.3652,2.2693,-1.1114;3.3391,3.1216,-.7114;-.0673,3.1589,.3593;-.6074,2.3671,-.6539;-.878,3.7225,1.3414;-1.9829,2.1391,-.6712;-2.2527,3.496,1.3035;-2.8098,2.7046,.2993;-.5566,-1.778,.8427;-.5155,-2.1205,-2.243;.9649,-3.627,1.018;.9815,-4.9381,-.1732;-.266,-4.8951,1.0809;-.967,-5.15,-1.8348;-2.144,-3.8445,-2.0088;-2.2098,-4.9131,-.597;-2.8705,-1.8583,-1.2434;3.7833,-1.6456,-.4896;1.336,.8517,.8473;5.0823,.2355,-1.1713;5.2097,2.6693,-1.6599;3.3658,4.1808,-.9368;.0315,1.9357,-1.4139;-.4275,4.3321,2.1156;-2.406,1.5166,-1.4509;-2.8858,3.9343,2.0666;-3.8763,2.5196,.2801; Gaussian 16 12-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:-2.5409,-.4038,2.1413;-4.7401,-.3688,.2034;1.7672,-1.582,.0476;1.9925,-1.5719,-2.195;1.2835,3.5009,.4064;3.8345,-1.5885,2.6411;-.5886,-3.5011,-.5112;-1.0348,-2.1258,-.0636;-.0845,-2.2614,-1.2598;.3352,-4.2746,.4097;-1.5379,-4.3944,-1.2876;-2.3964,-1.6228,-.2974;1.3072,-1.7813,-1.2113;-3.1094,-.9007,.5641;3.1181,-1.0849,.1711;3.2053,.4021,-.1309;3.503,-1.3783,1.5562;2.1818,1.2457,.2984;4.2989,.9042,-.8348;2.251,2.5993,-.0154;4.3652,2.2693,-1.1114;3.3391,3.1216,-.7114;-.0673,3.1589,.3593;-.6074,2.3671,-.6539;-.878,3.7225,1.3414;-1.9829,2.1391,-.6712;-2.2527,3.496,1.3035;-2.8098,2.7046,.2993;-.5566,-1.778,.8427;-.5155,-2.1205,-2.243;.9649,-3.627,1.018;.9815,-4.9381,-.1732;-.266,-4.8951,1.0809;-.967,-5.15,-1.8348;-2.144,-3.8445,-2.0088;-2.2098,-4.9131,-.597;-2.8705,-1.8583,-1.2434;3.7833,-1.6456,-.4896;1.336,.8517,.8473;5.0823,.2355,-1.1713;5.2097,2.6693,-1.6599;3.3658,4.1808,-.9368;.0315,1.9357,-1.4139;-.4275,4.3321,2.1156;-2.406,1.5166,-1.4509;-2.8858,3.9343,2.0666;-3.8763,2.5196,.2801; 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 CONF15 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 2920.2834746833 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 -0.0593365309 PCM SMD-Coulomb. Total charges None On-the-fly selection Water 78.355300 1.777849 0.000000 2.931365 0.000000 4.932741 6.621262 0.000000 6.381235 7.247597 2.253943 0.000000 5.734353 7.162375 5.118469 5.744772 0.000000 6.503854 8.997463 3.316646 5.175083 6.115833 0.000000 4.521133 5.249437 3.089511 3.635891 7.305807 5.758432 0.000000 3.177328 4.109452 2.856416 3.743556 6.103657 5.595928 1.513581 0.000000 4.588328 5.234274 2.366397 2.379916 6.152382 5.570390 1.533472 1.533765 0.000000 5.123828 6.407487 3.071110 4.103198 7.833096 4.943685 1.516471 2.591943 2.648858 0.000000 5.356130 5.355561 4.540462 4.610200 8.553646 7.222952 1.517188 2.626363 2.581214 2.530537 0.000000 2.730228 2.704818 4.178102 4.781870 6.347385 6.889196 2.615710 1.470291 2.584407 3.872164 3.065798 0.000000 5.286343 6.369139 1.355059 1.217088 5.524414 4.611483 2.653652 2.630686 1.472947 3.128700 3.863710 3.817974 0.000000 1.748633 1.752690 4.951045 5.838935 6.220667 7.280541 3.777975 2.489819 3.785334 4.824173 4.254921 1.331179 4.840877 0.000000 6.030814 7.890842 1.444798 2.665061 4.944694 2.620689 4.477045 4.287800 3.699823 4.239856 5.895712 5.560502 2.382350 6.242693 0.000000 6.231519 7.989723 2.457041 3.102930 3.685656 3.470241 5.456573 4.936936 4.380871 5.513802 6.844180 5.958829 3.088339 6.485113 1.519848 0.000000 6.149854 8.414083 2.308694 4.048486 5.482141 1.153806 5.051883 4.875802 4.645401 4.442755 6.526430 6.188557 3.555660 6.703458 1.467193 2.470746 0.000000 5.331136 7.108292 2.868986 3.767195 2.429845 4.031472 5.555460 4.673784 4.456930 5.822060 6.939895 5.435367 3.493889 5.716168 2.514878 1.394134 3.195754 0.000000 7.573114 9.187086 3.656497 3.647019 4.168421 4.302502 6.587890 6.182577 5.423701 6.639335 7.896145 7.176528 4.037912 7.752345 2.522420 1.394135 3.400030 2.425541 0.000000 6.052461 7.598205 4.209690 4.713374 1.388076 5.205964 6.747160 5.755414 5.534400 7.148520 8.055149 6.285215 4.637972 6.428050 3.789391 2.398221 4.456234 1.391169 2.781845 0.000000 8.088302 9.570538 4.788100 4.643096 3.649298 5.407928 7.628809 7.040925 6.352120 7.834400 8.904074 7.844163 5.076349 8.290165 3.801358 2.406880 4.600455 2.793356 1.394370 2.404195 0.000000 7.425664 8.848293 5.017086 5.103210 2.370324 5.802591 7.702419 6.861851 6.402996 8.061272 8.978115 7.454951 5.330784 7.706404 4.303705 2.783949 5.041590 2.424451 2.419366 1.393242 1.392661 0.000000 4.688997 5.856934 5.093036 5.757378 1.394261 6.555043 6.736850 5.389105 5.657001 7.444536 7.869339 5.359141 5.363004 5.077045 5.309592 4.306979 5.896180 2.953339 5.057031 2.414159 4.754153 3.570881 0.000000 4.385155 5.029868 4.661200 4.964890 2.446440 6.799610 5.870017 4.551630 4.697241 6.792069 6.854581 4.387164 4.602828 4.292117 5.145503 4.321044 5.983912 3.153371 5.122964 2.938012 4.994578 4.018311 1.394683 0.000000 4.520112 5.740176 6.067055 6.983990 2.365491 7.218307 7.463005 6.016725 6.572927 8.142076 8.557484 5.793394 6.448515 5.192040 6.359975 5.464963 6.727309 4.072382 6.283236 3.590691 5.968206 4.728475 1.392585 2.427213 0.000000 3.832458 3.828431 5.331711 5.647790 3.699297 7.662173 5.812247 4.411085 4.828610 6.904911 6.577600 3.803012 5.146502 3.469210 6.092940 5.497870 6.886771 4.368358 6.404146 4.309003 6.364697 5.412002 2.402317 1.394374 2.788919 0.000000 3.999170 4.725919 6.597228 7.479608 3.648235 8.043361 7.417683 5.912431 6.664820 8.238824 8.335630 5.365234 6.844498 4.539999 7.149287 6.435780 7.546507 5.073287 7.362971 4.777730 7.150763 5.955453 2.404352 2.795127 1.393731 2.411038 0.000000 3.623161 3.630592 6.275993 6.897278 4.171442 8.249989 6.640929 5.159008 5.875378 7.655893 7.384563 4.387888 6.273394 3.627398 7.036844 6.455107 7.622385 5.200408 7.420381 5.071684 7.325369 6.245314 2.780508 2.423477 2.419476 1.394781 1.394648 0.000000 2.740867 4.460464 2.463883 3.970911 5.607393 4.748969 2.191603 1.082088 2.208442 2.686233 3.513746 2.169953 2.773533 2.713708 3.799388 4.455675 4.141149 4.115562 5.795240 5.270620 6.665103 6.449606 4.984538 4.407289 5.532387 4.435062 5.559135 5.046371 0.000000 5.125596 5.186583 3.278356 2.567771 6.469609 6.562047 2.215988 2.240413 1.082675 3.521432 2.669920 2.751543 2.121695 4.012034 4.483705 4.966826 5.579655 5.006565 5.857554 5.906971 6.661266 6.684548 5.902978 4.761601 6.864420 4.771673 6.865936 5.916889 3.104897 0.000000 4.893042 6.620121 2.401459 3.950019 7.161138 3.876210 2.183458 2.724341 2.855582 1.089001 3.488333 4.128608 2.914276 4.923326 3.437450 4.751126 3.433394 5.073643 5.922884 6.441131 7.131798 7.360078 6.895445 6.418448 7.583917 6.692590 7.821217 7.406360 2.400952 3.885190 0.000000 6.190695 7.331895 3.453892 4.054813 8.464263 5.223082 2.155083 3.462153 3.079243 1.094442 2.807988 4.734658 3.338990 5.794856 4.419450 5.784954 4.692685 6.316893 6.751030 7.645190 8.017278 8.414685 8.181988 7.491470 8.986547 7.689152 9.152872 8.544517 3.658454 3.803104 1.771514 0.000000 5.145060 6.424518 4.022193 5.184258 8.564373 5.493877 2.140538 3.093534 3.528215 1.094045 2.734619 4.140804 4.174268 4.930279 5.176712 6.448217 5.176807 6.656860 7.625040 7.981414 8.808140 8.970871 8.088676 7.474352 8.643229 7.449691 8.625956 8.052176 3.139685 4.336899 1.768408 1.769451 0.000000 6.388559 6.422643 4.873431 4.657483 9.215548 7.468197 2.148066 3.505418 3.074673 2.738630 1.093802 4.104662 4.112055 5.329337 6.102302 7.151140 6.760627 7.441209 8.086093 8.585922 9.165312 9.392793 8.640713 7.617860 9.424341 7.451063 9.287420 8.345432 4.325297 3.090050 3.767017 2.569538 3.009622 0.000000 5.405518 4.869725 4.964386 4.723390 8.457891 7.902796 2.186304 2.822807 2.703456 3.490025 1.090758 2.815798 4.099182 4.027180 6.329106 7.083496 7.118947 7.067258 8.089521 8.050607 8.975192 8.959572 7.679086 6.540774 8.371767 6.133495 8.053992 6.975841 3.862794 2.383074 4.344377 3.785984 3.765171 1.766290 0.000000 5.285980 5.262434 5.227643 5.601557 9.165430 7.620541 2.151589 3.071539 3.462353 2.810352 1.094319 3.309172 4.749171 4.272808 6.605498 7.602166 7.054575 7.617019 8.732818 8.756311 9.751044 9.765223 8.406044 7.454712 8.950109 7.056284 8.621290 7.693698 3.825512 3.657686 3.786942 3.219417 2.567854 1.770029 1.771842 0.000000 3.698680 2.794143 4.821941 4.963508 6.978427 7.753664 2.905461 2.198450 2.815041 4.341330 2.865161 1.083993 4.178483 2.059388 6.201804 6.577438 6.977717 6.126778 7.694103 6.899833 8.331275 7.977523 5.966464 4.829449 6.465027 4.134621 5.961307 4.817072 3.116390 2.571768 4.790799 5.046564 4.626799 3.848146 2.249155 3.191530 0.000000 6.961265 8.646248 2.087359 2.473942 5.791173 3.131707 4.749381 4.860586 3.991465 4.428280 6.042108 6.182692 2.582649 7.012452 1.092415 2.157775 2.082157 3.397884 2.624277 4.537813 4.006467 4.793000 6.215356 5.950345 7.341415 6.899677 8.129204 7.938225 4.541700 4.666782 3.760548 4.334813 5.424238 6.054397 6.501927 6.826780 6.699647 0.000000 4.275707 6.230848 2.597742 3.944584 2.686156 3.926173 4.949387 3.913515 4.018593 5.241355 6.351223 4.622171 3.342320 4.786782 2.717195 2.157087 3.189149 1.082476 3.407471 2.153007 3.875827 3.405009 2.744215 2.885644 3.658938 3.870198 4.481033 4.574037 3.239949 4.670307 4.497242 5.889711 5.970473 6.965500 6.505527 6.920364 5.423057 3.743319 0.000000 8.336458 9.936554 3.972316 3.723074 5.251953 4.406666 6.823326 6.649932 5.739199 6.736179 8.079394 7.755561 4.280299 8.450320 2.720924 2.152561 3.540885 3.405018 1.083617 3.865270 2.157377 3.403000 6.116229 6.097923 7.348385 7.334274 8.399909 8.399150 6.317291 