Gaussian 16 GINC-HAMILTON24 ALCAMI Optimization Cyfluthrin CONF49 water EM64L-G16RevC.01 20-Sep-2024 Gaussian 16 3-Jul-2019 EM64L-G16RevC.01 47 47 112 112 762 (5D, 7F) 6-311+G(d,p) 135 135 C1[X(C22H18Cl2FNO3)] C1[X(C22H18Cl2FNO3)] RB3LYP 6-311+G(d,p) FOpt #P B3LYP 6-311+G(d,p) EmpiricalDispersion=gd3 scrf=(smd,Solvent=Water) opt freq 416.1447031999997 0 1 AuxInfo=1/0/N:8;9;10;11;12;13;14;15;16;17;18;19;20;21;22;23;24;25;26;27;28;29;1;2;3;7;4;5;6;30;31;32;33;34;35;36;37;38;39;40;41;42;43;44;45;46;47/rA:47nCl0Cl0F0O0O0O0N0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:-2.1993,-.8435,2.4576;-4.3435,.6966,3.6091;3.9868,-3.3473,.5095;.9412,1.9249,.0041;.8282,4.1352,-.2565;1.9609,-2.9002,-1.1305;2.7467,2.6633,-2.7723;-2.0748,2.2262,-.824;-1.8349,1.6233,.5324;-1.1758,2.9385,.1702;-3.3856,2.9064,-1.134;-1.4863,1.5124,-2.0164;-2.8697,1.6194,1.573;.2757,3.0834,-.0436;-3.1006,.625,2.4202;2.3305,1.9294,-.2939;2.8221,.519,-.0997;2.547,2.3607,-1.6806;2.1702,-.5152,-.7631;3.8804,.2531,.7522;2.5475,-1.8261,-.5405;4.2917,-1.0595,.9481;3.6183,-2.0778,.3135;.6411,-2.824,-1.5216;-.3448,-2.3243,-.6798;.3264,-3.3185,-2.7768;-1.6597,-2.3055,-1.121;-.9966,-3.3103,-3.1973;-1.9915,-2.7965,-2.3775;-1.1856,.756,.5231;-1.6099,3.8342,.6007;-3.2663,3.5773,-1.986;-4.1441,2.1676,-1.3983;-3.7675,3.4998,-.3047;-1.2262,2.2251,-2.8011;-.5981,.9294,-1.7801;-2.2241,.8225,-2.4292;-3.5018,2.4943,1.6658;2.8743,2.6163,.361;1.3585,-.298,-1.4468;4.3845,1.0578,1.2703;5.1168,-1.2895,1.6088;-.0964,-1.951,.3059;1.1075,-3.7098,-3.4159;-2.4307,-1.912,-.4716;-1.2446,-3.7018,-4.175;-3.02,-2.7835,-2.7118; g16 /usr/local/gaussian/gaussian16/g16/l1.exe "/temporal/alcami/opt-b3lyp-pople.com-6491480/Gau-1925992.inp" -scrdir="/temporal/alcami/opt-b3lyp-pople.com-6491480/" 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 Cyfluthrin CONF49 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 19 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 34.9688527 34.9688527 18.9984033 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 3 3 1 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 -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 4 4 5 6 6 7 8 8 8 8 9 9 9 10 10 11 11 11 12 12 12 13 13 16 16 16 17 17 19 19 20 20 21 22 22 24 24 25 25 26 26 27 27 28 28 29 15 15 23 14 16 14 21 24 18 9 10 11 12 10 13 30 14 31 32 33 34 35 36 37 15 38 17 18 39 19 20 21 40 22 41 23 23 42 25 26 27 43 28 44 29 45 29 46 47 1.7234 1.7215 1.3364 1.3369 1.4209 1.207 1.3586 1.3787 1.1503 1.5036 1.5179 1.5089 1.5092 1.515 1.4675 1.0835 1.4743 1.0844 1.091 1.0913 1.089 1.0915 1.0884 1.0913 1.3266 1.0834 1.5062 1.4682 1.0939 1.3909 1.3843 1.3822 1.0832 1.3894 1.0817 1.3926 1.3758 1.0818 1.3893 1.3853 1.387 1.0829 1.3882 1.0825 1.3893 1.0822 1.3877 1.082 1.0816 estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2 A1 A2 A3 A4 A5 A6 A7 A8 A9 A10 A11 A12 A13 A14 A15 A16 A17 A18 A19 A20 A21 A22 A23 A24 A25 A26 A27 A28 A29 A30 A31 A32 A33 A34 A35 A36 A37 A38 A39 A40 A41 A42 A43 A44 A45 A46 A47 A48 A49 A50 A51 A52 A53 A54 A55 A56 A57 A58 A59 A60 A61 A62 A63 A64 A65 A66 A67 A68 A69 A70 A71 A72 A73 A74 A75 A76 A77 A78 A79 A80 14 21 9 9 10 10 11 8 8 10 10 13 8 8 9 9 14 8 8 8 32 32 33 8 8 8 35 35 36 9 9 15 4 4 5 1 1 2 4 4 4 17 17 18 16 16 19 17 17 21 17 17 22 6 6 19 20 20 23 3 3 21 6 6 25 24 24 27 24 24 28 25 25 29 26 26 29 27 27 28 4 6 8 8 8 8 8 9 9 9 9 9 10 10 10 10 10 11 11 11 11 11 11 12 12 12 12 12 12 13 13 13 14 14 14 15 15 15 16 16 16 16 16 16 17 17 17 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 29 29 29 16 24 11 12 11 12 12 13 30 13 30 30 14 31 14 31 31 32 33 34 33 34 34 35 36 37 36 37 37 15 38 38 5 10 10 2 13 13 17 18 39 18 39 39 19 20 20 21 40 40 22 41 41 19 23 23 23 42 42 21 22 22 25 26 26 27 43 43 28 44 44 29 45 45 29 46 46 28 47 47 118.4576 119.5282 120.311 117.445 115.9466 120.5603 112.9316 121.883 114.1296 118.5984 115.6073 115.2441 122.2969 114.2368 123.2524 116.6115 111.7425 110.0407 110.389 113.1916 107.6481 107.3352 108.0349 110.6211 113.5813 109.5269 108.1397 107.5741 107.1714 125.2816 118.0348 116.6836 122.2466 113.5602 124.1889 113.4548 124.1621 122.3814 106.8083 110.0726 111.2524 110.4074 110.3999 107.919 118.798 120.5798 120.5987 120.0269 120.2112 119.7584 119.6369 120.5382 119.8238 124.1941 117.0942 118.6899 119.2964 120.8475 119.8408 118.2677 120.0366 121.6958 121.8246 117.0507 121.0758 119.0029 120.8442 120.1527 119.2641 120.0069 120.7284 120.6169 119.3069 120.0735 120.4278 119.3417 120.2288 119.5994 120.158 120.2416 estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|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 7 7 18 18 16 16 8 8 -1 -2 181.5593 estimate D2E/DX2|estimate D2E/DX2 178.1713 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 16 16 14 14 14 24 24 21 21 11 11 12 12 11 11 12 12 9 9 9 10 10 10 12 12 12 9 9 9 10 10 10 11 11 11 13 13 30 30 8 8 10 10 30 30 8 8 9 9 31 31 9 9 38 38 4 4 18 18 39 39 16 16 20 20 16 16 19 19 17 17 40 40 17 17 41 41 6 6 19 19 20 20 42 42 6 6 26 26 6 6 25 25 24 24 43 43 24 24 44 44 25 25 45 45 26 26 46 46 4 4 4 4 4 6 6 6 6 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 9 9 9 9 9 9 9 9 9 9 10 10 10 10 10 10 13 13 13 13 16 16 16 16 16 16 17 17 17 17 17 17 17 17 19 19 19 19 20 20 20 20 21 21 21 21 22 22 22 22 24 24 24 24 24 24 24 24 25 25 25 25 26 26 26 26 27 27 27 27 28 28 28 28 14 14 16 16 16 21 21 24 24 9 9 9 9 10 10 10 10 11 11 11 11 11 11 11 11 11 12 12 12 12 12 12 12 12 12 10 10 10 10 13 13 13 13 13 13 14 14 14 14 14 14 15 15 15 15 17 17 17 17 17 17 19 19 19 19 20 20 20 20 21 21 21 21 22 22 22 22 23 23 23 23 23 23 23 23 25 25 25 25 26 26 26 26 27 27 27 27 28 28 28 28 29 29 29 29 29 29 29 29 5 10 17 18 39 19 23 25 26 13 30 13 30 14 31 14 31 32 33 34 32 33 34 32 33 34 35 36 37 35 36 37 35 36 37 14 31 14 31 15 38 15 38 15 38 4 5 4 5 4 5 1 2 1 2 19 20 19 20 19 20 21 40 21 40 22 41 22 41 6 23 6 23 23 42 23 42 3 22 3 22 3 21 3 21 27 43 27 43 28 44 28 44 29 45 29 45 29 46 29 46 28 47 28 47 27 47 27 47 -4.219 175.0562 177.3888 -62.7308 56.846 -27.8317 153.8954 -47.3475 135.171 2.7199 148.7133 -141.5899 4.4034 -136.0645 3.8568 6.1691 146.0904 159.6972 -81.6266 39.6093 90.5576 -150.7662 -29.5303 -54.5088 64.1674 -174.5967 -148.7375 -26.9203 92.8544 -78.8606 42.9566 162.7314 64.4149 -173.7679 -53.9931 136.7565 -8.7266 -6.3675 -151.8507 141.6722 -38.3413 -147.2265 32.7599 -3.9732 176.0132 -67.0563 112.2026 5.1992 -175.5419 152.1456 -28.5955 0.8437 -179.6563 -179.1428 0.3571 53.4203 -124.8262 -66.2444 115.5092 174.5068 -3.7397 -176.0704 3.2441 2.1757 -178.5098 178.0486 -1.5698 -0.1661 -179.7845 179.2726 -2.4801 -0.045 178.2023 -1.4732 179.9523 178.1479 -0.4266 -0.798 179.2092 -179.1695 0.8376 -178.8469 1.1459 -0.2578 179.735 -178.3942 1.7821 -1.013 179.1633 177.6265 -2.0879 0.1249 -179.5895 0.9439 -179.6452 -179.2311 0.1797 0.847 -179.6255 -179.4407 0.0868 0.006 179.6428 -179.4003 0.2364 -0.913 179.4505 179.5637 -0.0727 estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|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 791 A 762 A 1222 791 3076.8331224681 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= 762 RedAO= T EigKep= 1.12D-06 NBF= 762 NBsUse= 760 1.00D-06 EigRej= 6.56D-07 NBFU= 760 Berny optimization. local minimum Step number 39 out of a maximum of 250 All quantities printed in internal units (Hartrees-Bohrs-Radians) 0.00092 0.00181 0.00243 0.00393 0.00663 0.00831 0.01620 0.01874 0.01926 0.02073 0.02116 0.02187 0.02196 0.02238 0.02242 0.02248 0.02254 0.02258 0.02267 0.02278 0.02295 0.02303 0.02310 0.02331 0.02351 0.02410 0.02471 0.02494 0.02554 0.02995 0.03207 0.03917 0.04297 0.04762 0.05072 0.05502 0.05614 0.05916 0.05939 0.05964 0.06638 0.07063 0.08521 0.09619 0.09984 0.10796 0.11672 0.12872 0.15538 0.15631 0.15689 0.15862 0.15948 0.15978 0.15997 0.16000 0.16004 0.16015 0.16038 0.16073 0.16092 0.16239 0.16370 0.16784 0.17559 0.18375 0.19874 0.21280 0.21770 0.21993 0.22347 0.22636 0.23086 0.23488 0.23639 0.24084 0.24512 0.24828 0.24885 0.25058 0.25197 0.26420 0.27590 0.29084 0.30006 0.30209 0.31651 0.31946 0.32332 0.32807 0.33763 0.34353 0.34647 0.34676 0.34707 0.34742 0.35019 0.35275 0.35459 0.35550 0.35629 0.35696 0.35732 0.35771 0.35776 0.35801 0.35822 0.35844 0.36061 0.36212 0.36954 0.38922 0.41476 0.41694 0.43242 0.43284 0.43769 0.46077 0.46932 0.47471 0.47720 0.47878 0.47969 0.48267 0.48817 0.49138 0.51412 0.54816 0.58083 0.58370 0.65549 0.67996 1.01614 1.17722 1.34843 -2.55526702e-09 R1 R2 R3 R4 R5 R6 R7 R8 R9 R10 R11 R12 R13 R14 R15 R16 R17 R18 R19 R20 R21 R22 R23 R24 R25 R26 R27 R28 R29 R30 R31 R32 R33 R34 R35 R36 R37 R38 R39 R40 R41 R42 R43 R44 R45 R46 R47 R48 R49 A1 A2 A3 A4 A5 A6 A7 A8 A9 A10 A11 A12 A13 A14 A15 A16 A17 A18 A19 A20 A21 A22 A23 A24 A25 A26 A27 A28 A29 A30 A31 A32 A33 A34 A35 A36 A37 A38 A39 A40 A41 A42 A43 A44 A45 A46 A47 A48 A49 A50 A51 A52 A53 A54 A55 A56 A57 A58 A59 A60 A61 A62 A63 A64 A65 A66 A67 A68 A69 A70 A71 A72 A73 A74 A75 A76 A77 A78 A79 A80 A81 A82 D1 D2 D3 D4 D5 D6 D7 D8 D9 D10 D11 D12 D13 D14 D15 D16 D17 D18 D19 D20 D21 D22 D23 D24 D25 D26 D27 D28 D29 D30 D31 D32 D33 D34 D35 D36 D37 D38 D39 D40 D41 D42 D43 D44 D45 D46 D47 D48 D49 D50 D51 D52 D53 D54 D55 D56 D57 D58 D59 D60 D61 D62 D63 D64 D65 D66 D67 D68 D69 D70 D71 D72 D73 D74 D75 D76 D77 D78 D79 D80 D81 D82 D83 D84 D85 D86 D87 D88 D89 D90 D91 D92 D93 D94 D95 D96 D97 D98 D99 D100 D101 D102 D103 D104 D105 D106 D107 D108 D109 3.30824 3.31315 2.56478 2.55706 2.72857 2.30060 2.60135 2.65491 2.18088 2.85386 2.90415 2.86532 2.86565 2.90241 2.77993 2.04472 2.78661 2.04599 2.06670 2.06819 2.06131 2.06766 2.05566 2.06606 2.51604 2.04828 2.86323 2.78392 2.06312 2.63612 2.62979 2.62157 2.04065 2.63922 2.04653 2.63939 2.61071 2.04649 2.63012 2.62289 2.63187 2.04633 2.63884 2.04701 2.63858 2.04794 2.63540 2.04819 2.04782 2.08021 2.03699 2.09906 2.05500 2.01716 2.10001 1.97210 2.14222 1.99397 2.07656 1.98741 2.01190 2.13677 2.00169 2.12587 2.04935 1.95598 1.91399 1.91727 1.97192 1.88490 1.88218 1.89130 1.92279 1.96842 1.90807 1.89170 1.88740 1.88341 2.18559 2.06426 2.03334 2.13728 1.96759 2.17825 1.98024 2.16982 2.13307 1.85553 1.91358 1.92566 1.94081 1.94109 1.88740 2.06213 2.11462 2.10621 2.10009 2.09995 2.08268 2.08245 2.10482 2.09588 2.15638 2.06184 2.06492 2.08257 2.12098 2.07936 2.06627 2.08762 2.12922 2.09018 2.06735 2.12555 2.07598 2.08750 2.11951 2.07286 2.08905 2.12122 2.09793 2.08699 2.09827 2.10025 2.08526 2.09761 2.09373 2.09417 2.09528 3.16233 3.11632 -0.10697 3.02324 3.05102 -1.13254 0.94436 -0.35062 2.80243 -1.16291 1.99417 0.05655 2.63629 -2.47209 0.10765 -2.40804 0.06060 0.05994 2.52858 2.76782 -1.44638 0.66770 1.55691 -2.65728 -0.54320 -0.95985 1.10914 -3.05997 -2.63245 -0.51630 1.57897 -1.40466 0.71148 2.80676 1.07928 -3.08776 -0.99248 2.36167 -0.17011 -0.10180 -2.63359 2.76618 -0.37678 -2.26269 0.87753 0.19168 -2.95128 -1.07565 2.05425 0.16245 -2.99083 2.72339 -0.42989 0.03142 -3.12200 -3.10882 0.02094 0.76599 -2.35313 -1.31593 1.84814 2.86267 -0.25645 -3.08389 0.02464 0.03535 -3.13931 3.11769 -0.01503 -0.00087 -3.13359 3.10757 -0.04549 -0.00128 3.12884 -0.02199 -3.13849 3.11078 -0.00572 -0.00151 -3.12979 -3.13226 0.02264 -3.11698 0.01115 0.00012 3.12825 -3.13584 0.02683 -0.01027 -3.13078 3.12610 -0.02630 0.00033 3.13111 0.01071 -3.12673 3.13082 -0.00662 0.00923 3.13814 -3.12134 0.00757 -0.00139 -3.13676 3.13602 0.00065 -0.00874 3.12663 -3.13756 -0.00219 0.00000 -0.00000 0.00000 0.00000 0.00001 0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00001 0.00000 0.00000 -0.00000 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 0.00001 -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 -0.00001 -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 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 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 0.00001 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 0.00001 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 0.00001 0.00000 0.00000 0.00001 -0.00000 0.00000 0.00000 -0.00000 0.00001 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00001 0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00001 0.00000 -0.00001 0.00001 0.00001 -0.00000 -0.00000 0.00001 -0.00001 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 0.00001 -0.00001 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00001 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 -0.00003 -0.00004 0.00003 0.00003 0.00003 -0.00002 -0.00001 0.00004 0.00004 -0.00001 -0.00001 -0.00001 -0.00000 0.00002 0.00001 0.00002 0.00001 -0.00002 -0.00002 -0.00002 -0.00002 -0.00002 -0.00002 -0.00002 -0.00002 -0.00002 -0.00007 -0.00007 -0.00007 -0.00007 -0.00007 -0.00007 -0.00007 -0.00007 -0.00007 0.00002 0.00001 0.00001 0.00000 -0.00009 -0.00009 -0.00010 -0.00011 -0.00009 -0.00010 -0.00002 -0.00002 -0.00001 -0.00002 -0.00001 -0.00001 0.00000 -0.00000 0.00001 0.00000 0.00006 0.00005 0.00006 0.00005 0.00006 0.00005 -0.00001 0.00000 -0.00000 0.00001 0.00001 0.00001 0.00000 0.00001 0.00001 -0.00000 -0.00000 -0.00001 -0.00000 0.00000 -0.00001 -0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00001 -0.00001 -0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00001 -0.00001 -0.00000 -0.00000 0.00001 0.00000 -0.00002 0.00000 0.00000 0.00001 0.00001 0.00001 -0.00000 -0.00003 0.00001 -0.00000 0.00001 -0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00001 -0.00000 0.00001 -0.00001 0.00000 -0.00000 0.00001 0.00000 0.00001 -0.00000 0.00000 0.00001 -0.00000 -0.00000 0.00000 0.00001 0.00000 0.00001 0.00000 -0.00000 0.00000 0.00000 0.00001 0.00002 -0.00001 -0.00000 0.00001 0.00003 -0.00001 -0.00001 0.00000 -0.00000 0.00002 -0.00001 -0.00005 