6.167238 6.055149 6.676770 7.745987 8.126431 8.340711 8.945020 8.224136 2.385544 4.299900 0.000000 9.163271 10.568859 5.730671 5.350178 4.513956 6.206339 8.544872 8.033357 7.245757 8.732847 9.775734 8.839232 5.936292 9.321988 4.671290 3.390504 5.444161 3.876857 2.150759 3.385743 1.083507 2.145589 5.671329 5.911178 6.868549 7.279578 8.071701 8.255464 7.700133 7.487379 8.051879 8.829573 9.732225 9.966220 9.830014 10.661742 9.271611 4.692863 4.959326 2.485672 0.000000 8.085934 9.365065 6.060908 6.046634 2.569479 6.804803 8.650448 7.739521 7.315110 9.082464 9.884464 8.203264 6.313488 8.366761 5.386594 3.866936 6.093960 3.397367 3.408331 2.143101 2.164039 1.083200 3.809276 4.376718 4.838384 5.731267 6.087300 6.468804 7.352463 7.515131 8.399186 9.456329 9.981617 10.326867 9.793504 10.672476 8.686548 5.858399 4.287848 4.308927 2.491443 0.000000 4.972908 5.540223 4.186067 4.093707 2.707589 6.582279 5.545995 4.410841 4.201504 6.479597 6.522891 4.450149 3.935044 4.671467 4.600348 3.751161 5.644003 2.834057 4.428373 2.706033 4.357101 3.583302 2.156494 1.082571 3.407589 2.156559 3.877684 3.405798 4.385110 4.176027 6.142334 7.049156 7.278176 7.168072 6.204604 7.252328 4.779614 5.268354 2.826635 5.334864 5.235750 4.047977 0.000000 5.186082 6.659816 6.638552 7.700302 2.557380 7.313990 8.263477 6.842640 7.415237 8.807196 9.432162 6.720101 7.172964 6.081251 6.759888 5.804206 6.954831 4.431276 6.541764 3.836451 6.135104 4.862563 2.142603 3.400530 1.083498 3.872237 2.165580 3.409227 6.242587 7.787270 8.154163 9.651978 9.286416 10.286287 9.317409 9.798362 7.454661 7.762135 4.102710 7.612164 6.985537 4.871300 4.290839 0.000000 4.075472 3.426260 5.409475 5.425769 4.582497 8.082689 5.418766 4.131757 4.438357 6.671825 5.976566 3.344566 4.972039 3.224568 6.317749 5.871206 7.234492 4.917393 6.760952 4.992027 6.821379 6.010681 3.382797 2.143266 3.872659 1.083773 3.395316 2.153537 4.419779 4.174924 6.626762 7.400688 7.217939 6.830933 5.396425 6.489080 3.413025 7.016396 4.441415 7.602259 7.705295 6.377775 2.473497 4.955929 0.000000 4.352422 5.042500 7.493789 8.501585 4.508588 8.717474 8.198021 6.684965 7.569648 8.972519 9.079329 6.058828 7.809870 5.067999 8.051836 7.376092 8.324670 6.002915 8.319840 5.701184 8.090072 6.864859 3.385229 3.879193 2.145229 3.396030 1.084080 2.154314 6.289143 7.800771 8.549895 9.934417 9.262470 10.071152 8.813033 9.264342 6.671637 9.063432 5.367809 9.362514 9.001326 6.939989 4.961748 2.490714 4.295121 0.000000 3.713958 3.015777 6.980502 7.570333 5.253872 9.050342 6.905394 5.456406 6.293482 7.994681 7.465188 4.436577 6.898650 3.516681 7.869360 7.402883 8.442507 6.190626 8.407606 6.134988 8.361980 7.308040 3.863116 3.403199 3.400496 2.152874 2.153367 1.082636 5.459515 6.260386 7.858924 8.911885 8.285744 8.471160 6.981588 7.667567 4.743324 8.752765 5.502065 9.358533 9.292076 7.529231 4.299050 4.306802 2.482806 2.484767 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:2.7313,-.5552,1.7823;4.6892,-.9172,-.3692;-1.2456,1.9463,.2794;-1.6321,2.2724,-1.9171;-2.1201,-3.0929,.0774;-3.0356,2.1657,3.0629;1.4907,3.2452,-.3293;1.583,1.7568,-.0702;.6176,2.2805,-1.1408;.8802,4.111,.7557;2.5844,3.9517,-1.1081;2.738,.9519,-.4943;-.8442,2.1742,-.9947;3.2931,-.0308,.2115;-2.6673,1.8038,.4935;-3.1731,.4391,.0558;-2.8546,2.0129,1.9336;-2.3848,-.6868,.2893;-4.4108,.3278,-.5761;-2.8384,-1.9268,-.1487;-4.8619,-.9286,-.9788;-4.0756,-2.0599,-.7754;-.7345,-3.1085,-.0766;-.0787,-2.3641,-1.0569;-.0341,-3.9796,.7541;1.3022,-2.4991,-1.1954;1.344,-4.1132,.5951;2.0168,-3.3747,-.3781;1.0981,1.435,.8421;.9202,2.1558,-2.1728;.1468,3.578,1.3591;.3943,4.9859,.3127;1.6744,4.467,1.4187;2.1984,4.891,-1.5145;2.9649,3.3576,-1.94;3.4206,4.1896,-.4434;3.186,1.1722,-1.4565;-3.2047,2.5947,-.0347;-1.4258,-.5958,.783;-5.0086,1.2127,-.7604;-5.8214,-1.0257,-1.4729;-4.4028,-3.0398,-1.1011;-.633,-1.6915,-1.699;-.5727,-4.543,1.5067;1.8176,-1.9154,-1.9493;1.8912,-4.7912,1.2402;3.0893,-3.4707,-.4904; 0.1815318 0.1395481 0.0938246 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= 1.15D-06 NBF= 746 NBsUse= 745 1.00D-06 EigRej= 6.47D-07 NBFU= 745 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= 761 761 761 761 761 MxSgAt= 47 MxSgA2= 47. 1 Closed 1 1 1 -2050.96029894950 -2050.96029894920 0.000000000296 -2050.96029895 2 2.043974707806e+03 -1.065886771626e+04 3.643691361271e+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. PT2048.100S 2024-10-12T03:37:11.000 -101.57151 -101.57096 -19.19302 -19.17336 -19.13236 -14.33726 -10.32589 -10.29168 -10.28707 -10.24883 -10.24322 -10.23714 -10.20939 -10.20696 -10.20073 -10.20021 -10.19978 -10.18731 -10.18612 -10.18381 -10.18356 -10.17900 -10.17874 -10.17827 -10.17683 -10.17184 -10.16026 -10.15847 -9.48615 -9.48550 -7.25094 -7.25034 -7.24079 -7.24058 -7.24011 -7.23994 -1.13438 -1.08744 -1.04502 -0.93667 -0.92313 -0.89575 -0.88069 -0.86110 -0.84280 -0.81699 -0.77376 -0.77206 -0.75707 -0.75428 -0.73915 -0.72883 -0.69314 -0.67166 -0.64813 -0.63147 -0.61586 -0.60033 -0.59468 -0.58224 -0.56336 -0.55837 -0.54237 -0.51863 -0.50868 -0.50508 -0.49473 -0.49012 -0.48706 -0.48409 -0.47714 -0.46760 -0.45536 -0.44669 -0.44199 -0.43965 -0.43077 -0.42834 -0.41921 -0.41578 -0.41055 -0.40757 -0.40310 -0.39734 -0.39324 -0.38593 -0.38449 -0.37915 -0.37611 -0.37210 -0.36667 -0.36453 -0.36135 -0.35095 -0.35000 -0.34343 -0.34045 -0.33646 -0.33311 -0.33047 -0.32167 -0.30909 -0.29093 -0.27220 -0.26509 -0.26279 -0.24484 -0.23291 -0.04379 -0.03483 -0.02903 -0.02046 -0.01724 -0.01140 -0.00534 -0.00176 0.00292 0.01036 0.01428 0.01665 0.01747 0.02045 0.02962 0.03003 0.03363 0.03556 0.04094 0.04544 0.04791 0.04985 0.05436 0.05553 0.06128 0.06522 0.06664 0.06925 0.07197 0.07542 0.07994 0.08511 0.08666 0.09012 0.09188 0.09631 0.09741 0.09948 0.10314 0.10759 0.10810 0.11119 0.11424 0.11543 0.11995 0.12040 0.12312 0.12816 0.13016 0.13148 0.13504 0.13629 0.13682 0.14379 0.14538 0.14738 0.15044 0.15357 0.15560 0.15609 0.15692 0.15781 0.16263 0.16532 0.16909 0.17221 0.17290 0.17486 0.17933 0.18185 0.18417 0.18636 0.18782 0.19420 0.19468 0.19669 0.19962 0.20138 0.20237 0.20581 0.20909 0.21017 0.21216 0.21456 0.21657 0.21995 0.22091 0.22336 0.22548 0.22700 0.22800 0.23026 0.23304 0.23640 0.23713 0.23811 0.23914 0.24213 0.24557 0.24571 0.24740 0.24820 0.25109 0.25589 0.25752 0.25929 0.26193 0.26470 0.26627 0.26944 0.27095 0.27207 0.27289 0.27637 0.27683 0.27984 0.28445 0.28601 0.28825 0.29066 0.29255 0.29542 0.29863 0.30112 0.30414 0.30760 0.31139 0.31475 0.31834 0.32115 0.32459 0.32796 0.33135 0.33284 0.33341 0.33639 0.33931 0.34426 0.34851 0.35072 0.35610 0.35921 0.36110 0.36207 0.36516 0.36965 0.37405 0.37544 0.38060 0.38255 0.38781 0.39298 0.39751 0.40005 0.40684 0.41298 0.41871 0.42121 0.43173 0.43862 0.44663 0.45140 0.45691 0.46475 0.46854 0.47510 0.48529 0.48841 0.49135 0.49602 0.49901 0.51066 0.51555 0.51855 0.52760 0.53264 0.53484 0.54171 0.54591 0.55625 0.56414 0.56543 0.56833 0.56956 0.58044 0.58091 0.58549 0.58892 0.59503 0.59733 0.60194 0.60458 0.60854 0.61837 0.61986 0.62432 0.63099 0.63416 0.64172 0.64731 0.65147 0.65638 0.65824 0.66607 0.66871 0.66971 0.67330 0.67774 0.68228 0.68362 0.69036 0.69344 0.69688 0.70096 0.70477 0.70922 0.71185 0.71338 0.71681 0.71990 0.72403 0.72713 0.72827 0.73495 0.74163 0.74263 0.75104 0.75200 0.75792 0.76090 0.76696 0.76810 0.77110 0.77392 0.78299 0.78374 0.79391 0.79453 0.80016 0.80757 0.81198 0.81451 0.81794 0.81859 0.82592 0.82623 0.83493 0.83712 0.84333 0.84739 0.85202 0.85763 0.85919 0.86448 0.87441 0.88427 0.88669 0.89327 0.89910 0.90515 0.91383 0.91791 0.91861 0.92601 0.92881 0.93064 0.94078 0.94821 0.95363 0.96154 0.96357 0.97024 0.97413 0.97986 0.98676 0.99052 0.99774 1.00527 1.01393 1.01563 1.01745 1.02787 1.03493 1.03736 1.04460 1.05125 1.05767 1.05896 1.07240 1.07735 1.07975 1.08696 1.09640 1.09948 1.10639 1.10772 1.11428 1.12514 1.13684 1.14037 1.14783 1.15246 1.15469 1.18148 1.18820 1.19280 1.20459 1.20926 1.22930 1.23723 1.24941 1.25182 1.26988 1.28521 1.29863 1.31239 1.31776 1.32398 1.33182 1.34178 1.34363 1.35982 1.36400 1.37413 1.37938 1.39612 1.39730 1.41167 1.42758 1.43708 1.45696 1.46395 1.47025 1.47825 1.48474 1.49236 1.50662 1.51072 1.51516 1.51832 1.51847 1.52871 1.53192 1.53988 1.55332 1.55721 1.56908 1.57313 1.57522 1.58178 1.58813 1.58867 1.59453 1.60479 1.61368 1.62123 1.62699 1.63114 1.64112 1.64885 1.65757 1.66160 1.66757 1.67417 1.67917 1.68179 1.69148 1.69665 1.70033 1.71288 1.72387 1.72658 1.73121 1.73793 1.73974 1.75077 1.75784 1.76448 1.76808 1.77685 1.79073 1.80290 1.80689 1.81494 1.82181 1.82468 1.82576 1.83913 1.85376 1.85944 1.86325 1.86967 1.88011 1.89416 1.90752 1.91385 1.92022 1.92080 1.93264 1.93990 1.94376 1.94901 1.95765 1.96496 1.97718 1.98143 1.98555 1.99631 2.00279 2.00644 2.01207 2.01710 2.02416 2.03144 2.03892 2.04678 2.05141 2.05608 2.06372 2.06829 2.08091 2.08550 2.09683 2.09774 2.10102 2.11404 2.12286 2.12481 2.14025 2.16740 2.18752 2.20149 2.21470 2.22209 2.23673 2.24317 2.25302 2.26288 2.27439 2.28929 2.30803 2.32009 2.33333 2.34298 2.34745 2.35720 2.35867 2.37601 2.39172 2.40073 2.41316 2.41632 2.42328 2.43922 2.45519 2.45925 2.48014 2.48574 2.49285 2.50524 2.51184 2.51847 2.53386 2.53554 2.55197 2.56817 2.57663 2.59994 2.61514 2.62298 2.63219 2.63583 2.64686 2.65584 2.66014 2.66698 2.67478 2.68337 2.69870 2.71393 2.72039 2.72668 2.73094 2.73421 2.74361 2.75108 2.76024 2.76799 2.76964 2.77966 2.78836 2.79104 2.79633 2.79871 2.81010 2.81454 2.81724 2.82655 2.83135 2.83376 2.85128 2.85822 2.86368 2.86706 2.86860 2.88177 2.88958 2.90272 2.91183 2.91882 2.92248 2.93228 2.94513 2.94812 2.95213 2.97061 2.99124 2.99367 3.00227 3.01325 3.02378 3.04211 3.05025 3.06739 3.07896 3.09825 3.10471 3.10878 3.11283 3.12568 3.14838 3.15713 3.15925 3.17706 3.18225 3.18985 3.20641 3.22082 3.22829 3.24637 3.26597 3.27062 3.31578 3.34611 3.36053 3.37124 3.38584 3.39574 3.40533 3.41205 3.45578 3.46824 3.53075 3.54764 3.55921 3.58201 3.59661 3.62429 3.64639 3.65500 3.69395 3.70119 3.71883 3.72563 3.79355 3.81290 3.83516 3.84490 3.86084 3.90042 3.96994 3.97604 4.00090 4.01317 4.02710 4.04202 4.08949 4.11075 4.14478 4.15914 4.16963 4.17979 4.18359 4.23604 4.24584 4.31623 4.33773 4.54033 4.56342 4.63077 4.84552 4.85425 5.12104 5.14020 5.15280 5.24858 5.42455 5.42724 5.65650 5.87375 5.89588 9.79766 9.83004 23.53605 23.59958 23.62888 23.77586 23.80016 23.87131 23.89003 23.94899 23.96343 23.96395 23.97331 23.98520 23.99878 24.01952 24.07181 24.07799 24.09082 24.10206 24.18175 24.19046 24.19778 24.35476 25.94031 25.98864 26.09550 26.14888 26.62840 26.70083 35.87384 49.92965 49.97796 50.02200 215.79582 215.83314 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 0.115374 0.110623 0.145546 -0.275355 -0.025094 -0.335057 0.537813 0.471406 -0.259285 -0.530999 -0.511745 -1.773263 -0.382555 0.553004 0.522221 1.112598 -0.470596 0.648500 -0.530904 -1.183805 -0.275390 -0.206241 -0.603606 0.091158 -0.269784 0.289506 -0.128482 -0.250878 0.199425 0.208263 0.158225 0.166322 0.165826 0.170437 0.156531 0.171181 0.206023 0.252274 0.199743 0.165192 0.175463 0.170447 0.178018 0.164204 0.165192 0.168135 0.174390 -0.00000 1.9749 2.6488 -4.1308 5.2896 -171.8072 -171.9499 -197.6334 9.2580 6.2554 -8.5550 8.6563 8.5136 -17.1699 9.2580 6.2554 -8.5550 -71.6246 54.9735 -49.1484 48.7853 2.0036 -87.8911 80.6082 -50.4388 8.8755 -1.3293 -7684.8294 -6163.7031 -1750.5406 27.3074 281.1078 3.2743 -200.0102 161.4281 -152.7014 -2278.7239 -1765.4744 -1399.3738 -40.7717 83.1322 172.0663 (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A) (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(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-HAMILTON25 APULGAR 2024-10-12T00:00:00.000 0 Wavefunction CypermethrinCONF15 water 0 1 Version=EM64L-G16RevC.01 State=1-A HF=-2050.9602989 RMSD=3.350e-09 Dipole=-0.6471054,-1.0453344,-1.6791285 Quadrupole=1.5206563,8.7270778,-10.2477341,7.1974596,-6.9633221,6.2963322 PG=C01 [X(C22H19Cl2N1O3)] 0 -2.540932728 -0.4037815148 2.1412924933 0 -4.7400776098 -0.3688223102 0.2033962767 0 1.7672209217 -1.5820489146 0.0476286634 0 1.9925333792 -1.571857982 -2.1950014743 0 1.2835339763 3.5008708789 0.4063733085 0 3.8345475631 -1.5884896023 2.6411326297 0 -0.5886145973 -3.5011282883 -0.5111672341 0 -1.0347591488 -2.1257866328 -0.0636001357 0 -0.0844790467 -2.2614249126 -1.259846583 0 0.3351758059 -4.2746037485 0.4097187977 0 -1.5379002546 -4.3943720846 -1.2875902562 0 -2.396410007 -1.6227993106 -0.2974070846 0 1.3071878831 -1.7813455501 -1.2112741998 0 -3.1094435435 -0.9006722252 0.5640755775 0 3.118144206 -1.0848507574 0.171087164 0 3.2053324726 0.4021436178 -0.1308773028 0 3.5029679763 -1.3782615572 1.5561775961 0 2.1817720367 1.2457297623 0.2984198313 0 4.298948155 0.9042408671 -0.8348058166 0 2.251005788 2.5992753851 -0.0153849059 0 4.3652412745 2.2692911594 -1.1114104052 0 3.3390513005 3.1216052442 -0.7114109253 0 -0.0673130739 3.1588733579 0.3593305074 0 -0.607374284 2.3671236749 -0.6538861791 0 -0.8779911799 3.7224974268 1.3413807332 0 -1.9828764799 2.1391428776 -0.6711515773 0 -2.2526742267 3.4960083671 1.3034950085 0 -2.809808483 2.7046214696 0.2993281188 0 -0.5566189814 -1.7779860826 0.842672789 0 -0.5154719514 -2.1205399352 -2.2429956474 0 0.9649087448 -3.6269863743 1.0179543089 0 0.9814904067 -4.9381211789 -0.1732273806 0 -0.2660192885 -4.8951036519 1.0808965351 0 -0.9670260974 -5.150045189 -1.8348224731 0 -2.1439657399 -3.8445461725 -2.008789884 0 -2.2098215741 -4.9130998691 -0.5969542888 0 -2.8704628359 -1.8583378258 -1.2433652907 0 3.7832511611 -1.6456109668 -0.4896335834 0 1.336049826 0.8516631104 0.8472538552 0 5.0823486276 0.2354661687 -1.1713320124 0 5.2097320172 2.6693273515 -1.6598564061 0 3.3658288174 4.180765895 -0.9367629949 0 0.0314782967 1.9356514466 -1.4139246211 0 -0.4275260785 4.3320708734 2.1156341981 0 -2.4059762446 1.5165607567 -1.4508578512 0 -2.8857857966 3.9343140114 2.0665726343 0 -3.8763441619 2.5196010736 0.2801107428 Gaussian 16 12-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:-2.5409,-.4038,2.1413;-4.7401,-.3688,.2034;1.7672,-1.582,.0476;1.9925,-1.5719,-2.195;1.2835,3.5009,.4064;3.8345,-1.5885,2.6411;-.5886,-3.5011,-.5112;-1.0348,-2.1258,-.0636;-.0845,-2.2614,-1.2598;.3352,-4.2746,.4097;-1.5379,-4.3944,-1.2876;-2.3964,-1.6228,-.2974;1.3072,-1.7813,-1.2113;-3.1094,-.9007,.5641;3.1181,-1.0849,.1711;3.2053,.4021,-.1309;3.503,-1.3783,1.5562;2.1818,1.2457,.2984;4.2989,.9042,-.8348;2.251,2.5993,-.0154;4.3652,2.2693,-1.1114;3.3391,3.1216,-.7114;-.0673,3.1589,.3593;-.6074,2.3671,-.6539;-.878,3.7225,1.3414;-1.9829,2.1391,-.6712;-2.2527,3.496,1.3035;-2.8098,2.7046,.2993;-.5566,-1.778,.8427;-.5155,-2.1205,-2.243;.9649,-3.627,1.018;.9815,-4.9381,-.1732;-.266,-4.8951,1.0809;-.967,-5.15,-1.8348;-2.144,-3.8445,-2.0088;-2.2098,-4.9131,-.597;-2.8705,-1.8583,-1.2434;3.7833,-1.6456,-.4896;1.336,.8517,.8473;5.0823,.2355,-1.1713;5.2097,2.6693,-1.6599;3.3658,4.1808,-.9368;.0315,1.9357,-1.4139;-.4275,4.3321,2.1156;-2.406,1.5166,-1.4509;-2.8858,3.9343,2.0666;-3.8763,2.5196,.2801; 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 CONF15 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 2920.2834746833 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 -0.0593365309 PCM SMD-Coulomb. Total charges None On-the-fly selection Water 78.355300 1.777849 0.000000 2.931365 0.000000 4.932741 6.621262 0.000000 6.381235 7.247597 2.253943 0.000000 5.734353 7.162375 5.118469 5.744772 0.000000 6.503854 8.997463 3.316646 5.175083 6.115833 0.000000 4.521133 5.249437 3.089511 3.635891 7.305807 5.758432 0.000000 3.177328 4.109452 2.856416 3.743556 6.103657 5.595928 1.513581 0.000000 4.588328 5.234274 2.366397 2.379916 6.152382 5.570390 1.533472 1.533765 0.000000 5.123828 6.407487 3.071110 4.103198 7.833096 4.943685 1.516471 2.591943 2.648858 0.000000 5.356130 5.355561 4.540462 4.610200 8.553646 7.222952 1.517188 2.626363 2.581214 2.530537 0.000000 2.730228 2.704818 4.178102 4.781870 6.347385 6.889196 2.615710 1.470291 2.584407 3.872164 3.065798 0.000000 5.286343 6.369139 1.355059 1.217088 5.524414 4.611483 2.653652 2.630686 1.472947 3.128700 3.863710 3.817974 0.000000 1.748633 1.752690 4.951045 5.838935 6.220667 7.280541 3.777975 2.489819 3.785334 4.824173 4.254921 1.331179 4.840877 0.000000 6.030814 7.890842 1.444798 2.665061 4.944694 2.620689 4.477045 4.287800 3.699823 4.239856 5.895712 5.560502 2.382350 6.242693 0.000000 6.231519 7.989723 2.457041 3.102930 3.685656 3.470241 5.456573 4.936936 4.380871 5.513802 6.844180 5.958829 3.088339 6.485113 1.519848 0.000000 6.149854 8.414083 2.308694 4.048486 5.482141 1.153806 5.051883 4.875802 4.645401 4.442755 6.526430 6.188557 3.555660 6.703458 1.467193 2.470746 0.000000 5.331136 7.108292 2.868986 3.767195 2.429845 4.031472 5.555460 4.673784 4.456930 5.822060 6.939895 5.435367 3.493889 5.716168 2.514878 1.394134 3.195754 0.000000 7.573114 9.187086 3.656497 3.647019 4.168421 4.302502 6.587890 6.182577 5.423701 6.639335 7.896145 7.176528 4.037912 7.752345 2.522420 1.394135 3.400030 2.425541 0.000000 6.052461 7.598205 4.209690 4.713374 1.388076 5.205964 6.747160 5.755414 5.534400 7.148520 8.055149 6.285215 4.637972 6.428050 3.789391 2.398221 4.456234 1.391169 2.781845 0.000000 8.088302 9.570538 4.788100 4.643096 3.649298 5.407928 7.628809 7.040925 6.352120 7.834400 8.904074 7.844163 5.076349 8.290165 3.801358 2.406880 4.600455 2.793356 1.394370 2.404195 0.000000 7.425664 8.848293 5.017086 5.103210 2.370324 5.802591 7.702419 6.861851 6.402996 8.061272 8.978115 7.454951 5.330784 7.706404 4.303705 2.783949 5.041590 2.424451 2.419366 1.393242 1.392661 0.000000 4.688997 5.856934 5.093036 5.757378 1.394261 6.555043 6.736850 5.389105 5.657001 7.444536 7.869339 5.359141 5.363004 5.077045 5.309592 4.306979 5.896180 2.953339 5.057031 2.414159 4.754153 3.570881 0.000000 4.385155 5.029868 4.661200 4.964890 2.446440 6.799610 5.870017 4.551630 4.697241 6.792069 6.854581 4.387164 4.602828 4.292117 5.145503 4.321044 5.983912 3.153371 5.122964 2.938012 4.994578 4.018311 1.394683 0.000000 4.520112 5.740176 6.067055 6.983990 2.365491 7.218307 7.463005 6.016725 6.572927 8.142076 8.557484 5.793394 6.448515 5.192040 6.359975 5.464963 6.727309 4.072382 6.283236 3.590691 5.968206 4.728475 1.392585 2.427213 0.000000 3.832458 3.828431 5.331711 5.647790 3.699297 7.662173 5.812247 4.411085 4.828610 6.904911 6.577600 3.803012 5.146502 3.469210 6.092940 5.497870 6.886771 4.368358 6.404146 4.309003 6.364697 5.412002 2.402317 1.394374 2.788919 0.000000 3.999170 4.725919 6.597228 7.479608 3.648235 