0.00002 -0.00000 0.00002 0.00000 -0.00001 0.00001 0.00000 -0.00000 -0.00000 0.00000 0.00001 0.00001 -0.00001 0.00000 -0.00000 -0.00002 -0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 0.00001 -0.00001 0.00000 -0.00000 -0.00001 -0.00000 0.00000 0.00002 -0.00000 -0.00002 0.00002 0.00000 0.00001 -0.00001 0.00001 -0.00000 0.00001 -0.00000 0.00002 -0.00001 -0.00001 0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00001 0.00001 -0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00001 -0.00001 -0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00001 -0.00000 -0.00005 -0.00009 0.00005 0.00005 0.00003 0.00029 0.00026 -0.00025 -0.00026 0.00000 -0.00004 0.00003 -0.00000 0.00000 -0.00003 0.00004 0.00000 0.00005 0.00005 0.00006 0.00007 0.00007 0.00008 0.00003 0.00002 0.00003 0.00006 0.00008 0.00006 0.00005 0.00007 0.00006 0.00009 0.00011 0.00010 0.00006 0.00002 0.00005 0.00000 -0.00010 -0.00011 -0.00010 -0.00010 -0.00007 -0.00007 -0.00006 -0.00010 -0.00007 -0.00011 -0.00003 -0.00007 0.00001 -0.00005 0.00001 -0.00004 0.00002 0.00003 0.00003 0.00005 0.00002 0.00004 -0.00000 -0.00002 -0.00002 -0.00003 -0.00000 -0.00003 0.00001 -0.00002 -0.00002 0.00001 -0.00001 0.00002 -0.00000 -0.00001 0.00003 0.00002 0.00002 0.00003 -0.00001 0.00000 0.00001 -0.00001 0.00002 0.00000 -0.00000 0.00000 0.00001 0.00001 0.00000 -0.00000 -0.00001 -0.00001 -0.00000 0.00000 -0.00001 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00001 0.00000 -0.00001 -0.00000 0.00001 0.00000 0.00001 0.00000 0.00001 -0.00001 0.00000 0.00000 0.00002 0.00000 -0.00002 0.00000 0.00000 0.00001 0.00001 0.00000 -0.00000 -0.00003 0.00001 -0.00000 0.00001 -0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00001 -0.00000 0.00001 -0.00001 -0.00000 0.00000 0.00001 -0.00000 0.00001 -0.00000 0.00000 0.00001 -0.00001 -0.00001 0.00000 0.00001 0.00000 0.00001 0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00002 -0.00001 -0.00000 0.00001 0.00003 -0.00001 -0.00003 0.00000 -0.00001 0.00003 0.00000 -0.00005 0.00001 0.00001 0.00001 0.00000 -0.00001 0.00001 0.00000 -0.00000 -0.00000 0.00000 0.00001 0.00001 -0.00000 -0.00000 -0.00000 -0.00001 0.00001 -0.00001 0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00001 0.00000 -0.00000 -0.00001 -0.00000 -0.00000 0.00002 -0.00000 -0.00002 0.00002 0.00000 0.00001 -0.00001 0.00001 -0.00000 0.00001 -0.00000 0.00002 -0.00001 -0.00001 0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00002 0.00002 0.00000 0.00000 -0.00001 0.00001 -0.00000 0.00001 -0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 0.00001 -0.00000 -0.00009 -0.00013 0.00009 0.00008 0.00006 0.00026 0.00024 -0.00021 -0.00022 -0.00001 -0.00004 0.00003 -0.00001 0.00002 -0.00003 0.00006 0.00001 0.00004 0.00003 0.00004 0.00005 0.00005 0.00006 0.00000 0.00000 0.00001 -0.00000 0.00001 -0.00000 -0.00001 -0.00000 -0.00001 0.00003 0.00004 0.00003 0.00008 0.00004 0.00005 0.00001 -0.00019 -0.00020 -0.00020 -0.00021 -0.00016 -0.00016 -0.00008 -0.00012 -0.00009 -0.00013 -0.00004 -0.00008 0.00001 -0.00005 0.00002 -0.00004 0.00007 0.00008 0.00009 0.00010 0.00008 0.00009 -0.00001 -0.00001 -0.00002 -0.00002 0.00001 -0.00002 0.00002 -0.00001 -0.00001 0.00001 -0.00001 0.00001 -0.00000 -0.00001 0.00002 0.00002 0.00001 0.00003 -0.00001 0.00001 0.00001 -0.00001 0.00001 -0.00000 -0.00000 0.00000 0.00001 0.00001 0.00000 0.00000 -0.00001 -0.00001 -0.00000 0.00000 -0.00001 -0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00001 -0.00000 0.00000 0.00000 0.00001 0.00000 3.30825 3.31314 2.56478 2.55706 2.72859 2.30060 2.60133 2.65491 2.18088 2.85388 2.90416 2.86532 2.86564 2.90238 2.77994 2.04472 2.78662 2.04599 2.06670 2.06820 2.06131 2.06765 2.05566 2.06606 2.51604 2.04828 2.86323 2.78393 2.06312 2.63613 2.62978 2.62157 2.04065 2.63922 2.04653 2.63940 2.61070 2.04649 2.63013 2.62288 2.63186 2.04634 2.63884 2.04701 2.63858 2.04794 2.63540 2.04819 2.04782 2.08020 2.03701 2.09905 2.05499 2.01717 2.10003 1.97209 2.14220 1.99398 2.07655 1.98744 2.01190 2.13672 2.00171 2.12588 2.04936 1.95599 1.91398 1.91728 1.97192 1.88490 1.88217 1.89130 1.92280 1.96843 1.90806 1.89170 1.88739 1.88340 2.18559 2.06425 2.03334 2.13728 1.96760 2.17825 1.98024 2.16981 2.13307 1.85553 1.91356 1.92565 1.94081 1.94111 1.88740 2.06211 2.11464 2.10621 2.10009 2.09994 2.08269 2.08245 2.10483 2.09587 2.15640 2.06183 2.06490 2.08258 2.12098 2.07936 2.06626 2.08762 2.12922 2.09016 2.06737 2.12555 2.07598 2.08749 2.11952 2.07286 2.08906 2.12121 2.09792 2.08699 2.09826 2.10025 2.08526 2.09761 2.09373 2.09416 2.09528 3.16233 3.11632 -0.10706 3.02311 3.05110 -1.13247 0.94442 -0.35035 2.80267 -1.16313 1.99395 0.05655 2.63625 -2.47206 0.10764 -2.40802 0.06057 0.06000 2.52859 2.76785 -1.44635 0.66774 1.55697 -2.65723 -0.54314 -0.95985 1.10914 -3.05996 -2.63246 -0.51629 1.57897 -1.40468 0.71148 2.80675 1.07930 -3.08772 -0.99246 2.36175 -0.17008 -0.10175 -2.63358 2.76599 -0.37698 -2.26288 0.87733 0.19153 -2.95145 -1.07573 2.05413 0.16236 -2.99096 2.72335 -0.42997 0.03143 -3.12205 -3.10880 0.02090 0.76606 -2.35305 -1.31584 1.84824 2.86275 -0.25636 -3.08390 0.02463 0.03533 -3.13933 3.11770 -0.01505 -0.00085 -3.13359 3.10756 -0.04548 -0.00129 3.12886 -0.02199 -3.13850 3.11080 -0.00571 -0.00150 -3.12977 -3.13227 0.02265 -3.11697 0.01114 0.00013 3.12824 -3.13584 0.02683 -0.01026 -3.13077 3.12611 -0.02630 0.00032 3.13110 0.01071 -3.12673 3.13081 -0.00662 0.00923 3.13814 -3.12134 0.00757 -0.00139 -3.13676 3.13602 0.00065 -0.00873 3.12663 -3.13755 -0.00219 |Maximum Force|RMS Force|Maximum Displacement|RMS Displacement| 0.000013 0.000002 0.000797 0.000187 0.000450 0.000300 0.001800 0.001200 YES YES YES YES -2.599539e-09 Optimization completed. -- Stationary point found. R1 R2 R3 R4 R5 R6 R7 R8 R9 R10 R11 R12 R13 R14 R15 R16 R17 R18 R19 R20 R21 R22 R23 R24 R25 R26 R27 R28 R29 R30 R31 R32 R33 R34 R35 R36 R37 R38 R39 R40 R41 R42 R43 R44 R45 R46 R47 R48 R49 1 2 3 4 4 5 6 6 7 8 8 8 8 9 9 9 10 10 11 11 11 12 12 12 13 13 16 16 16 17 17 19 19 20 20 21 22 22 24 24 25 25 26 26 27 27 28 28 29 15 15 23 14 16 14 21 24 18 9 10 11 12 10 13 30 14 31 32 33 34 35 36 37 15 38 17 18 39 19 20 21 40 22 41 23 23 42 25 26 27 43 28 44 29 45 29 46 47 1.7506 1.7532 1.3572 1.3531 1.4439 1.2174 1.3766 1.4049 1.1541 1.5102 1.5368 1.5163 1.5164 1.5359 1.4711 1.082 1.4746 1.0827 1.0937 1.0944 1.0908 1.0942 1.0878 1.0933 1.3314 1.0839 1.5152 1.4732 1.0918 1.395 1.3916 1.3873 1.0799 1.3966 1.083 1.3967 1.3815 1.083 1.3918 1.388 1.3927 1.0829 1.3964 1.0832 1.3963 1.0837 1.3946 1.0839 1.0837 -DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0 A1 A2 A3 A4 A5 A6 A7 A8 A9 A10 A11 A12 A13 A14 A15 A16 A17 A18 A19 A20 A21 A22 A23 A24 A25 A26 A27 A28 A29 A30 A31 A32 A33 A34 A35 A36 A37 A38 A39 A40 A41 A42 A43 A44 A45 A46 A47 A48 A49 A50 A51 A52 A53 A54 A55 A56 A57 A58 A59 A60 A61 A62 A63 