8.043361 7.417683 5.912431 6.664820 8.238824 8.335630 5.365234 6.844498 4.539999 7.149287 6.435780 7.546507 5.073287 7.362971 4.777730 7.150763 5.955453 2.404352 2.795127 1.393731 2.411038 0.000000 3.623161 3.630592 6.275993 6.897278 4.171442 8.249989 6.640929 5.159008 5.875378 7.655893 7.384563 4.387888 6.273394 3.627398 7.036844 6.455107 7.622385 5.200408 7.420381 5.071684 7.325369 6.245314 2.780508 2.423477 2.419476 1.394781 1.394648 0.000000 2.740867 4.460464 2.463883 3.970911 5.607393 4.748969 2.191603 1.082088 2.208442 2.686233 3.513746 2.169953 2.773533 2.713708 3.799388 4.455675 4.141149 4.115562 5.795240 5.270620 6.665103 6.449606 4.984538 4.407289 5.532387 4.435062 5.559135 5.046371 0.000000 5.125596 5.186583 3.278356 2.567771 6.469609 6.562047 2.215988 2.240413 1.082675 3.521432 2.669920 2.751543 2.121695 4.012034 4.483705 4.966826 5.579655 5.006565 5.857554 5.906971 6.661266 6.684548 5.902978 4.761601 6.864420 4.771673 6.865936 5.916889 3.104897 0.000000 4.893042 6.620121 2.401459 3.950019 7.161138 3.876210 2.183458 2.724341 2.855582 1.089001 3.488333 4.128608 2.914276 4.923326 3.437450 4.751126 3.433394 5.073643 5.922884 6.441131 7.131798 7.360078 6.895445 6.418448 7.583917 6.692590 7.821217 7.406360 2.400952 3.885190 0.000000 6.190695 7.331895 3.453892 4.054813 8.464263 5.223082 2.155083 3.462153 3.079243 1.094442 2.807988 4.734658 3.338990 5.794856 4.419450 5.784954 4.692685 6.316893 6.751030 7.645190 8.017278 8.414685 8.181988 7.491470 8.986547 7.689152 9.152872 8.544517 3.658454 3.803104 1.771514 0.000000 5.145060 6.424518 4.022193 5.184258 8.564373 5.493877 2.140538 3.093534 3.528215 1.094045 2.734619 4.140804 4.174268 4.930279 5.176712 6.448217 5.176807 6.656860 7.625040 7.981414 8.808140 8.970871 8.088676 7.474352 8.643229 7.449691 8.625956 8.052176 3.139685 4.336899 1.768408 1.769451 0.000000 6.388559 6.422643 4.873431 4.657483 9.215548 7.468197 2.148066 3.505418 3.074673 2.738630 1.093802 4.104662 4.112055 5.329337 6.102302 7.151140 6.760627 7.441209 8.086093 8.585922 9.165312 9.392793 8.640713 7.617860 9.424341 7.451063 9.287420 8.345432 4.325297 3.090050 3.767017 2.569538 3.009622 0.000000 5.405518 4.869725 4.964386 4.723390 8.457891 7.902796 2.186304 2.822807 2.703456 3.490025 1.090758 2.815798 4.099182 4.027180 6.329106 7.083496 7.118947 7.067258 8.089521 8.050607 8.975192 8.959572 7.679086 6.540774 8.371767 6.133495 8.053992 6.975841 3.862794 2.383074 4.344377 3.785984 3.765171 1.766290 0.000000 5.285980 5.262434 5.227643 5.601557 9.165430 7.620541 2.151589 3.071539 3.462353 2.810352 1.094319 3.309172 4.749171 4.272808 6.605498 7.602166 7.054575 7.617019 8.732818 8.756311 9.751044 9.765223 8.406044 7.454712 8.950109 7.056284 8.621290 7.693698 3.825512 3.657686 3.786942 3.219417 2.567854 1.770029 1.771842 0.000000 3.698680 2.794143 4.821941 4.963508 6.978427 7.753664 2.905461 2.198450 2.815041 4.341330 2.865161 1.083993 4.178483 2.059388 6.201804 6.577438 6.977717 6.126778 7.694103 6.899833 8.331275 7.977523 5.966464 4.829449 6.465027 4.134621 5.961307 4.817072 3.116390 2.571768 4.790799 5.046564 4.626799 3.848146 2.249155 3.191530 0.000000 6.961265 8.646248 2.087359 2.473942 5.791173 3.131707 4.749381 4.860586 3.991465 4.428280 6.042108 6.182692 2.582649 7.012452 1.092415 2.157775 2.082157 3.397884 2.624277 4.537813 4.006467 4.793000 6.215356 5.950345 7.341415 6.899677 8.129204 7.938225 4.541700 4.666782 3.760548 4.334813 5.424238 6.054397 6.501927 6.826780 6.699647 0.000000 4.275707 6.230848 2.597742 3.944584 2.686156 3.926173 4.949387 3.913515 4.018593 5.241355 6.351223 4.622171 3.342320 4.786782 2.717195 2.157087 3.189149 1.082476 3.407471 2.153007 3.875827 3.405009 2.744215 2.885644 3.658938 3.870198 4.481033 4.574037 3.239949 4.670307 4.497242 5.889711 5.970473 6.965500 6.505527 6.920364 5.423057 3.743319 0.000000 8.336458 9.936554 3.972316 3.723074 5.251953 4.406666 6.823326 6.649932 5.739199 6.736179 8.079394 7.755561 4.280299 8.450320 2.720924 2.152561 3.540885 3.405018 1.083617 3.865270 2.157377 3.403000 6.116229 6.097923 7.348385 7.334274 8.399909 8.399150 6.317291 6.167238 6.055149 6.676770 7.745987 8.126431 8.340711 8.945020 8.224136 2.385544 4.299900 0.000000 9.163271 10.568859 5.730671 5.350178 4.513956 6.206339 8.544872 8.033357 7.245757 8.732847 9.775734 8.839232 5.936292 9.321988 4.671290 3.390504 5.444161 3.876857 2.150759 3.385743 1.083507 2.145589 5.671329 5.911178 6.868549 7.279578 8.071701 8.255464 7.700133 7.487379 8.051879 8.829573 9.732225 9.966220 9.830014 10.661742 9.271611 4.692863 4.959326 2.485672 0.000000 8.085934 9.365065 6.060908 6.046634 2.569479 6.804803 8.650448 7.739521 7.315110 9.082464 9.884464 8.203264 6.313488 8.366761 5.386594 3.866936 6.093960 3.397367 3.408331 2.143101 2.164039 1.083200 3.809276 4.376718 4.838384 5.731267 6.087300 6.468804 7.352463 7.515131 8.399186 9.456329 9.981617 10.326867 9.793504 10.672476 8.686548 5.858399 4.287848 4.308927 2.491443 0.000000 4.972908 5.540223 4.186067 4.093707 2.707589 6.582279 5.545995 4.410841 4.201504 6.479597 6.522891 4.450149 3.935044 4.671467 4.600348 3.751161 5.644003 2.834057 4.428373 2.706033 4.357101 3.583302 2.156494 1.082571 3.407589 2.156559 3.877684 3.405798 4.385110 4.176027 6.142334 7.049156 7.278176 7.168072 6.204604 7.252328 4.779614 5.268354 2.826635 5.334864 5.235750 4.047977 0.000000 5.186082 6.659816 6.638552 7.700302 2.557380 7.313990 8.263477 6.842640 7.415237 8.807196 9.432162 6.720101 7.172964 6.081251 6.759888 5.804206 6.954831 4.431276 6.541764 3.836451 6.135104 4.862563 2.142603 3.400530 1.083498 3.872237 2.165580 3.409227 6.242587 7.787270 8.154163 9.651978 9.286416 10.286287 9.317409 9.798362 7.454661 7.762135 4.102710 7.612164 6.985537 4.871300 4.290839 0.000000 4.075472 3.426260 5.409475 5.425769 4.582497 8.082689 5.418766 4.131757 4.438357 6.671825 5.976566 3.344566 4.972039 3.224568 6.317749 5.871206 7.234492 4.917393 6.760952 4.992027 6.821379 6.010681 3.382797 2.143266 3.872659 1.083773 3.395316 2.153537 4.419779 4.174924 6.626762 7.400688 7.217939 6.830933 5.396425 6.489080 3.413025 7.016396 4.441415 7.602259 7.705295 6.377775 2.473497 4.955929 0.000000 4.352422 5.042500 7.493789 8.501585 4.508588 8.717474 8.198021 6.684965 7.569648 8.972519 9.079329 6.058828 7.809870 5.067999 8.051836 7.376092 8.324670 6.002915 8.319840 5.701184 8.090072 6.864859 3.385229 3.879193 2.145229 3.396030 1.084080 2.154314 6.289143 7.800771 8.549895 9.934417 9.262470 10.071152 8.813033 9.264342 6.671637 9.063432 5.367809 9.362514 9.001326 6.939989 4.961748 2.490714 4.295121 0.000000 3.713958 3.015777 6.980502 7.570333 5.253872 9.050342 6.905394 5.456406 6.293482 7.994681 7.465188 4.436577 6.898650 3.516681 7.869360 7.402883 8.442507 6.190626 8.407606 6.134988 8.361980 7.308040 3.863116 3.403199 3.400496 2.152874 2.153367 1.082636 5.459515 6.260386 7.858924 8.911885 8.285744 8.471160 6.981588 7.667567 4.743324 8.752765 5.502065 9.358533 9.292076 7.529231 4.299050 4.306802 2.482806 2.484767 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:2.7313,-.5552,1.7823;4.6892,-.9172,-.3692;-1.2456,1.9463,.2794;-1.6321,2.2724,-1.9171;-2.1201,-3.0929,.0774;-3.0356,2.1657,3.0629;1.4907,3.2452,-.3293;1.583,1.7568,-.0702;.6176,2.2805,-1.1408;.8802,4.111,.7557;2.5844,3.9517,-1.1081;2.738,.9519,-.4943;-.8442,2.1742,-.9947;3.2931,-.0308,.2115;-2.6673,1.8038,.4935;-3.1731,.4391,.0558;-2.8546,2.0129,1.9336;-2.3848,-.6868,.2893;-4.4108,.3278,-.5761;-2.8384,-1.9268,-.1487;-4.8619,-.9286,-.9788;-4.0756,-2.0599,-.7754;-.7345,-3.1085,-.0766;-.0787,-2.3641,-1.0569;-.0341,-3.9796,.7541;1.3022,-2.4991,-1.1954;1.344,-4.1132,.5951;2.0168,-3.3747,-.3781;1.0981,1.435,.8421;.9202,2.1558,-2.1728;.1468,3.578,1.3591;.3943,4.9859,.3127;1.6744,4.467,1.4187;2.1984,4.891,-1.5145;2.9649,3.3576,-1.94;3.4206,4.1896,-.4434;3.186,1.1722,-1.4565;-3.2047,2.5947,-.0347;-1.4258,-.5958,.783;-5.0086,1.2127,-.7604;-5.8214,-1.0257,-1.4729;-4.4028,-3.0398,-1.1011;-.633,-1.6915,-1.699;-.5727,-4.543,1.5067;1.8176,-1.9154,-1.9493;1.8912,-4.7912,1.2402;3.0893,-3.4707,-.4904; 0.1815318 0.1395481 0.0938246 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= 1.15D-06 NBF= 746 NBsUse= 745 1.00D-06 EigRej= 6.47D-07 NBFU= 745 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= 761 761 761 761 761 MxSgAt= 47 MxSgA2= 47. 