A64 A65 A66 A67 A68 A69 A70 A71 A72 A73 A74 A75 A76 A77 A78 A79 A80 14 21 9 9 10 10 11 8 8 10 10 13 8 8 9 9 14 8 8 8 32 32 33 8 8 8 35 35 36 9 9 15 4 4 5 1 1 2 4 4 4 17 17 18 16 16 19 17 17 21 17 17 22 6 6 19 20 20 23 3 3 21 6 6 25 24 24 27 24 24 28 25 25 29 26 26 29 27 27 28 4 6 8 8 8 8 8 9 9 9 9 9 10 10 10 10 10 11 11 11 11 11 11 12 12 12 12 12 12 13 13 13 14 14 14 15 15 15 16 16 16 16 16 16 17 17 17 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 29 29 29 16 24 11 12 11 12 12 13 30 13 30 30 14 31 14 31 31 32 33 34 33 34 34 35 36 37 36 37 37 15 38 38 5 10 10 2 13 13 17 18 39 18 39 39 19 20 20 21 40 40 22 41 41 19 23 23 23 42 42 21 22 22 25 26 26 27 43 43 28 44 44 29 45 45 29 46 46 28 47 47 119.187 116.7107 120.2671 117.7427 115.5748 120.3215 112.9929 122.7402 114.2462 118.9782 113.8703 115.2731 122.428 114.6887 121.8032 117.4192 112.0696 109.6634 109.8514 112.9825 107.997 107.8408 108.3636 110.1679 112.7819 109.3241 108.3864 108.1398 107.9114 125.2249 118.2736 116.5015 122.4571 112.7349 124.8045 113.4594 124.3217 122.2159 106.3141 109.6398 110.332 111.2001 111.2164 108.1402 118.1515 121.1589 120.677 120.3262 120.3183 119.3288 119.3158 120.5974 120.0849 123.5512 118.1347 118.3109 119.3227 121.5235 119.1385 118.3885 119.6118 121.9954 119.7583 118.4504 121.7851 118.9446 119.6049 121.4391 118.766 119.694 121.5369 120.2023 119.5755 120.2218 120.3354 119.4766 120.184 119.9617 119.9868 120.0505 -DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-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 7 18 16 8 -1 181.1879 -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 16 16 14 14 14 24 24 21 21 11 11 12 12 11 11 12 12 9 9 9 10 10 10 12 12 12 9 9 9 10 10 10 11 11 11 13 13 30 30 8 8 10 10 30 30 8 8 9 9 31 31 9 9 38 38 4 4 18 18 39 39 16 16 20 20 16 16 19 19 17 17 40 40 17 17 41 41 6 6 19 19 20 20 42 42 6 6 26 26 6 6 25 25 24 24 43 43 24 24 44 44 25 25 45 45 26 26 46 4 4 4 4 4 6 6 6 6 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 9 9 9 9 9 9 9 9 9 9 10 10 10 10 10 10 13 13 13 13 16 16 16 16 16 16 17 17 17 17 17 17 17 17 19 19 19 19 20 20 20 20 21 21 21 21 22 22 22 22 24 24 24 24 24 24 24 24 25 25 25 25 26 26 26 26 27 27 27 27 28 28 28 14 14 16 16 16 21 21 24 24 9 9 9 9 10 10 10 10 11 11 11 11 11 11 11 11 11 12 12 12 12 12 12 12 12 12 10 10 10 10 13 13 13 13 13 13 14 14 14 14 14 14 15 15 15 15 17 17 17 17 17 17 19 19 19 19 20 20 20 20 21 21 21 21 22 22 22 22 23 23 23 23 23 23 23 23 25 25 25 25 26 26 26 26 27 27 27 27 28 28 28 28 29 29 29 29 29 29 29 5 10 17 18 39 19 23 25 26 13 30 13 30 14 31 14 31 32 33 34 32 33 34 32 33 34 35 36 37 35 36 37 35 36 37 14 31 14 31 15 38 15 38 15 38 4 5 4 5 4 5 1 2 1 2 19 20 19 20 19 20 21 40 21 40 22 41 22 41 6 23 6 23 23 42 23 42 3 22 3 22 3 21 3 21 27 43 27 43 28 44 28 44 29 45 29 45 29 46 29 46 28 47 28 47 27 47 27 -6.1291 173.219 174.8105 -64.8899 54.1078 -20.0888 160.5672 -66.6299 114.2576 3.2403 151.0481 -141.64 6.1678 -137.9705 3.4721 3.4341 144.8767 158.5842 -82.8715 38.2564 89.2046 -152.251 -31.1231 -54.9956 63.5488 -175.3233 -150.8283 -29.582 90.4684 -80.4813 40.7651 160.8155 61.8381 -176.9155 -56.8651 135.3137 -9.7467 -5.833 -150.8933 158.4906 -21.5881 -129.6424 50.2789 10.9827 -169.096 -61.6302 117.6998 9.3077 -171.3622 156.0388 -24.6311 1.8003 -178.8775 -178.1223 1.2 43.8879 -134.8246 -75.3971 105.8904 164.019 -14.6934 -176.6938 1.4118 2.0252 -179.8693 178.6304 -0.8611 -0.0496 -179.5412 178.0509 -2.6062 -0.0733 179.2696 -1.2599 -179.822 178.2344 -0.3278 -0.0863 -179.3238 -179.4653 1.2972 -178.5899 0.6386 0.0069 179.2354 -179.6705 1.5373 -0.5885 -179.3808 179.1125 -1.5071 0.019 179.3993 0.6137 -179.1484 179.3829 -0.3792 0.5286 179.8021 -178.8398 0.4337 -0.0796 -179.7233 179.6809 0.0372 -0.5006 179.1428 -179.7689 -DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-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 -0.0580946666 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 0 416.1447031999997 AuxInfo=1/0/N:8;9;10;11;12;13;14;15;16;17;18;19;20;21;22;23;24;25;26;27;28;29;1;2;3;7;4;5;6;30;31;32;33;34;35;36;37;38;39;40;41;42;43;44;45;46;47/rA:47nCl0Cl0F0O0O0O0N0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:-2.1993,-.8435,2.4576;-4.3435,.6966,3.6091;3.9868,-3.3473,.5095;.9412,1.9249,.0041;.8282,4.1352,-.2565;1.9609,-2.9002,-1.1305;2.7467,2.6633,-2.7723;-2.0748,2.2262,-.824;-1.8349,1.6233,.5324;-1.1758,2.9385,.1702;-3.3856,2.9064,-1.134;-1.4863,1.5124,-2.0164;-2.8697,1.6194,1.573;.2757,3.0834,-.0436;-3.1006,.625,2.4202;2.3305,1.9294,-.2939;2.8221,.519,-.0997;2.547,2.3607,-1.6806;2.1701,-.5152,-.7631;3.8804,.2531,.7522;2.5475,-1.8261,-.5405;4.2917,-1.0595,.9481;3.6183,-2.0778,.3135;.6411,-2.824,-1.5216;-.3448,-2.3243,-.6798;.3264,-3.3185,-2.7768;-1.6597,-2.3055,-1.121;-.9966,-3.3103,-3.1973;-1.9915,-2.7965,-2.3775;-1.1856,.756,.5231;-1.6099,3.8342,.6007;-3.2663,3.5773,-1.986;-4.1441,2.1676,-1.3983;-3.7675,3.4998,-.3047;-1.2262,2.2251,-2.8011;-.5981,.9294,-1.7801;-2.2241,.8225,-2.4292;-3.5018,2.4943,1.6658;2.8743,2.6163,.361;1.3585,-.298,-1.4468;4.3845,1.0578,1.2703;5.1168,-1.2895,1.6088;-.0964,-1.951,.3059;1.1075,-3.7098,-3.4159;-2.4307,-1.912,-.4716;-1.2446,-3.7018,-4.175;-3.02,-2.7835,-2.7118; 0.000000 2.880158 0.000000 6.952135 9.764955 0.000000 4.852515 6.514056 6.109628 0.000000 6.428070 7.315299 8.157917 2.228461 0.000000 5.866142 8.668655 2.644549 5.060483 7.179361 0.000000 8.007074 9.739689 6.959556 3.393137 3.489436 5.853678 0.000000 4.495303 5.209542 8.341770 3.142108 3.520494 6.531484 5.218639 0.000000 3.150345 4.076547 7.655033 2.841919 3.744814 6.134746 5.743998 1.503640 0.000000 4.536914 5.185253 8.141162 2.352970 2.372784 6.754277 4.911195 1.517922 1.514984 0.000000 5.326240 5.319615 9.806190 4.580335 4.476145 7.893067 6.352021 1.508921 2.613034 2.566165 0.000000 5.106435 6.362043 7.742839 3.185130 3.915709 5.669112 4.451336 1.509151 2.574921 2.628894 2.515733 0.000000 2.701446 2.677619 8.532877 4.132485 4.832254 7.146261 7.177390 2.597211 1.467507 2.564595 3.041428 3.848186 0.000000 5.272825 6.354222 7.445309 1.336904 1.206978 6.310689 3.705174 2.620875 2.630224 1.474282 3.824326 3.076472 3.827543 0.000000 1.723399 1.721477 8.346299 4.885028 5.909485 7.117044 8.081329 3.760457 2.482449 3.757644 4.233029 4.803830 1.326644 4.849086 0.000000 5.981582 7.829159 5.588590 1.420923 2.669076 4.915388 2.618031 4.447018 4.257547 3.678002 5.859509 4.208153 5.533827 2.369962 6.210056 0.000000 5.797557 8.070532 4.083611 2.350620 4.132485 3.673540 3.427288 5.236355 4.827723 4.680837 6.730914 4.819032 6.033706 3.614405 6.437402 1.506199 0.000000 7.065394 8.844763 6.280965 2.367869 2.851547 5.321921 1.150320 4.702503 4.964090 4.197460 5.982693 4.135229 6.362080 2.891580 7.192014 1.468241 2.442665 0.000000 5.438136 7.938037 3.597303 2.837790 4.866578 2.422173 3.804218 5.053577 4.721427 4.898384 6.535350 4.364801 5.950921 4.129987 6.262123 2.494345 1.390929 3.042111 0.000000 6.408910 8.717291 3.610146 3.463197 5.040282 4.143921 4.417733 6.468569 5.881342 5.754581 7.961933 6.168665 6.935710 4.651673 7.187136 2.511292 1.384346 3.484003 2.410677 0.000000 5.699732 8.430280 2.342666 4.116690 6.210798 1.358588 5.017507 6.153651 5.679367 6.088468 7.612501 5.440176 6.759005 5.432478 6.831896 3.769838 2.401929 4.339240 1.382199 2.787626 0.000000 6.667722 9.204951 2.349363 4.585143 6.358583 3.625056 5.485161 7.380257 6.701102 6.817770 8.888383 6.984805 7.671492 5.854503 7.723357 3.784454 2.397701 4.653069 2.779425 1.389368 2.417797 0.000000 6.321859 9.052566 1.336376 4.825396 6.834542 2.347044 5.723611 7.227042 6.594212 6.940248 8.717336 6.661471 7.572946 6.159454 7.542350 4.252626 2.747342 4.982368 2.387056 2.386215 1.392627 1.375840 0.000000 5.274859 7.972721 3.948788 4.996959 7.075684 1.378656 6.009023 5.776378 5.488873 6.274454 7.014319 4.855380 6.453266 6.100444 6.436821 5.191882 4.237233 5.526178 2.871214 5.013151 2.364889 4.747578 3.576112 0.000000 3.933920 6.596256 4.606896 4.491904 6.578754 2.418843 6.229928 4.870375 4.390187 5.395354 6.067324 4.220160 5.196399 5.480269 5.089472 5.039820 4.295371 5.595817 3.099147 5.152265 2.938189 5.074104 4.093152 1.389283 0.000000 6.316943 8.871772 4.919247 5.966931 7.884195 2.357320 6.452894 6.349965 6.327981 7.077460 7.431397 5.215497 7.315545 6.961135 7.369081 6.141741 5.302979 6.195622 3.913159 6.151497 3.487320 5.890766 4.682560 1.385322 2.415797 0.000000 3.903237 6.212052 5.968760 5.091780 6.958351 3.669058 6.843359 4.560291 4.266155 5.422194 5.490177 3.925296 4.911808 5.826374 4.817033 5.877005 5.395089 6.307319 4.242706 6.383359 4.273979 6.422753 5.474202 2.392189 1.387031 2.777061 0.000000 6.285676 8.578113 6.210952 6.435138 8.210529 3.631363 7.062358 6.119400 6.241315 7.100616 6.972124 4.989246 7.110901 7.241835 7.174186 6.852234 6.232261 6.856934 4.875060 7.216746 4.671401 7.086333 5.928134 2.393021 2.781133 1.388241 2.400049 0.000000 5.218835 7.319418 6.661654 6.046822 7.777989 4.145710 7.239860 5.258077 5.294080 6.328184 6.001016 4.353415 5.989769 6.720179 5.996221 6.734572 6.273078 6.905074 5.012953 7.319420 4.991836 7.318096 6.263240 2.768318 2.411785 2.409193 1.389268 1.387691 0.000000 2.707110 4.415792 6.602365 2.481757 4.010277 5.099252 5.473647 2.183301 1.083459 2.210861 3.494267 2.666738 2.164172 2.805994 2.698750 3.795729 4.062805 4.622138 3.812025 5.096097 4.662077 5.785975 5.581431 4.509279 3.412066 5.456792 3.507169 5.514659 4.656505 0.000000 5.067206 5.134981 9.105199 3.241765 2.601825 7.816553 5.632717 2.198083 2.223292 1.084439 2.650126 3.500671 2.727248 2.129319 3.978953 4.467102 5.578865 4.965402 5.921603 6.556698 7.115125 7.674426 7.897327 7.341758 6.416134 8.143489 6.376653 8.114400 7.278791 3.108247 0.000000 6.358306 6.384714 10.333681 4.939015 4.479651 8.367372 6.132711 2.143685 3.494213 3.070436 1.090992 2.726358 4.081313 4.069750 5.306457 6.074785 7.069692 5.947146 6.913681 8.344085 8.067631 9.339787 9.201412 7.513935 6.713418 7.815621 6.159239 7.352334 6.511780 4.310981 3.082329 0.000000 5.264729 5.222844 10.008278 5.280713 5.467984 7.938841 7.043960 2.148304 3.058862 3.444618 1.091316 2.806307 3.279198 4.712629 4.248487 6.572449 7.275515 6.699905 6.889918 8.525441 7.839869 9.331787 9.011629 6.915851 5.926914 7.209890 5.124238 6.568878 5.498635 3.799612 3.632594 1.761577 0.000000 5.380883 4.848482 10.376622 4.974630 4.639604 8.628769 7.015940 2.181028 2.820780 2.693944 1.088972 3.476119 2.804920 4.072917 4.016766 6.296937 7.235342 6.562297 7.182315 8.375445 8.264381 9.343778 9.275867 7.804237 6.765769 8.328249 6.229805 7.900756 6.862524 3.857403 2.363600 1.756165 1.764281 0.000000 6.165889 7.290112 8.317865 3.557646 3.787332 6.262333 3.997098 2.151570 3.441703 3.056178 2.811845 1.091523 4.711774 3.255243 5.773763 4.361588 5.157255 3.938427 4.816405 6.526272 5.980245 7.435833 7.189233 5.533249 5.096440 5.756907 4.851459 5.554251 5.097181 3.634620 3.782678 2.579729 3.238168 3.783577 0.000000 4.864736 6.567029 6.674894 2.558063 3.825225 4.651508 3.895984 2.185462 2.712709 2.858927 3.477863 1.088365 4.108400 2.901505 4.898733 3.432975 3.832792 3.456931 3.283987 5.189140 4.361725 5.942118 5.586156 3.961129 3.444067 4.460141 3.467837 4.488030 4.022547 2.383263 3.889607 3.764659 3.775309 4.339167 1.765129 0.000000 5.163090 6.400730 8.037312 4.141931 5.001139 5.749699 5.311861 2.137612 3.092626 3.511902 2.714616 1.091281 4.131493 4.129469 4.931944 5.150666 5.566282 5.068600 4.886201 6.907315 5.775000 7.576506 7.075904 4.725414 4.061320 4.875763 3.437138 4.379045 3.626773 3.130343 4.316010 2.978525 2.560978 3.750178 1.761145 1.754061 0.000000 3.669415 2.777912 9.567701 4.777638 5.013666 8.170718 7.666119 2.882247 2.195873 2.800823 2.832359 4.311010 1.083398 4.187920 2.055382 6.178645 6.856498 6.914114 6.864982 7.768857 7.754251 8.595540 8.569097 7.457000 6.219945 8.257111 5.847870 7.976130 6.828035 3.113235 2.551324 3.816284 3.147679 2.228069 5.020415 4.770158 4.603985 0.000000 6.489078 8.144464 6.068349 2.083862 2.622021 5.787130 3.136251 5.103980 4.815780 4.067375 6.442492 5.087791 5.954516 2.671086 6.626113 1.093904 2.147998 2.083428 3.400880 2.598116 4.544781 3.983114 4.752949 6.174834 5.987974 7.180517 6.854004 7.922781 7.776510 4.468823 4.652791 6.643750 7.249491 6.733265 5.192921 4.414499 6.082571 6.509418 0.000000 5.310403 7.685355 4.475778 2.687129 4.620767 2.689604 3.528968 4.306687 4.219810 4.417287 5.733480 3.419849 5.538332 3.817839 5.974055 2.689811 2.150378 2.921637 1.083160 3.391006 2.137732 3.862406 3.372340 2.626922 2.755950 3.457941 3.639424 4.205321 4.281488 3.385884 5.484399 6.057909 6.030026 6.481053 3.857633 2.333752 3.880251 6.411588 3.749565 0.000000 6.954959 9.043147 4.487964 3.769831 4.944607 5.225212 4.647823 6.890152 6.288462 5.971944 8.340997 6.743517 7.282186 4.765688 7.585275 2.724955 2.146661 3.712330 3.392958 1.081678 3.869155 2.143644 3.366603 6.072534 6.132488 7.211003 7.318558 8.245933 8.295459 5.628126 6.639977 8.688290 9.005026 8.654392 7.029847 5.843604 7.577311 8.025854 2.352981 4.286823 0.000000 7.378713 9.871343 2.592301 5.508497 7.162354 4.478579 6.358915 8.366503 7.613746 7.716373 9.870118 8.037020 8.499829 6.729740 8.476412 4.663174 3.384557 5.545050 3.861121 2.154541 3.392468 1.081816 2.131783 5.673280 6.011459 6.804282 7.375935 8.034676 8.287901 6.714445 8.515681 10.338530 10.332439 10.272748 8.487250 7.004911 8.640336 9.412847 4.673476 4.944079 2.482058 0.000000 3.206091 5.996610 4.320095 4.023761 6.181700 2.682588 6.233027 4.758157 3.981191 5.009087 6.040409 4.395491 4.695153 5.060288 4.486802 4.615970 3.844913 5.433666 2.888182 4.568609 2.778881 4.523525 3.716892 2.155330 1.082895 3.398745 2.146033 3.863971 