1 Closed 1 1 1 -2050.96029894951 -2050.96029894924 0.000000000272 -2050.96029895 2 2.043974707806e+03 -1.065886771626e+04 3.643691361271e+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 4.4721 277.24 0.0411 0.000 108 109 0.68112 -2050.79595053 2 Singlet-A 4.8351 256.42 0.0043 0.000 108 110 0.68486 108 111 0.12481 3 Singlet-A 4.8918 253.45 0.1075 0.000 108 110 -0.12384 108 111 0.65432 4 Singlet-A 4.9608 249.93 0.0300 0.000 107 109 0.61819 107 110 -0.25973 107 112 0.13538 5 Singlet-A 5.0417 245.92 0.0290 0.000 104 111 0.10699 106 111 -0.15206 106 115 0.12552 107 109 0.12380 107 110 0.13156 108 111 0.12506 108 112 0.50505 108 113 -0.28087 108 114 -0.10279 6 Singlet-A 5.0541 245.31 0.1449 0.000 107 109 0.30293 107 110 0.54813 107 112 -0.13846 107 114 -0.13201 108 112 -0.13451 7 Singlet-A 5.1743 239.62 0.0414 0.000 107 110 0.16335 107 112 0.43682 107 113 0.41726 107 115 0.10837 108 113 0.21391 8 Singlet-A 5.2656 235.46 0.0099 0.000 104 109 -0.15610 104 111 -0.19427 105 109 0.44747 105 111 -0.16993 106 109 -0.37062 108 109 -0.10263 108 113 -0.13296 9 Singlet-A 5.2965 234.09 0.0004 0.000 107 111 -0.11623 107 112 -0.14176 107 113 -0.12909 108 112 0.39234 108 113 0.52365 10 Singlet-A 5.3714 230.82 0.0089 0.000 107 111 0.64675 107 112 -0.14716 108 113 0.14038 108 114 -0.10871 PT59184.800S 2024-10-12T07:49:00.000 -101.57151 -101.57096 -19.19302 -19.17336 -19.13236 -14.33726 -10.32589 -10.29168 -10.28707 -10.24883 -10.24322 -10.23714 -10.20939 -10.20696 -10.20073 -10.20021 -10.19978 -10.18731 -10.18612 -10.18381 -10.18356 -10.17900 -10.17874 -10.17827 -10.17683 -10.17184 -10.16026 -10.15847 -9.48615 -9.48550 -7.25094 -7.25034 -7.24079 -7.24058 -7.24011 -7.23994 -1.13438 -1.08744 -1.04502 -0.93667 -0.92313 -0.89575 -0.88069 -0.86110 -0.84280 -0.81699 -0.77376 -0.77206 -0.75707 -0.75428 -0.73915 -0.72883 -0.69314 -0.67166 -0.64813 -0.63147 -0.61586 -0.60033 -0.59468 -0.58224 -0.56336 -0.55837 -0.54237 -0.51863 -0.50868 -0.50508 -0.49473 -0.49012 -0.48706 -0.48409 -0.47714 -0.46760 -0.45536 -0.44669 -0.44199 -0.43965 -0.43077 -0.42834 -0.41921 -0.41578 -0.41055 -0.40757 -0.40310 -0.39734 -0.39324 -0.38593 -0.38449 -0.37915 -0.37611 -0.37210 -0.36667 -0.36453 -0.36135 -0.35095 -0.35000 -0.34343 -0.34045 -0.33646 -0.33311 -0.33047 -0.32167 -0.30909 -0.29093 -0.27220 -0.26509 -0.26279 -0.24484 -0.23291 -0.04379 -0.03483 -0.02903 -0.02046 -0.01724 -0.01140 -0.00534 -0.00176 0.00292 0.01036 0.01428 0.01665 0.01747 0.02045 0.02962 0.03003 0.03363 0.03556 0.04094 0.04544 0.04791 0.04985 0.05436 0.05553 0.06128 0.06522 0.06664 0.06925 0.07197 0.07542 0.07994 0.08511 0.08666 0.09012 0.09188 0.09631 0.09741 0.09948 0.10314 0.10759 0.10810 0.11119 0.11424 0.11543 0.11995 0.12040 0.12312 0.12816 0.13016 0.13148 0.13504 0.13629 0.13682 0.14379 0.14538 0.14738 0.15044 0.15357 0.15560 0.15609 0.15692 0.15781 0.16263 0.16532 0.16909 0.17221 0.17290 0.17486 0.17933 0.18185 0.18417 0.18636 0.18782 0.19420 0.19468 0.19669 0.19962 0.20138 0.20237 0.20581 0.20909 0.21017 0.21216 0.21456 0.21657 0.21995 0.22091 0.22336 0.22548 0.22700 0.22800 0.23026 0.23304 0.23640 0.23713 0.23811 0.23914 0.24213 0.24557 0.24571 0.24740 0.24820 0.25109 0.25589 0.25752 0.25929 0.26193 0.26470 0.26627 0.26944 0.27095 0.27207 0.27289 0.27637 0.27683 0.27984 0.28445 0.28601 0.28825 0.29066 0.29255 0.29542 0.29863 0.30112 0.30414 0.30760 0.31139 0.31475 0.31834 0.32115 0.32459 0.32796 0.33135 0.33284 0.33341 0.33639 0.33931 0.34426 0.34851 0.35072 0.35610 0.35921 0.36110 0.36207 0.36516 0.36965 0.37405 0.37544 0.38060 0.38255 0.38781 0.39298 0.39751 0.40005 0.40684 0.41298 0.41871 0.42121 0.43173 0.43862 0.44663 0.45140 0.45691 0.46475 0.46854 0.47510 0.48529 0.48841 0.49135 0.49602 0.49901 0.51066 0.51555 0.51855 0.52760 0.53264 0.53484 0.54171 0.54591 0.55625 0.56414 0.56543 0.56833 0.56956 0.58044 0.58091 0.58549 0.58892 0.59503 0.59733 0.60194 0.60458 0.60854 0.61837 0.61986 0.62432 0.63099 0.63416 0.64172 0.64731 0.65147 0.65638 0.65824 0.66607 0.66871 0.66971 0.67330 0.67774 0.68228 0.68362 0.69036 0.69344 0.69688 0.70096 0.70477 0.70922 0.71185 0.71338 0.71681 0.71990 0.72403 0.72713 0.72827 0.73495 0.74163 0.74263 0.75104 0.75200 0.75792 0.76090 0.76696 0.76810 0.77110 0.77392 0.78299 0.78374 0.79391 0.79453 0.80016 0.80757 0.81198 0.81451 0.81794 0.81859 0.82592 0.82623 0.83493 0.83712 0.84333 0.84739 0.85202 0.85763 0.85919 0.86448 0.87441 0.88427 0.88669 0.89327 0.89910 0.90515 0.91383 0.91791 0.91861 0.92601 0.92881 0.93064 0.94078 0.94821 0.95363 0.96154 0.96357 0.97024 0.97413 0.97986 0.98676 0.99052 0.99774 1.00527 1.01393 1.01563 1.01745 1.02787 1.03493 1.03736 1.04460 1.05125 1.05767 1.05896 1.07240 1.07735 1.07975 1.08696 1.09640 1.09948 1.10639 1.10772 1.11428 1.12514 1.13684 1.14037 1.14783 1.15246 1.15469 1.18148 1.18820 1.19280 1.20459 1.20926 1.22930 1.23723 1.24941 1.25182 1.26988 1.28521 1.29863 1.31239 1.31776 1.32398 1.33182 1.34178 1.34363 1.35982 1.36400 1.37413 1.37938 1.39612 1.39730 1.41167 1.42758 1.43708 1.45696 1.46395 1.47025 1.47825 1.48474 1.49236 1.50662 1.51072 1.51516 1.51832 1.51847 1.52871 1.53192 1.53988 1.55332 1.55721 1.56908 1.57313 1.57522 1.58178 1.58813 1.58867 1.59453 1.60479 1.61368 1.62123 1.62699 1.63114 1.64112 1.64885 1.65757 1.66160 1.66757 1.67417 1.67917 1.68179 1.69148 1.69665 1.70033 1.71288 1.72387 1.72658 1.73121 1.73793 1.73974 1.75077 1.75784 1.76448 1.76808 1.77685 1.79073 1.80290 1.80689 1.81494 1.82181 1.82468 1.82576 1.83913 1.85376 1.85944 1.86325 1.86967 1.88011 1.89416 1.90752 1.91385 1.92022 1.92080 1.93264 1.93990 1.94376 1.94901 1.95765 1.96496 1.97718 1.98143 1.98555 1.99631 2.00279 2.00644 2.01207 2.01710 2.02416 2.03144 2.03892 2.04678 2.05141 2.05608 2.06372 2.06829 2.08091 2.08550 2.09683 2.09774 2.10102 2.11404 2.12286 2.12481 2.14025 2.16740 2.18752 2.20149 2.21470 2.22209 2.23673 2.24317 2.25302 2.26288 2.27439 2.28929 2.30803 2.32009 2.33333 2.34298 2.34745 2.35720 2.35867 2.37601 2.39172 2.40073 2.41316 2.41632 2.42328 2.43922 2.45519 2.45925 2.48014 2.48574 2.49285 2.50524 2.51184 2.51847 2.53386 2.53554 2.55197 2.56817 2.57663 2.59994 2.61514 2.62298 2.63219 2.63583 2.64686 2.65584 2.66014 2.66698 2.67478 2.68337 2.69870 2.71393 2.72039 2.72668 2.73094 2.73421 2.74361 2.75108 2.76024 2.76799 2.76964 2.77966 2.78836 2.79104 2.79633 2.79871 2.81010 2.81454 2.81724 2.82655 2.83135 2.83376 2.85128 2.85822 2.86368 2.86706 2.86860 2.88177 2.88958 2.90272 2.91183 2.91882 2.92248 2.93228 2.94513 2.94812 2.95213 2.97061 2.99124 2.99367 3.00227 3.01325 3.02378 3.04211 3.05025 3.06739 3.07896 3.09825 3.10471 3.10878 3.11283 3.12568 3.14838 3.15713 3.15925 3.17706 3.18225 3.18985 3.20641 3.22082 3.22829 3.24637 3.26597 3.27062 3.31578 3.34611 3.36053 3.37124 3.38584 3.39574 3.40533 3.41205 3.45578 3.46824 3.53075 3.54764 3.55921 3.58201 3.59661 3.62429 3.64639 3.65500 3.69395 3.70119 3.71883 3.72563 3.79355 3.81290 3.83516 3.84490 3.86084 3.90042 3.96994 3.97604 4.00090 4.01317 4.02710 4.04202 4.08949 4.11075 4.14478 4.15914 4.16963 4.17979 4.18359 4.23604 4.24584 4.31623 4.33773 4.54033 4.56342 4.63077 4.84552 4.85425 5.12104 5.14020 5.15280 5.24858 5.42455 5.42724 5.65650 5.87375 5.89588 9.79766 9.83004 23.53605 23.59958 23.62888 23.77586 23.80016 23.87131 23.89003 23.94899 23.96343 23.96395 23.97331 23.98520 23.99878 24.01952 24.07181 24.07799 24.09082 24.10206 24.18175 24.19046 24.19778 24.35476 25.94031 25.98864 26.09550 26.14888 26.62840 26.70083 35.87384 49.92965 49.97796 50.02200 215.79582 215.83314 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 0.115374 0.110623 0.145546 -0.275355 -0.025094 -0.335057 0.537813 0.471406 -0.259285 -0.530999 -0.511745 -1.773263 -0.382555 0.553004 0.522221 1.112598 -0.470596 0.648500 -0.530904 -1.183805 -0.275390 -0.206241 -0.603606 0.091158 -0.269784 0.289506 -0.128482 -0.250878 0.199425 0.208263 0.158225 0.166322 0.165826 0.170437 0.156531 0.171181 0.206023 0.252274 0.199743 0.165192 0.175463 0.170447 0.178018 0.164204 0.165192 0.168135 0.174390 -0.00000 1.9749 2.6488 -4.1308 5.2896 -171.8072 -171.9499 -197.6334 9.2580 6.2554 -8.5550 8.6563 8.5136 -17.1699 9.2580 6.2554 -8.5550 -71.6246 54.9735 -49.1484 48.7853 2.0036 -87.8911 80.6082 -50.4388 8.8755 -1.3293 -7684.8294 -6163.7031 -1750.5406 27.3074 281.1078 3.2743 -200.0102 161.4281 -152.7014 -2278.7239 -1765.4744 -1399.3738 -40.7717 83.1322 172.0663 (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A) (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(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-HAMILTON25 APULGAR 2024-10-12T00:00:00.000 0 Electronic spectrum Cypermethrin CONF15 water 0 1 Version=EM64L-G16RevC.01 State=1-A HF=-2050.9602989 RMSD=3.369e-09 PG=C01 [X(C22H19Cl2N1O3)] 0 -2.540932728 -0.4037815148 2.1412924933 0 -4.7400776098 -0.3688223102 0.2033962767 0 1.7672209217 -1.5820489146 0.0476286634 0 1.9925333792 -1.571857982 -2.1950014743 0 1.2835339763 3.5008708789 0.4063733085 0 3.8345475631 -1.5884896023 2.6411326297 0 -0.5886145973 -3.5011282883 -0.5111672341 0 -1.0347591488 -2.1257866328 -0.0636001357 0 -0.0844790467 -2.2614249126 -1.259846583 0 0.3351758059 -4.2746037485 0.4097187977 0 -1.5379002546 -4.3943720846 -1.2875902562 0 -2.396410007 -1.6227993106 -0.2974070846 0 1.3071878831 -1.7813455501 -1.2112741998 0 -3.1094435435 -0.9006722252 0.5640755775 0 3.118144206 -1.0848507574 0.171087164 0 3.2053324726 0.4021436178 -0.1308773028 0 3.5029679763 -1.3782615572 1.5561775961 0 2.1817720367 1.2457297623 0.2984198313 0 4.298948155 0.9042408671 -0.8348058166 0 2.251005788 2.5992753851 -0.0153849059 0 4.3652412745 2.2692911594 -1.1114104052 0 3.3390513005 3.1216052442 -0.7114109253 0 -0.0673130739 3.1588733579 0.3593305074 0 -0.607374284 2.3671236749 -0.6538861791 0 -0.8779911799 3.7224974268 1.3413807332 0 -1.9828764799 2.1391428776 -0.6711515773 0 -2.2526742267 3.4960083671 1.3034950085 0 -2.809808483 2.7046214696 0.2993281188 0 -0.5566189814 -1.7779860826 0.842672789 0 -0.5154719514 -2.1205399352 -2.2429956474 0 0.9649087448 -3.6269863743 1.0179543089 0 0.9814904067 -4.9381211789 -0.1732273806 0 -0.2660192885 -4.8951036519 1.0808965351 0 -0.9670260974 -5.150045189 -1.8348224731 0 -2.1439657399 -3.8445461725 -2.008789884 0 -2.2098215741 -4.9130998691 -0.5969542888 0 -2.8704628359 -1.8583378258 -1.2433652907 0 3.7832511611 -1.6456109668 -0.4896335834 0 1.336049826 0.8516631104 0.8472538552 0 5.0823486276 0.2354661687 -1.1713320124 0 5.2097320172 2.6693273515 -1.6598564061 0 3.3658288174 4.180765895 -0.9367629949 0 0.0314782967 1.9356514466 -1.4139246211 0 -0.4275260785 4.3320708734 2.1156341981 0 -2.4059762446 1.5165607567 -1.4508578512 0 -2.8857857966 3.9343140114 2.0665726343 0 -3.8763441619 2.5196010736 0.2801107428 Gaussian 16 12-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:-2.5409,-.4038,2.1413;-4.7401,-.3688,.2034;1.7672,-1.582,.0476;1.9925,-1.5719,-2.195;1.2835,3.5009,.4064;3.8345,-1.5885,2.6411;-.5886,-3.5011,-.5112;-1.0348,-2.1258,-.0636;-.0845,-2.2614,-1.2598;.3352,-4.2746,.4097;-1.5379,-4.3944,-1.2876;-2.3964,-1.6228,-.2974;1.3072,-1.7813,-1.2113;-3.1094,-.9007,.5641;3.1181,-1.0849,.1711;3.2053,.4021,-.1309;3.503,-1.3783,1.5562;2.1818,1.2457,.2984;4.2989,.9042,-.8348;2.251,2.5993,-.0154;4.3652,2.2693,-1.1114;3.3391,3.1216,-.7114;-.0673,3.1589,.3593;-.6074,2.3671,-.6539;-.878,3.7225,1.3414;-1.9829,2.1391,-.6712;-2.2527,3.496,1.3035;-2.8098,2.7046,.2993;-.5566,-1.778,.8427;-.5155,-2.1205,-2.243;.9649,-3.627,1.018;.9815,-4.9381,-.1732;-.266,-4.8951,1.0809;-.967,-5.15,-1.8348;-2.144,-3.8445,-2.0088;-2.2098,-4.9131,-.597;-2.8705,-1.8583,-1.2434;3.7833,-1.6456,-.4896;1.336,.8517,.8473;5.0823,.2355,-1.1713;5.2097,2.6693,-1.6599;3.3658,4.1808,-.9368;.0315,1.9357,-1.4139;-.4275,4.3321,2.1156;-2.406,1.5166,-1.4509;-2.8858,3.9343,2.0666;-3.8763,2.5196,.2801; 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 CONF15 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 2920.2834746833 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 -0.0593365309 PCM SMD-Coulomb. Total charges None On-the-fly selection Water 78.355300 1.777849 0.000000 2.931365 0.000000 4.932741 6.621262 0.000000 6.381235 7.247597 2.253943 0.000000 5.734353 7.162375 5.118469 5.744772 0.000000 6.503854 8.997463 3.316646 5.175083 6.115833 0.000000 4.521133 5.249437 3.089511 3.635891 7.305807 5.758432 0.000000 3.177328 4.109452 2.856416 3.743556 6.103657 5.595928 1.513581 0.000000 4.588328 5.234274 2.366397 2.379916 6.152382 5.570390 1.533472 1.533765 0.000000 5.123828 6.407487 3.071110 4.103198 7.833096 4.943685 1.516471 2.591943 2.648858 0.000000 5.356130 5.355561 4.540462 4.610200 8.553646 7.222952 1.517188 2.626363 2.581214 2.530537 0.000000 2.730228 2.704818 4.178102 4.781870 6.347385 6.889196 2.615710 1.470291 2.584407 3.872164 3.065798 0.000000 5.286343 6.369139 1.355059 1.217088 5.524414 4.611483 2.653652 2.630686 1.472947 3.128700 3.863710 3.817974 0.000000 1.748633 1.752690 4.951045 5.838935 6.220667 7.280541 3.777975 2.489819 3.785334 4.824173 4.254921 1.331179 4.840877 0.000000 6.030814 7.890842 1.444798 2.665061 4.944694 2.620689 4.477045 4.287800 3.699823 4.239856 5.895712 5.560502 2.382350 6.242693 0.000000 6.231519 7.989723 2.457041 3.102930 3.685656 3.470241 5.456573 4.936936 4.380871 5.513802 6.844180 5.958829 3.088339 6.485113 1.519848 0.000000 6.149854 8.414083 2.308694 4.048486 5.482141 1.153806 5.051883 4.875802 4.645401 4.442755 6.526430 6.188557 3.555660 6.703458 1.467193 2.470746 0.000000 5.331136 7.108292 2.868986 3.767195 2.429845 4.031472 5.555460 4.673784 4.456930 5.822060 6.939895 5.435367 3.493889 5.716168 2.514878 1.394134 3.195754 0.000000 7.573114 9.187086 3.656497 3.647019 4.168421 4.302502 6.587890 6.182577 5.423701 6.639335 7.896145 7.176528 4.037912 7.752345 2.522420 1.394135 3.400030 2.425541 0.000000 6.052461 7.598205 4.209690 4.713374 1.388076 5.205964 6.747160 5.755414 5.534400 7.148520 8.055149 6.285215 4.637972 6.428050 3.789391 2.398221 4.456234 1.391169 2.781845 0.000000 8.088302 9.570538 4.788100 4.643096 3.649298 5.407928 7.628809 7.040925 6.352120 7.834400 8.904074 7.844163 5.076349 8.290165 3.801358 2.406880 4.600455 2.793356 1.394370 2.404195 0.000000 7.425664 8.848293 5.017086 5.103210 2.370324 5.802591 7.702419 6.861851 6.402996 8.061272 8.978115 7.454951 5.330784 7.706404 4.303705 2.783949 5.041590 2.424451 2.419366 1.393242 1.392661 0.000000 4.688997 5.856934 5.093036 5.757378 1.394261 6.555043 6.736850 5.389105 5.657001 7.444536 7.869339 5.359141 5.363004 5.077045 5.309592 4.306979 5.896180 2.953339 5.057031 2.414159 4.754153 3.570881 0.000000 4.385155 5.029868 4.661200 4.964890 2.446440 6.799610 5.870017 4.551630 4.697241 6.792069 6.854581 4.387164 4.602828 4.292117 5.145503 4.321044 5.983912 3.153371 5.122964 2.938012 4.994578 4.018311 1.394683 0.000000 4.520112 5.740176 6.067055 6.983990 2.365491 7.218307 7.463005 6.016725 6.572927 8.142076 8.557484 5.793394 6.448515 5.192040 6.359975 5.464963 6.727309 4.072382 6.283236 3.590691 5.968206 4.728475 1.392585 2.427213 0.000000 3.832458 3.828431 5.331711 5.647790 3.699297 7.662173 5.812247 4.411085 4.828610 6.904911 6.577600 3.803012 5.146502 3.469210 6.092940 5.497870 6.886771 4.368358 6.404146 4.309003 6.364697 5.412002 2.402317 1.394374 2.788919 0.000000 3.999170 4.725919 6.597228 7.479608 3.648235 8.043361 7.417683 5.912431 6.664820 8.238824 8.335630 5.365234 6.844498 4.539999 7.149287 6.435780 7.546507 5.073287 7.362971 4.777730 7.150763 5.955453 2.404352 2.795127 1.393731 2.411038 0.000000 3.623161 3.630592 6.275993 6.897278 4.171442 8.249989 6.640929 5.159008 5.875378 7.655893 7.384563 4.387888 6.273394 3.627398 7.036844 6.455107 7.622385 5.200408 7.420381 5.071684 7.325369 6.245314 2.780508 2.423477 2.419476 1.394781 1.394648 0.000000 2.740867 4.460464 2.463883 3.970911 5.607393 4.748969 2.191603 1.082088 2.208442 2.686233 3.513746 2.169953 2.773533 2.713708 3.799388 4.455675 4.141149 4.115562 5.795240 5.270620 6.665103 6.449606 4.984538 4.407289 5.532387 4.435062 5.559135 5.046371 0.000000 5.125596 5.186583 3.278356 2.567771 6.469609 6.562047 2.215988 2.240413 1.082675 3.521432 2.669920 2.751543 2.121695 4.012034 4.483705 4.966826 5.579655 5.006565 5.857554 5.906971 6.661266 6.684548 5.902978 4.761601 6.864420 4.771673 6.865936 5.916889 3.104897 0.000000 4.893042 6.620121 2.401459 3.950019 7.161138 3.876210 2.183458 2.724341 2.855582 1.089001 3.488333 4.128608 2.914276 4.923326 3.437450 4.751126 3.433394 5.073643 5.922884 6.441131 7.131798 7.360078 6.895445 6.418448 7.583917 6.692590 7.821217 7.406360 2.400952 3.885190 0.000000 6.190695 7.331895 3.453892 4.054813 8.464263 5.223082 2.155083 3.462153 3.079243 1.094442 2.807988 4.734658 3.338990 5.794856 4.419450 5.784954 4.692685 6.316893 6.751030 7.645190 8.017278 8.414685 8.181988 7.491470 8.986547 7.689152 9.152872 8.544517 3.658454 3.803104 1.771514 0.000000 5.145060 6.424518 4.022193 5.184258 8.564373 5.493877 2.140538 3.093534 3.528215 1.094045 2.734619 4.140804 4.174268 4.930279 5.176712 6.448217 5.176807 6.656860 7.625040 7.981414 8.808140 8.970871 8.088676 7.474352 8.643229 7.449691 8.625956 8.052176 3.139685 4.336899 1.768408 1.769451 0.000000 6.388559 6.422643 4.873431 4.657483 9.215548 7.468197 2.148066 3.505418 3.074673 2.738630 1.093802 4.104662 4.112055 5.329337 6.102302 7.151140 6.760627 7.441209 8.086093 8.585922 9.165312 9.392793 8.640713 7.617860 9.424341 7.451063 9.287420 8.345432 4.325297 3.090050 3.767017 2.569538 3.009622 0.000000 5.405518 4.869725 4.964386 4.723390 8.457891 7.902796 2.186304 2.822807 2.703456 3.490025 1.090758 2.815798 4.099182 4.027180 6.329106 7.083496 7.118947 7.067258 8.089521 8.050607 8.975192 8.959572 7.679086 6.540774 8.371767 6.133495 8.053992 6.975841 3.862794 2.383074 4.344377 3.785984 3.765171 1.766290 0.000000 5.285980 5.262434 5.227643 5.601557 9.165430 7.620541 2.151589 3.071539 3.462353 2.810352 1.094319 3.309172 4.749171 4.272808 6.605498 7.602166 7.054575 7.617019 8.732818 8.756311 9.751044 9.765223 8.406044 7.454712 8.950109 7.056284 8.621290 7.693698 3.825512 3.657686 3.786942 3.219417 2.567854 1.770029 1.771842 0.000000 3.698680 2.794143 4.821941 4.963508 6.978427 7.753664 2.905461 2.198450 2.815041 4.341330 2.865161 1.083993 4.178483 2.059388 6.201804 6.577438 6.977717 6.126778 7.694103 6.899833 8.331275 7.977523 5.966464 4.829449 6.465027 4.134621 5.961307 4.817072 3.116390 2.571768 4.790799 5.046564 4.626799 3.848146 2.249155 3.191530 0.000000 6.961265 8.646248 2.087359 2.473942 5.791173 3.131707 4.749381 4.860586 3.991465 4.428280 6.042108 6.182692 2.582649 7.012452 1.092415 2.157775 2.082157 3.397884 2.624277 4.537813 4.006467 4.793000 6.215356 5.950345 7.341415 6.899677 8.129204 7.938225 4.541700 4.666782 3.760548 4.334813 5.424238 6.054397 6.501927 6.826780 6.699647 0.000000 4.275707 6.230848 2.597742 3.944584 2.686156 3.926173 4.949387 3.913515 4.018593 5.241355 6.351223 4.622171 3.342320 4.786782 2.717195 2.157087 3.189149 1.082476 3.407471 2.153007 3.875827 3.405009 2.744215 2.885644 3.658938 3.870198 4.481033 4.574037 3.239949 4.670307 4.497242 5.889711 5.970473 6.965500 6.505527 6.920364 5.423057 3.743319 0.000000 8.336458 9.936554 3.972316 3.723074 5.251953 4.406666 6.823326 6.649932 5.739199 6.736179 8.079394 7.755561 4.280299 8.450320 2.720924 2.152561 3.540885 3.405018 1.083617 3.865270 2.157377 3.403000 6.116229 6.097923 7.348385 7.334274 8.399909 8.399150 6.317291 6.167238 6.055149 6.676770 7.745987 8.126431 8.340711 