3.392178 2.926035 5.987173 6.772271 6.020942 6.600107 5.326365 3.591699 4.438517 5.762597 5.448764 2.814434 5.482817 5.414110 0.000000 7.324539 9.923722 4.881646 6.593472 8.461881 2.570410 6.611957 7.216683 7.258716 7.891307 8.316721 5.996478 8.313020 7.629707 8.399874 6.560701 5.640898 6.475675 4.286273 6.384880 3.726891 6.017266 4.782942 2.142588 3.393336 1.082454 3.859481 2.152810 3.393474 6.381004 8.968171 8.618344 8.135951 9.242460 6.406764 5.206482 5.710895 9.249863 7.576736 3.947232 7.445056 6.868777 4.288842 0.000000 3.126597 5.207292 6.648799 5.130053 6.872749 4.549334 7.282300 4.168339 3.723112 5.051091 4.956503 3.873584 4.104056 5.697525 3.904780 6.120160 5.800003 6.670455 4.817018 6.783436 4.979408 6.923313 6.102016 3.371910 2.136428 3.859202 1.082150 3.382481 2.146591 3.107665 5.902682 5.755312 4.520796 5.576940 4.898254 3.625482 3.369277 5.013089 7.024377 4.232496 7.635459 7.853676 2.460688 4.941611 0.000000 7.285099 9.462610 7.031165 7.341785 9.003813 4.492971 7.642821 6.859928 7.131962 7.935866 7.582768 5.648513 7.999624 8.088194 8.103178 7.717110 7.138696 7.573108 5.784100 8.135343 5.577408 7.992352 6.814124 3.371474 3.863053 2.137721 3.383584 1.081952 2.146648 6.476645 8.929193 7.865318 7.111019 8.556095 6.084028 5.253723 4.947291 8.809131 8.801105 5.079866 9.164656 8.929652 4.945870 2.471548 4.280779 0.000000 5.582116 7.335974 7.732397 6.725776 8.288841 5.227208 7.932630 5.436317 5.599071 6.666907 5.915826 4.614172 6.145451 7.238908 6.161261 7.528954 7.201398 7.649705 5.990035 8.296745 6.052143 8.356299 7.329293 3.849918 3.390674 3.389525 2.147029 2.146493 1.081602 5.133930 7.533527 6.406748 5.244228 6.769968 5.320860 4.529844 3.703508 6.873875 8.564081 5.191309 9.243327 9.333147 4.283350 4.288368 2.474931 2.477152 0.000000 C22H18Cl2FNO3 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 0 416.1447031999997 AuxInfo=1/0/N:8;9;10;11;12;13;14;15;16;17;18;19;20;21;22;23;24;25;26;27;28;29;1;2;3;7;4;5;6;30;31;32;33;34;35;36;37;38;39;40;41;42;43;44;45;46;47/rA:47nCl0Cl0F0O0O0O0N0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:2.2803,-1.8838,-1.7362;5.1201,-1.4641,-1.9706;-4.6426,-1.4253,-2.178;-.0479,2.0967,-.2256;.879,4.0659,.2531;-3.2986,-1.77,.0733;-2.2019,3.6987,1.8499;2.3454,1.1525,1.5781;2.3494,.6228,.1708;2.2176,2.1131,.4097;3.6308,1.2361,2.364;1.1494,.8289,2.4397;3.5725,.1187,-.4641;.9799,2.8683,.1426;3.6397,-.9316,-1.2719;-1.3199,2.7039,-.4055;-2.2563,1.6221,-.8762;-1.791,3.2723,.8636;-2.3595,.4535,-.129;-2.9734,1.7733,-2.0506;-3.1484,-.5882,-.5797;-3.8006,.7461,-2.4876;-3.8695,-.419,-1.759;-2.2841,-2.2318,.8847;-.9599,-2.2471,.465;-2.6473,-2.733,2.124;.0097,-2.7555,1.3166;-1.6683,-3.2558,2.958;-.338,-3.2607,2.5632;1.4371,.1116,-.1126;3.1019,2.7141,.2288;3.5218,1.9469,3.1844;3.875,.265,2.7978;4.4798,1.5606,1.7642;.9615,1.6325,3.1541;.2364,.6601,1.8717;1.3463,-.0801,3.0106;4.5017,.6388,-.2641;-1.2726,3.5134,-1.1398;-1.8143,.3514,.8013;-2.8897,2.6811,-2.6327;-4.3704,.8436,-3.402;-.682,-1.8665,-.51;-3.6853,-2.7185,2.4308;1.0435,-2.7645,.997;-1.9514,-3.6532,3.9237;.4234,-3.6607,3.2191; 0.1635379 0.1082147 0.0917025 -101.57279 -101.57183 -24.70795 -19.19515 -19.18217 -19.13256 -14.33404 -10.32442 -10.29041 -10.28367 -10.27090 -10.25677 -10.24380 -10.23360 -10.20575 -10.20570 -10.19758 -10.19737 -10.19677 -10.19140 -10.19035 -10.18922 -10.17969 -10.17899 -10.17892 -10.17776 -10.17355 -10.15805 -10.15709 -9.48812 -9.48692 -7.25274 -7.25165 -7.24280 -7.24249 -7.24154 -7.24132 -1.25262 -1.14669 -1.10788 -1.05199 -0.93652 -0.93329 -0.90204 -0.89151 -0.86800 -0.84806 -0.82478 -0.78433 -0.77425 -0.76041 -0.75814 -0.74365 -0.73038 -0.69441 -0.67551 -0.66419 -0.63888 -0.62607 -0.61945 -0.60531 -0.58569 -0.57070 -0.56233 -0.55883 -0.54976 -0.52213 -0.51508 -0.51269 -0.50442 -0.49772 -0.49118 -0.48827 -0.48036 -0.47610 -0.45946 -0.45591 -0.45223 -0.44483 -0.44100 -0.43435 -0.43067 -0.42340 -0.41822 -0.41537 -0.41180 -0.40778 -0.40273 -0.39505 -0.39155 -0.38370 -0.37945 -0.37756 -0.37680 -0.36993 -0.36559 -0.35933 -0.35397 -0.35261 -0.34594 -0.34433 -0.33974 -0.33932 -0.33412 -0.32224 -0.30831 -0.29164 -0.27533 -0.26550 -0.26453 -0.24413 -0.23723 -0.04231 -0.03022 -0.02904 -0.01933 -0.01216 -0.01074 -0.00823 0.00142 0.00315 0.00982 0.01124 0.01543 0.02051 0.02105 0.02682 0.03118 0.03261 0.03628 0.03940 0.04430 0.04517 0.04941 0.05276 0.05754 0.06058 0.06491 0.06877 0.07194 0.07465 0.07842 0.07881 0.08252 0.08618 0.08973 0.09094 0.09272 0.09663 0.10056 0.10231 0.10447 0.10695 0.10957 0.11387 0.11534 0.11649 0.11900 0.12234 0.12513 0.12647 0.12926 0.13272 0.13526 0.13875 0.13960 0.14230 0.14437 0.14869 0.14998 0.15109 0.15428 0.15695 0.15831 0.16091 0.16333 0.16628 0.16974 0.17342 0.17375 0.17684 0.18020 0.18212 0.18580 0.18859 0.18993 0.19296 0.19501 0.19738 0.19948 0.20190 0.20478 0.20611 0.20895 0.21256 0.21345 0.21716 0.21861 0.22128 0.22345 0.22398 0.22655 0.22791 0.22959 0.23103 0.23421 0.23707 0.23857 0.23939 0.24018 0.24482 0.24600 0.24746 0.24841 0.25300 0.25314 0.25607 0.25926 0.25969 0.26338 0.26733 0.26881 0.26957 0.27108 0.27252 0.27500 0.27796 0.28078 0.28675 0.28936 0.29248 0.29445 0.29734 0.29869 0.30279 0.30582 0.30776 0.31049 0.31579 0.31826 0.31839 0.32274 0.32496 0.32614 0.32933 0.33667 0.33688 0.33941 0.34227 0.34687 0.34879 0.35491 0.35577 0.35806 0.36279 0.36509 0.36725 0.36958 0.37184 0.37765 0.37912 0.38474 0.38982 0.39388 0.39603 0.40273 0.40700 0.41256 0.41766 0.42238 0.42771 0.43031 0.43624 0.43966 0.45148 0.45293 0.45496 0.46178 0.46470 0.47485 0.47663 0.48091 0.49116 0.49840 0.50072 0.50548 0.51057 0.51835 0.52111 0.52952 0.54298 0.54462 0.54658 0.55116 0.56377 0.56861 0.57224 0.57572 0.57875 0.58065 0.58265 0.58707 0.58931 0.59337 0.59930 0.60407 0.60918 0.61289 0.61671 0.62695 0.62907 0.63416 0.64177 0.64233 0.64926 0.65725 0.65795 0.66173 0.66313 0.66966 0.67296 0.67878 0.68068 0.68404 0.68797 0.68905 0.69475 0.69974 0.70241 0.70640 0.70915 0.71167 0.71752 0.71952 0.72126 0.72616 0.73000 0.73530 0.74181 0.74451 0.75092 0.75282 0.75698 0.76148 0.76381 0.76893 0.77325 0.77562 0.78377 0.78769 0.78977 0.79431 0.79765 0.80383 0.80926 0.81641 0.81864 0.82434 0.82651 0.83058 0.84177 0.84252 0.85456 0.85698 0.86122 0.86611 0.87040 0.87179 0.87865 0.88150 0.89188 0.90047 0.90283 0.90595 0.91128 0.91508 0.92391 0.92672 0.93495 0.93676 0.94150 0.94619 0.95136 0.95499 0.96682 0.96913 0.97406 0.97700 0.98111 0.98794 0.99277 1.00207 1.01096 1.01717 1.02381 1.02636 1.03289 1.04469 1.04668 1.04917 1.05865 1.06447 1.06785 1.07314 1.07895 1.08250 1.09618 1.10434 1.10976 1.11879 1.12630 1.13149 1.13285 1.15081 1.15494 1.16841 1.17193 1.17751 1.18400 1.18916 1.20071 1.20450 1.22541 1.23157 1.23938 1.25010 1.25834 1.28681 1.29179 1.29692 1.30862 1.31216 1.31806 1.32964 1.34069 1.34901 1.37173 1.37752 1.39614 1.40081 1.41119 1.41902 1.42728 1.44259 1.44957 1.45242 1.45629 1.46710 1.48066 1.48592 1.49222 1.50134 1.51200 1.52193 1.52345 1.53317 1.53594 1.53901 1.54374 1.54875 1.55750 1.56856 1.57462 1.58037 1.58113 1.58541 1.58914 1.59494 1.60849 1.61625 1.61780 1.62487 1.63228 1.63569 1.63665 1.64675 1.65950 1.66427 1.67577 1.67887 1.68924 1.69489 1.69826 1.70367 1.70787 1.71528 1.72014 1.72832 1.73141 1.73634 1.74894 1.75612 1.76421 1.76885 1.77903 1.79315 1.79630 1.80470 1.81033 1.82353 1.82484 1.83905 1.84440 1.84763 1.85486 1.86271 1.87356 1.88176 1.88343 1.89964 1.90497 1.91997 1.92326 1.93069 1.94125 1.94432 1.95176 1.95675 1.96633 1.96695 1.97720 1.99253 1.99630 1.99908 2.00759 2.01460 2.01856 2.02287 2.03278 2.04669 2.05056 2.05795 2.06416 2.06877 2.07728 2.09244 2.09661 2.09911 2.10386 2.10953 2.11369 2.12284 2.13711 2.15460 2.16891 2.17524 2.19562 2.20340 2.21290 2.23002 2.23560 2.23886 2.24514 2.25515 2.26830 2.28470 2.29162 2.30653 2.32909 2.33064 2.34153 2.35139 2.35241 2.35700 2.37136 2.39888 2.41489 2.42405 2.42909 2.44369 2.46621 2.46998 2.48504 2.49329 2.50613 2.51376 2.52374 2.53836 2.54495 2.55341 2.57588 2.58366 2.58732 2.59768 2.60888 2.61655 2.63782 2.64416 2.65442 2.66358 2.66978 2.68230 2.68896 2.69986 2.70273 2.71317 2.72750 2.73531 2.73718 2.74763 2.75040 2.75271 2.75988 2.76642 2.77578 2.77931 2.78199 2.78697 2.80086 2.80316 2.80996 2.82804 2.82873 2.83941 2.84388 2.84870 2.86138 2.86985 2.87720 2.88401 2.89058 2.90062 2.90626 2.91574 2.92173 2.94082 2.94973 2.95926 2.96073 2.96287 2.97867 2.98701 3.00208 3.01210 3.02539 3.03901 3.07134 3.08097 3.08543 3.09897 3.11336 3.11578 3.12782 3.13953 3.14183 3.15642 3.16841 3.18941 3.19482 3.20351 3.21684 3.22428 3.23758 3.25891 3.26271 3.29225 3.29581 3.31562 3.34932 3.37843 3.38181 3.38559 3.40484 3.41068 3.45641 3.46295 3.46790 3.53906 3.55446 3.57471 3.60092 3.61607 3.66111 3.66710 3.69164 3.72206 3.72457 3.74432 3.77613 3.78189 3.80145 3.82465 3.84548 3.85278 3.87037 3.89479 3.90582 3.96130 3.98574 4.00093 4.01627 4.02340 4.04320 4.06936 4.12164 4.12842 4.14930 4.16237 4.16945 4.18196 4.19408 4.23509 4.26830 4.34119 4.37300 4.56235 4.58935 4.66232 4.85253 4.86848 4.88485 5.10259 5.12706 5.13617 5.24384 5.44431 5.45274 5.68103 5.89328 5.91133 6.33073 6.46344 6.77505 9.76447 9.83436 23.52680 23.55647 23.62780 23.78795 23.82975 23.89170 23.90966 23.93423 23.96227 23.96503 23.99092 24.00654 24.01837 24.03136 24.06917 24.09689 24.10935 24.12053 24.19597 24.20367 24.22002 24.36175 25.82131 25.96419 25.98721 26.18932 26.54864 26.61780 35.88037 49.93572 49.99066 50.02146 66.80398 215.75569 215.83697 1-A. 3.5171 -1.4807 -0.7456 3.8882 -186.3197 -214.1527 -177.0757 2.1427 17.3556 -29.1938 6.1963 -21.6366 15.4403 2.1427 17.3556 -29.1938 81.7887 -133.1926 -26.4744 22.0879 50.4352 6.7251 -18.1365 -28.4013 -58.9387 61.5766 -8871.0704 -5977.6014 -2994.4869 100.8503 115.2734 14.1588 -322.0225 151.6547 -180.5314 -2446.6240 -1919.7928 -1348.1505 -221.2459 134.1153 65.2798 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 416.1447031999997 AuxInfo=1/0/N:8;9;10;11;12;13;14;15;16;17;18;19;20;21;22;23;24;25;26;27;28;29;1;2;3;7;4;5;6;30;31;32;33;34;35;36;37;38;39;40;41;42;43;44;45;46;47/rA:47nCl0Cl0F0O0O0O0N0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:-1.6582,-.701,2.7035;-4.3037,.3225,3.4355;4.0539,-3.3966,.4429;.9276,1.8728,-.0327;.7572,4.1198,-.0904;1.8126,-2.9305,-.9719;2.8523,2.774,-2.695;-2.0158,2.0462,-1.0174;-1.8251,1.4177,.3425;-1.2325,2.807,.0639;-3.3542,2.6469,-1.4008;-1.2889,1.4209,-2.1922;-2.9165,1.2916,1.3208;.223,3.028,-.0222;-2.9463,.4244,2.3306;2.3524,1.9192,-.2618;2.8584,.5021,-.0845;2.619,2.4135,-1.6238;2.1248,-.5355,-.6599;4.0073,.2349,.654;2.5086,-1.8548,-.4683;4.4231,-1.0884,.8169;3.671,-2.1069,.2638;.4712,-2.7059,-1.3238;-.4631,-2.4142,-.3343;.1135,-2.8017,-2.6615;-1.7896,-2.2014,-.7014;-1.2216,-2.5983,-3.0164;-2.1711,-2.2938,-2.0414;-1.0895,.6246,.3663;-1.7499,3.6623,.4797;-3.2158,3.3652,-2.2139;-4.0269,1.8599,-1.7557;-3.8399,3.1673,-.5743;-1.0697,2.181,-2.9481;-.3545,.9442,-1.904;-1.9274,.6603,-2.6495;-3.7708,1.9518,1.2249;2.8285,2.6003,.4462;1.2353,-.3214,-1.2336;4.5717,1.0408,1.1064;5.3098,-1.3373,1.3866;-.1434,-2.338,.6975;.8703,-3.0208,-3.4049;-2.5229,-1.96,.0592;-1.513,-2.6671,-4.0581;-3.2033,-2.1231,-2.3236; 0.000000 2.929571 0.000000 6.708538 9.624846 0.000000 4.560403 6.465147 6.145491 0.000000 6.072894 7.243225 8.224906 2.254167 0.000000 5.525018 8.210797 2.691186 4.973634 7.183116 0.000000 7.846248 9.736590 7.026147 3.406553 3.603394 6.049018 0.000000 4.638986 5.294701 8.282417 3.108609 3.584551 6.279027 5.200252 0.000000 3.176673 4.112112 7.599431 2.815188 3.762580 5.819623 5.739701 1.510199 0.000000 4.410769 5.193562 8.159301 2.355365 2.388715 6.577538 4.929265 1.536812 1.535890 0.000000 5.561533 5.449270 9.736717 4.561186 4.559589 7.614935 6.341224 1.516261 2.624513 2.583155 0.000000 5.348540 6.478181 7.661444 3.127371 3.985978 5.481128 4.385526 1.516436 2.590828 2.648483 2.528819 0.000000 2.732383 2.708405 8.446140 4.116647 4.846273 6.741478 7.183536 2.616832 1.471078 2.590809 3.071739 3.873904 0.000000 4.987308 6.306019 7.494521 1.353140 1.217426 6.239564 3.757909 2.639454 2.630701 1.474611 3.852502 3.094746 3.830783 0.000000 1.750645 1.753241 8.195488 4.763363 5.764800 6.693954 8.024992 3.834733 2.489217 3.708363 4.362304 4.918932 1.331429 4.728443 0.000000 5.634135 7.779711 5.625793 1.443898 2.723369 4.931000 2.626937 4.434936 4.250723 3.707504 5.864468 4.151335 5.537178 2.412760 6.085326 0.000000 5.442357 7.982354 4.111829 2.368463 4.183645 3.696417 3.460725 5.197369 4.791247 4.697829 6.702911 4.741999 5.995633 3.650957 6.287477 1.515157 0.000000 6.835204 8.825711 6.331466 2.384325 2.954503 5.443636 1.154072 4.688789 4.960703 4.223398 5.981931 4.071880 6.369587 2.946850 7.111000 1.473188 2.465838 0.000000 5.064701 7.670410 3.622614 2.761726 4.885391 2.435239 3.952688 4.892670 4.519125 4.792489 6.379387 4.222427 5.716390 4.089330 5.964970 2.497213 1.394975 3.141682 0.000000 6.097013 8.764543 3.637876 3.555128 5.119556 4.180803 4.358532 6.507859 5.959295 5.866758 8.014430 6.128336 7.035650 4.751810 7.155320 2.532641 1.391623 3.444095 2.421454 0.000000 5.362232 8.147891 2.365459 4.072449 6.237506 1.376574 5.148054 5.999160 5.490756 6.000954 7.450343 5.303121 6.521729 5.409722 6.540966 3.782907 2.413452 4.423362 1.387274 2.805762 0.000000 6.378936 9.219806 2.367208 4.659317 6.433310 3.661574 5.451512 7.392554 6.748775 6.908425 8.908229 6.926580 7.732283 5.940519 7.673786 3.807506 2.406317 4.634097 2.787207 1.396613 2.429854 0.000000 6.027319 8.919517 1.357224 4.842771 6.883849 2.378864 5.766116 7.157501 6.529689 6.944801 8.644257 6.563379 7.487499 6.191745 7.380190 4.269004 2.754699 5.010359 2.390223 2.397701 1.396705 1.381528 0.000000 4.977272 7.390686 4.053967 4.779134 6.942144 