8.945020 8.224136 2.385544 4.299900 0.000000 9.163271 10.568859 5.730671 5.350178 4.513956 6.206339 8.544872 8.033357 7.245757 8.732847 9.775734 8.839232 5.936292 9.321988 4.671290 3.390504 5.444161 3.876857 2.150759 3.385743 1.083507 2.145589 5.671329 5.911178 6.868549 7.279578 8.071701 8.255464 7.700133 7.487379 8.051879 8.829573 9.732225 9.966220 9.830014 10.661742 9.271611 4.692863 4.959326 2.485672 0.000000 8.085934 9.365065 6.060908 6.046634 2.569479 6.804803 8.650448 7.739521 7.315110 9.082464 9.884464 8.203264 6.313488 8.366761 5.386594 3.866936 6.093960 3.397367 3.408331 2.143101 2.164039 1.083200 3.809276 4.376718 4.838384 5.731267 6.087300 6.468804 7.352463 7.515131 8.399186 9.456329 9.981617 10.326867 9.793504 10.672476 8.686548 5.858399 4.287848 4.308927 2.491443 0.000000 4.972908 5.540223 4.186067 4.093707 2.707589 6.582279 5.545995 4.410841 4.201504 6.479597 6.522891 4.450149 3.935044 4.671467 4.600348 3.751161 5.644003 2.834057 4.428373 2.706033 4.357101 3.583302 2.156494 1.082571 3.407589 2.156559 3.877684 3.405798 4.385110 4.176027 6.142334 7.049156 7.278176 7.168072 6.204604 7.252328 4.779614 5.268354 2.826635 5.334864 5.235750 4.047977 0.000000 5.186082 6.659816 6.638552 7.700302 2.557380 7.313990 8.263477 6.842640 7.415237 8.807196 9.432162 6.720101 7.172964 6.081251 6.759888 5.804206 6.954831 4.431276 6.541764 3.836451 6.135104 4.862563 2.142603 3.400530 1.083498 3.872237 2.165580 3.409227 6.242587 7.787270 8.154163 9.651978 9.286416 10.286287 9.317409 9.798362 7.454661 7.762135 4.102710 7.612164 6.985537 4.871300 4.290839 0.000000 4.075472 3.426260 5.409475 5.425769 4.582497 8.082689 5.418766 4.131757 4.438357 6.671825 5.976566 3.344566 4.972039 3.224568 6.317749 5.871206 7.234492 4.917393 6.760952 4.992027 6.821379 6.010681 3.382797 2.143266 3.872659 1.083773 3.395316 2.153537 4.419779 4.174924 6.626762 7.400688 7.217939 6.830933 5.396425 6.489080 3.413025 7.016396 4.441415 7.602259 7.705295 6.377775 2.473497 4.955929 0.000000 4.352422 5.042500 7.493789 8.501585 4.508588 8.717474 8.198021 6.684965 7.569648 8.972519 9.079329 6.058828 7.809870 5.067999 8.051836 7.376092 8.324670 6.002915 8.319840 5.701184 8.090072 6.864859 3.385229 3.879193 2.145229 3.396030 1.084080 2.154314 6.289143 7.800771 8.549895 9.934417 9.262470 10.071152 8.813033 9.264342 6.671637 9.063432 5.367809 9.362514 9.001326 6.939989 4.961748 2.490714 4.295121 0.000000 3.713958 3.015777 6.980502 7.570333 5.253872 9.050342 6.905394 5.456406 6.293482 7.994681 7.465188 4.436577 6.898650 3.516681 7.869360 7.402883 8.442507 6.190626 8.407606 6.134988 8.361980 7.308040 3.863116 3.403199 3.400496 2.152874 2.153367 1.082636 5.459515 6.260386 7.858924 8.911885 8.285744 8.471160 6.981588 7.667567 4.743324 8.752765 5.502065 9.358533 9.292076 7.529231 4.299050 4.306802 2.482806 2.484767 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:2.7313,-.5552,1.7823;4.6892,-.9172,-.3692;-1.2456,1.9463,.2794;-1.6321,2.2724,-1.9171;-2.1201,-3.0929,.0774;-3.0356,2.1657,3.0629;1.4907,3.2452,-.3293;1.583,1.7568,-.0702;.6176,2.2805,-1.1408;.8802,4.111,.7557;2.5844,3.9517,-1.1081;2.738,.9519,-.4943;-.8442,2.1742,-.9947;3.2931,-.0308,.2115;-2.6673,1.8038,.4935;-3.1731,.4391,.0558;-2.8546,2.0129,1.9336;-2.3848,-.6868,.2893;-4.4108,.3278,-.5761;-2.8384,-1.9268,-.1487;-4.8619,-.9286,-.9788;-4.0756,-2.0599,-.7754;-.7345,-3.1085,-.0766;-.0787,-2.3641,-1.0569;-.0341,-3.9796,.7541;1.3022,-2.4991,-1.1954;1.344,-4.1132,.5951;2.0168,-3.3747,-.3781;1.0981,1.435,.8421;.9202,2.1558,-2.1728;.1468,3.578,1.3591;.3943,4.9859,.3127;1.6744,4.467,1.4187;2.1984,4.891,-1.5145;2.9649,3.3576,-1.94;3.4206,4.1896,-.4434;3.186,1.1722,-1.4565;-3.2047,2.5947,-.0347;-1.4258,-.5958,.783;-5.0086,1.2127,-.7604;-5.8214,-1.0257,-1.4729;-4.4028,-3.0398,-1.1011;-.633,-1.6915,-1.699;-.5727,-4.543,1.5067;1.8176,-1.9154,-1.9493;1.8912,-4.7912,1.2402;3.0893,-3.4707,-.4904; 0.1815318 0.1395481 0.0938246 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= 1.05D-06 NBF= 1279 NBsUse= 1275 1.00D-06 EigRej= 8.62D-07 NBFU= 1275 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= 1407 1407 1407 1407 1407 MxSgAt= 47 MxSgA2= 47. 1 Closed 1 1 1 -2050.96564961482 -2051.04835460108 -0.082704986266 -2051.04806612954 0.000288471542 -2051.04887636956 -0.000810240018 -2051.04892102905 -0.000044659487 -2051.04892569351 -0.000004664461 -2051.04892659505 -0.000000901546 -2051.04892666542 -0.000000070370 -2051.04892668034 -0.000000014918 -2051.04892668088 -0.000000000544 -2051.04892668133 -0.000000000448 -2051.04892668197 -0.000000000640 -2051.04892668 12 2.043596249573e+03 -1.065899475160e+04 3.644108227108e+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. PT56991.900S 2024-10-12T11:53:23.000 -101.56930 -101.56882 -19.19188 -19.17258 -19.13048 -14.33504 -10.32231 -10.28923 -10.28471 -10.24656 -10.24119 -10.23536 -10.20824 -10.20512 -10.19908 -10.19843 -10.19804 -10.18533 -10.18451 -10.18197 -10.18166 -10.17741 -10.17729 -10.17656 -10.17512 -10.17026 -10.15904 -10.15732 -9.48394 -9.48331 -7.24796 -7.24740 -7.23902 -7.23877 -7.23834 -7.23816 -1.13023 -1.08408 -1.04105 -0.93277 -0.91916 -0.89357 -0.87831 -0.85902 -0.83973 -0.81441 -0.77162 -0.76991 -0.75514 -0.75251 -0.73758 -0.72706 -0.69248 -0.66977 -0.64595 -0.62953 -0.61423 -0.59830 -0.59299 -0.58039 -0.56174 -0.55650 -0.54055 -0.51713 -0.50715 -0.50321 -0.49324 -0.48844 -0.48546 -0.48223 -0.47561 -0.46588 -0.45389 -0.44548 -0.44043 -0.43868 -0.42935 -0.42693 -0.41832 -0.41484 -0.40966 -0.40664 -0.40212 -0.39626 -0.39215 -0.38480 -0.38376 -0.37847 -0.37477 -0.37122 -0.36548 -0.36343 -0.36015 -0.34977 -0.34898 -0.34251 -0.33956 -0.33578 -0.33227 -0.32949 -0.32061 -0.30815 -0.29036 -0.27165 -0.26445 -0.26238 -0.24410 -0.23230 -0.04335 -0.03500 -0.02902 -0.02127 -0.01787 -0.01174 -0.00542 -0.00144 0.00204 0.00896 0.01337 0.01601 0.01631 0.01926 0.02805 0.02874 0.03214 0.03436 0.03915 0.04403 0.04656 0.04827 0.05255 0.05399 0.05937 0.06372 0.06460 0.06743 0.06997 0.07396 0.07774 0.08305 0.08539 0.08871 0.09021 0.09367 0.09546 0.09780 0.10072 0.10405 0.10662 0.10880 0.11133 0.11434 0.11669 0.11866 0.12070 0.12585 0.12817 0.12928 0.13143 0.13385 0.13533 0.14068 0.14225 0.14521 0.14815 0.15129 0.15249 0.15357 0.15419 0.15527 0.16000 0.16040 0.16595 0.16806 0.16974 0.17235 0.17384 0.17719 0.18020 0.18194 0.18400 0.18839 0.18959 0.19093 0.19437 0.19560 0.19710 0.19940 0.20483 0.20546 0.20681 0.21010 0.21066 0.21199 0.21469 0.21673 0.21696 0.21973 0.22163 0.22501 0.22658 0.22803 0.23043 0.23229 0.23246 0.23535 0.23686 0.24041 0.24132 0.24305 0.24438 0.24679 0.24880 0.25181 0.25341 0.25540 0.25936 0.26011 0.26223 0.26488 0.26701 0.26936 0.27056 0.27163 0.27412 0.27593 0.27803 0.28238 0.28400 0.28627 0.29003 0.29273 0.29481 0.29690 0.29972 0.30440 0.30525 0.30872 0.31346 0.31587 0.31848 0.31931 0.32411 0.32537 0.32728 0.32962 0.33301 0.33465 0.33611 0.34043 0.34116 0.34221 0.34793 0.34945 0.35225 0.35234 0.35543 0.36057 0.36241 0.36546 0.36703 0.36857 0.37138 0.37432 0.38070 0.38618 0.38916 0.39081 0.39278 0.39770 0.40000 0.40467 0.40571 0.40672 0.41347 0.41441 0.41666 0.41818 0.42153 0.42545 0.42795 0.43612 0.44293 0.44374 0.44446 0.44638 0.45064 0.45469 0.45761 0.45914 0.46582 0.46804 0.47092 0.47449 0.47871 0.48259 0.48531 0.48825 0.49065 0.49411 0.49857 0.50447 0.50609 0.50709 0.50915 0.51361 0.52062 0.52214 0.52433 0.52934 0.53043 0.53429 0.53931 0.54172 0.54433 0.54796 0.55248 0.55553 0.55625 0.55940 0.56026 0.56385 0.56735 0.56970 0.57207 0.57418 0.57463 0.57700 0.58056 0.58524 0.58863 0.59109 0.59298 0.59342 0.59800 0.60069 0.60233 0.60734 0.60880 0.61124 0.61459 0.61794 0.61893 0.62155 0.62347 0.62535 0.62811 0.63024 0.63543 0.63701 0.64172 0.64513 0.64527 0.64985 0.65444 0.65554 0.66205 0.66543 0.66948 0.67507 0.67703 0.68016 0.68096 0.68339 0.68691 0.68941 0.69090 0.69781 0.70092 0.70574 0.70919 0.71246 0.71634 0.71960 0.72176 0.72439 0.72682 0.73151 0.73261 0.74198 0.74490 0.74671 0.74988 0.75074 0.75631 0.75990 0.76154 0.76853 0.77058 0.78189 0.78369 0.78579 0.78944 0.79432 0.79518 0.79696 0.80157 0.80397 0.80889 0.81520 0.81741 0.82360 0.82485 0.82993 0.83069 0.83639 0.83918 0.84413 0.84592 0.84953 0.85342 0.86243 0.86873 0.87225 0.87885 0.88267 0.88697 0.89336 0.89645 0.90170 0.90617 0.91033 0.91353 0.92039 0.92277 0.93278 0.93452 0.93888 0.94325 0.94535 0.96062 0.96283 0.97127 0.97199 0.97556 0.97895 0.98188 0.98719 0.99170 1.00101 1.00588 1.01002 1.01361 1.01645 1.01979 1.02671 1.03537 1.04165 1.04878 1.05362 1.05711 1.06110 1.06467 1.06751 1.07281 1.08092 1.08497 1.08767 1.09113 1.09561 1.10054 1.10450 1.10895 1.11163 1.11392 1.12531 1.13200 1.13403 1.13847 1.14080 1.14441 1.14851 1.15219 1.15252 1.15806 1.16340 1.16876 1.17588 1.17641 1.18041 1.18557 1.18645 1.19134 1.19334 1.19487 1.19632 1.20196 1.20902 1.21035 1.21454 1.21915 1.22042 1.22455 1.22808 1.22921 1.23131 1.23586 1.23889 1.24161 1.24553 1.25088 1.25371 1.25527 1.25898 1.26568 1.26834 1.27102 1.27524 1.27886 1.28173 1.28728 1.28937 1.29392 1.29748 1.30006 1.30733 1.31383 1.31789 1.31998 1.32359 1.32633 1.32862 1.33060 1.33552 1.33981 1.34511 1.34840 1.35114 1.35279 1.36005 1.36451 1.36814 1.36940 1.37524 1.37618 1.38041 1.38351 1.38512 1.39156 1.39244 1.39467 1.39881 1.40442 1.40689 1.41007 1.41326 1.41516 1.41885 1.42093 1.42444 1.42565 1.43510 1.43937 1.44371 1.44531 1.44729 1.45434 1.45775 1.46117 1.46316 1.46612 1.47069 1.47528 1.48013 1.48459 1.48829 1.49232 1.49972 1.50555 1.51084 1.51712 1.52012 1.52335 1.52726 1.53168 1.53563 1.54083 1.54577 1.55412 1.56180 1.56896 1.57475 1.57687 1.58259 1.58466 1.58543 1.59222 1.60232 1.60759 1.60915 1.61901 1.62121 1.62599 1.63683 1.64124 1.64690 1.64896 1.65360 1.66082 1.66513 1.67240 1.67449 1.68079 1.68833 1.69819 1.70270 1.70693 1.71591 1.72129 1.72696 1.73388 1.74117 1.74675 1.75270 1.75811 1.76560 1.77372 1.77983 1.79021 1.79508 1.80368 1.80843 1.81315 1.82663 1.83074 1.83619 1.83791 1.84572 1.85107 1.85787 1.86720 1.86934 1.87041 1.88260 1.88408 1.88543 1.89809 1.90137 1.91957 1.93136 1.93447 1.93650 1.95184 1.96059 1.96912 1.97040 1.97737 1.97925 1.98935 2.00165 2.00472 2.00870 2.01960 2.03475 2.04136 2.04490 2.04815 2.05273 2.05871 2.06364 2.07198 2.07252 2.08142 2.08481 2.08861 2.09426 2.09729 2.10468 2.11474 2.11569 2.12313 2.13504 2.13770 2.14212 2.14780 2.15092 2.15788 2.17371 2.17409 2.18131 2.18674 2.19900 2.20791 2.21143 2.21606 2.22995 2.23270 2.24426 2.24922 2.26430 2.26609 2.28789 2.29017 2.29874 2.30139 2.30437 2.32254 2.32560 2.34438 2.35410 2.36409 2.36976 2.37734 2.38606 2.39448 2.39676 2.40463 2.41999 2.42126 2.42764 2.43150 2.43913 2.44367 2.44741 2.45897 2.45995 2.46183 2.47174 2.47766 2.48351 2.49730 2.50474 2.51476 2.52437 2.53124 2.54250 2.54620 2.55993 2.56599 2.59487 2.59949 2.62409 2.62819 2.64860 2.65008 2.65720 2.67147 2.67673 2.68621 2.70084 2.71446 2.73282 2.74261 2.75673 2.77098 2.77437 2.79292 2.79687 2.80402 2.81268 2.81610 2.82006 2.82466 2.82759 2.83340 2.83823 2.84589 2.84821 2.85325 2.86370 2.87436 2.87787 2.88090 2.89094 2.89280 2.90002 2.90433 2.90835 2.91371 2.91577 2.92004 2.92709 2.92956 2.93703 2.93981 2.94235 2.94723 2.95585 2.96143 2.96843 2.96954 2.97349 2.98220 2.98517 2.99427 3.00039 3.00536 3.00955 3.01544 3.01730 3.02345 3.03020 3.03612 3.04414 3.04702 3.05414 3.06348 3.06981 3.07186 3.07635 3.09294 3.09896 3.10472 3.10848 3.11115 3.11956 3.12630 3.13297 3.13743 3.14611 3.15041 3.15911 3.16640 3.17470 3.18749 3.19069 3.19236 3.20033 3.21276 3.21822 3.22264 3.22853 3.23028 3.24087 3.24518 3.24750 3.25433 3.25902 3.26690 3.26944 3.28047 3.28368 3.28751 3.28909 3.29943 3.30313 3.31000 3.31783 3.31823 3.31989 3.32966 3.33474 3.34092 3.35412 3.35991 3.36699 3.37513 3.38161 3.38446 3.39724 3.39993 3.40473 3.40652 3.41272 3.42045 3.42189 3.42662 3.43454 3.44474 3.45101 3.46659 3.46973 3.48049 3.48369 3.49198 3.49474 3.51539 3.52183 3.52946 3.53759 3.53832 3.54217 3.54873 3.55660 3.56415 3.57188 3.58006 3.58934 3.59783 3.60125 3.60735 3.61353 3.62262 3.62634 3.63453 3.63598 3.64540 3.65230 3.65613 3.66169 3.66652 3.67323 3.67986 3.68587 3.68846 3.69562 3.70129 3.71307 3.72721 3.73157 3.74339 3.75021 3.75389 3.76024 3.76591 3.77568 3.78452 3.78958 3.79644 3.80605 3.80809 3.81792 3.82222 3.83447 3.84730 3.85018 3.85553 3.86733 3.87844 3.89377 3.89565 3.90368 3.92745 3.93514 3.94192 3.95407 3.97631 3.98810 4.00008 4.00817 4.01481 4.02165 4.03922 4.04961 4.07211 4.07334 4.10603 4.12520 4.13813 4.17014 4.18374 4.18630 4.19159 4.19994 4.21699 4.21811 4.22872 4.23066 4.24121 4.24693 4.26723 4.27203 4.28073 4.28373 4.29624 4.30480 4.31518 4.32082 4.33661 4.33967 4.34222 4.34884 4.35091 4.35413 4.36253 4.36667 4.37240 4.37690 4.38121 4.38753 4.39043 4.40104 4.40213 4.41243 4.41829 4.41939 4.42743 4.43261 4.44004 4.45785 4.46453 4.46862 4.47143 4.47525 4.48806 4.49403 4.50282 4.51453 4.51791 4.52256 4.53277 4.54079 4.54646 4.55485 4.55906 4.57005 4.57112 4.57521 4.58439 4.59167 4.60269 4.61420 4.61745 4.63013 4.64128 4.64663 4.65739 4.66719 4.70306 4.70481 4.71501 4.74140 4.74507 4.75870 4.76402 4.77529 4.78760 4.80129 4.81829 4.83063 4.83600 4.85828 4.87241 4.88007 4.88825 4.91583 4.94502 4.96967 4.98498 4.99232 4.99833 5.02073 5.08635 5.09980 5.13083 5.15725 5.18166 5.19305 5.19871 5.21091 5.21856 5.23204 5.23894 5.25558 5.26005 5.27998 5.29995 5.30630 5.31670 5.32400 5.34807 5.35437 5.37897 5.40881 5.44514 5.46424 5.46546 5.47576 5.47914 5.52513 5.54078 5.56225 5.57078 5.57828 5.60225 5.63089 5.65411 5.65756 5.68191 5.71053 5.71832 5.74148 5.75863 5.78477 5.79228 5.79779 5.80765 5.81058 5.83176 5.85359 5.86960 5.87297 5.88329 5.90795 5.91481 5.94253 5.95190 5.95796 5.97402 5.98513 6.00450 6.01519 6.01936 6.02501 6.10605 6.14717 6.18498 6.21849 6.30189 6.33433 6.46833 6.53838 6.61524 6.64752 6.69511 6.75988 6.84792 6.91894 7.05041 7.06281 7.10094 7.10457 7.11463 7.11702 7.14148 7.14460 7.16119 7.18566 7.18639 7.19782 7.20908 7.22739 7.23761 7.24856 7.25385 7.26137 7.26548 7.28259 7.29703 7.30605 7.31280 7.32059 7.32699 7.33116 7.33710 7.35133 7.35998 7.36911 7.37075 7.38012 7.40422 7.42174 7.44374 7.44602 7.45466 7.46334 7.46569 7.47568 7.47904 7.48806 7.49478 7.51163 7.51714 7.54476 7.56675 7.56975 7.59142 7.60207 7.63117 7.63787 7.64462 7.65149 7.66056 7.69387 7.70092 7.70372 7.71355 7.72425 7.74722 7.77150 7.80972 7.83728 7.87134 7.87188 7.90445 7.91305 7.91712 7.94721 7.95729 7.96240 7.96509 7.97547 7.98421 7.98609 8.01188 8.02509 8.02958 8.05160 8.05981 8.10842 8.10951 8.12528 8.13193 8.17253 8.19713 8.22693 8.25792 8.26837 8.28473 8.29747 8.30596 8.31938 8.34778 8.37402 8.41599 8.46288 8.46731 8.49808 8.51853 8.58979 8.60412 8.61640 8.71208 8.71953 8.73747 8.86305 9.03923 9.38336 9.40173 10.06488 10.08856 10.19650 10.20177 10.88611 10.89557 11.17915 14.41836 14.45447 14.47465 14.48078 14.48996 14.50017 14.58649 14.61339 14.68436 14.80609 14.97670 15.07535 15.10037 15.11059 15.24380 23.99242 24.07997 24.09150 24.33922 24.45560 24.58386 24.62291 24.66162 24.75759 24.96957 24.97222 24.97835 24.99465 25.15438 25.25340 25.38443 25.39515 25.40738 25.41291 25.72505 25.80302 25.81013 26.21075 26.34497 26.64290 26.72864 27.90625 28.42369 37.00910 50.25106 50.28566 50.50161 216.08690 216.12576 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 -0.864203 -0.761006 -0.364699 -0.781240 -0.833727 -1.152385 0.315629 0.413391 -0.372922 -0.490045 -0.480400 0.153819 0.701020 0.560891 0.856064 1.055592 0.709397 -0.521231 -0.865520 0.595370 -0.072819 -0.557702 0.542773 -0.520991 -0.307841 0.357447 -0.176852 -0.263018 0.177028 0.154363 0.181800 0.159297 0.153285 0.154114 0.167964 0.159833 0.183413 0.182987 0.183992 0.164049 0.159948 0.165412 0.175926 0.158984 0.128968 0.157967 0.155878 -0.00000 1.9664 2.4992 -4.0514 5.1504 -171.8705 -171.3121 -197.2466 9.7826 6.3729 -8.4820 8.2726 8.8310 -17.1036 9.7826 6.3729 -8.4820 -68.7333 52.4310 -49.1535 47.2979 0.8477 -86.0191 80.3739 -50.4667 8.4357 -0.6206 -7683.0047 -6151.4087 -1748.2001 32.1947 279.9542 9.5870 -196.8759 162.8359 -151.9960 -2275.7586 -1762.2822 -1397.9061 -42.2262 82.8724 170.9850 (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A) (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(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-HAMILTON25 APULGAR 2024-10-12T00:00:00.000 0 Single Point Cypermethrin CONF15 water 0 1 Version=EM64L-G16RevC.01 State=1-A HF=-2051.0489267 RMSD=4.240e-09 Dipole=-0.6558413,-0.9911811,-1.6411596 Quadrupole=1.065628,9.1394227,-10.2050507,7.3956981,-6.9605741,6.2356111 PG=C01 [X(C22H19Cl2N1O3)] 0 -2.540932728 -0.4037815148 2.1412924933 0 -4.7400776098 -0.3688223102 0.2033962767 0 1.7672209217 -1.5820489146 0.0476286634 0 1.9925333792 -1.571857982 -2.1950014743 0 1.2835339763 3.5008708789 0.4063733085 0 3.8345475631 -1.5884896023 2.6411326297 0 -0.5886145973 -3.5011282883 -0.5111672341 0 -1.0347591488 -2.1257866328 -0.0636001357 0 -0.0844790467 -2.2614249126 -1.259846583 0 0.3351758059 -4.2746037485 0.4097187977 0 -1.5379002546 -4.3943720846 -1.2875902562 0 -2.396410007 -1.6227993106 -0.2974070846 0 1.3071878831 -1.7813455501 -1.2112741998 0 -3.1094435435 -0.9006722252 0.5640755775 0 3.118144206 -1.0848507574 0.171087164 0 3.2053324726 0.4021436178 -0.1308773028 0 3.5029679763 -1.3782615572 1.5561775961 0 2.1817720367 1.2457297623 0.2984198313 0 4.298948155 0.9042408671 -0.8348058166 0 2.251005788 2.5992753851 -0.0153849059 0 4.3652412745 2.2692911594 -1.1114104052 0 3.3390513005 3.1216052442 -0.7114109253 0 -0.0673130739 3.1588733579 0.3593305074 0 -0.607374284 2.3671236749 -0.6538861791 0 -0.8779911799 3.7224974268 1.3413807332 0 -1.9828764799 2.1391428776 -0.6711515773 0 -2.2526742267 3.4960083671 1.3034950085 0 -2.809808483 2.7046214696 0.2993281188 0 -0.5566189814 -1.7779860826 0.842672789 0 -0.5154719514 -2.1205399352 -2.2429956474 0 0.9649087448 -3.6269863743 1.0179543089 0 0.9814904067 -4.9381211789 -0.1732273806 0 -0.2660192885 -4.8951036519 1.0808965351 0 -0.9670260974 -5.150045189 -1.8348224731 0 -2.1439657399 -3.8445461725 -2.008789884 0 -2.2098215741 -4.9130998691 -0.5969542888 0 -2.8704628359 -1.8583378258 -1.2433652907 0 3.7832511611 -1.6456109668 -0.4896335834 0 1.336049826 0.8516631104 0.8472538552 0 5.0823486276 0.2354661687 -1.1713320124 0 5.2097320172 2.6693273515 -1.6598564061 0 3.3658288174 4.180765895 -0.9367629949 0 0.0314782967 1.9356514466 -1.4139246211 0 -0.4275260785 4.3320708734 2.1156341981 0 -2.4059762446 1.5165607567 -1.4508578512 0 -2.8857857966 3.9343140114 2.0665726343 0 -3.8763441619 2.5196010736 0.2801107428