1.404919 6.130176 5.372276 5.005417 5.934669 6.579673 4.569719 5.869476 5.885016 5.901923 5.104751 4.186404 5.559829 2.808162 5.006367 2.367984 4.776633 3.621957 0.000000 3.686677 6.037517 4.687476 4.517039 6.651467 2.419083 6.594104 4.772097 4.122770 5.292611 5.925480 4.340738 4.742572 5.494152 4.617978 5.168249 4.427109 5.871052 3.214455 5.289444 3.026826 5.192030 4.188427 1.391800 0.000000 6.027892 8.151483 5.051544 5.424457 7.411627 2.399627 6.212112 5.544307 5.530504 6.379443 6.580441 4.474090 6.464943 6.400275 6.685181 5.749609 5.009036 5.878179 3.631402 5.947625 3.382761 5.797104 4.657917 1.387974 2.428714 0.000000 3.723147 5.459386 6.073267 4.942654 6.842339 3.685209 7.090603 4.265368 3.766891 5.097120 5.142371 3.949016 4.190538 5.644348 4.174435 5.859110 5.412329 6.448625 4.254369 6.432427 4.318436 6.491605 5.546067 2.398545 1.392725 2.797222 0.000000 6.042156 7.723825 6.358898 5.788983 7.590101 3.673811 6.749903 5.118363 5.270192 6.221366 5.888140 4.103363 6.067558 6.535062 6.379783 6.385048 5.903799 6.465913 4.583275 6.988518 4.578207 6.988267 5.910949 2.396222 2.793386 1.396412 2.416499 0.000000 5.031270 6.433435 6.792515 5.567475 7.315377 4.173589 7.165436 4.461800 4.424678 5.597406 5.120613 3.820969 4.971392 6.174911 5.206104 6.432539 6.077947 6.728888 4.842960 7.199329 4.956437 7.287290 6.283204 2.768762 2.417803 2.421158 1.396274 1.394596 0.000000 2.746493 4.454490 6.529240 2.405378 3.979356 4.780357 5.434067 2.189418 1.082019 2.207878 3.512996 2.686949 2.166556 2.765809 2.710386 3.730601 3.975428 4.573170 3.568067 5.119752 4.448657 5.790169 5.489460 4.047784 3.180839 4.728066 3.101062 4.674076 3.934891 0.000000 4.898225 5.139390 9.138623 3.260946 2.611480 7.633077 5.661079 2.219007 2.250045 1.082694 2.672257 3.517888 2.772872 2.132241 3.916825 4.518562 5.616204 5.007171 5.825337 6.702469 7.033684 7.796740 7.919398 6.981429 6.264433 7.424520 5.981676 7.190058 6.481373 3.110754 0.000000 6.568150 6.508215 10.277576 4.914481 4.567625 8.152433 6.115740 2.147349 3.501641 3.071385 1.093651 2.737436 4.108902 4.091733 5.419709 6.075033 7.044648 5.941296 6.793550 8.378291 7.941275 9.347292 9.138396 7.158458 6.671695 7.022463 5.942119 6.339022 5.757141 4.323064 3.080970 0.000000 5.661571 5.421119 9.887570 5.245500 5.546826 7.593539 7.002886 2.150324 3.073348 3.466475 1.094442 2.807112 3.319703 4.736070 4.463880 6.552110 7.214098 6.670221 6.691951 8.543676 7.626860 9.311928 8.892206 6.423832 5.743633 6.300351 4.755178 5.416131 4.558387 3.828407 3.664688 1.770171 0.000000 5.519769 4.938275 10.316589 4.969679 4.719586 8.324183 7.031153 2.186425 2.821484 2.708467 1.090800 3.489306 2.821740 4.102556 4.093989 6.324552 7.225658 6.586905 7.021136 8.466744 8.095459 9.398036 9.215925 7.324054 6.527948 7.457575 5.748349 6.786849 5.895827 3.861944 2.392467 1.765474 1.771966 0.000000 6.371263 7.393451 8.298234 3.547384 3.906785 6.191966 3.974652 2.154265 3.461413 3.080662 2.798189 1.094156 4.735521 3.309008 5.871284 4.358395 5.142893 3.926188 4.777091 6.522142 5.936493 7.418563 7.153834 5.375367 5.321306 5.129310 4.977148 4.782188 4.696684 3.661687 3.795605 2.558668 3.204622 3.779086 0.000000 5.063153 6.670324 6.617024 2.451129 3.822244 4.536329 3.775891 2.181841 2.726517 2.848426 3.485756 1.087808 4.133285 2.866538 4.991945 3.312829 3.718733 3.328582 3.143966 5.106035 4.253621 5.861746 5.496692 3.787029 3.708753 3.850287 3.660726 3.812919 3.715256 2.407623 3.875232 3.760836 3.787704 4.342607 1.769565 0.000000 5.529919 6.541258 7.861111 4.058157 5.071890 5.449327 5.226373 2.142935 3.088075 3.528988 2.746226 1.093312 4.140055 4.139175 5.088726 5.059867 5.432105 4.979537 4.669963 6.805412 5.546269 7.443219 6.891047 4.340674 4.117864 4.018806 3.464613 3.354228 3.025819 3.130188 4.339987 3.027560 2.577970 3.774833 1.771267 1.763575 0.000000 3.699588 2.797376 9.510180 4.864412 5.189700 7.735480 7.739959 2.849011 2.202157 2.919335 2.747955 4.256594 1.083903 4.320126 2.058026 6.301214 6.911022 7.011298 6.670696 7.985759 7.535811 8.749235 8.530965 6.795949 5.695135 7.265580 4.988529 6.722394 5.590419 3.112565 2.750506 3.759117 2.992978 2.172417 4.976187 4.740950 4.480769 0.000000 6.010338 8.061829 6.120777 2.090990 2.624398 5.799325 3.146132 5.090914 4.802699 4.084197 6.452893 5.030454 5.956785 2.681683 6.452411 1.091758 2.164464 2.088953 3.398851 2.650982 4.559243 4.035640 4.785419 6.070075 6.048893 6.797851 6.760230 7.444360 7.425344 4.388715 4.700143 6.647949 7.238307 6.769859 5.185934 4.289310 5.997149 6.676692 0.000000 4.900715 7.272964 4.495757 2.520235 4.610845 2.684921 3.785753 4.027698 3.856839 4.190519 5.468334 3.213452 5.134648 3.702828 5.544853 2.685616 2.152423 3.089786 1.079866 3.399394 2.134997 3.867072 3.370860 2.505559 2.841323 3.073966 3.601099 3.794614 4.018224 2.976478 5.264714 5.862102 5.720274 6.193849 3.809870 2.139836 3.601553 6.022723 3.727785 0.000000 6.662996 9.203979 4.516533 3.907557 5.046029 5.263344 4.517807 6.994024 6.453261 6.155799 8.466665 6.735798 7.495454 4.912588 7.641847 2.751110 2.154920 3.626384 3.404685 1.082976 3.888548 2.154006 3.380705 6.062841 6.273878 6.988354 7.365187 7.987646 8.154266 5.724499 6.872206 8.778999 9.099272 8.837456 7.040178 5.773997 7.515896 8.392890 2.430232 4.296771 0.000000 7.119786 9.968571 2.590073 5.614522 7.258602 4.508980 6.292963 8.419728 7.719285 7.856559 9.935181 7.997355 8.636413 6.849518 8.494519 4.697666 3.399504 5.510976 3.869760 2.169079 3.399289 1.082956 2.130355 5.712421 6.119407 6.747796 7.450341 7.977196 8.284241 6.770603 8.698156 10.380829 10.357070 10.385226 8.477395 6.936684 8.523879 9.659263 4.748165 4.949590 2.505755 0.000000 2.999738 5.646550 4.336208 4.405785 6.567708 2.638932 6.827539 5.066358 4.130360 5.297029 6.289812 4.877688 4.610095 5.426393 4.260762 5.027212 4.205691 5.966229 3.199391 4.883554 2.936896 4.735801 3.845896 2.144487 1.082874 3.400598 2.164619 3.876012 3.408050 3.127599 6.215493 7.102236 6.222712 6.752049 5.879622 4.193474 4.834718 5.642603 5.769027 3.113897 5.815071 5.586861 0.000000 7.006277 9.205447 5.008236 5.943345 7.873225 2.610664 6.165418 6.301180 6.403895 7.100582 7.347561 5.085466 7.434381 6.960641 7.702760 6.039837 5.233442 5.980199 3.909657 6.075735 3.559113 5.846334 4.705220 2.142295 3.402170 1.083231 3.880182 2.169267 3.411448 5.599315 8.162152 7.674363 7.108059 8.275987 5.570627 4.412995 4.684918 8.228182 7.089642 3.483516 7.109786 6.745508 4.280624 0.000000 3.053759 4.447559 6.742845 5.157978 6.909800 4.560918 7.673901 4.179174 3.460671 4.938578 4.903705 4.245224 3.509929 5.694412 3.320253 6.238588 5.919518 6.956973 4.914025 6.914795 5.060169 7.041327 6.199050 3.381363 2.145708 3.880915 1.083724 3.399983 2.155772 2.971381 5.690780 5.831294 4.488572 5.331512 5.320085 4.121934 3.815384 4.268315 7.041583 4.298890 7.773971 7.968750 2.492516 4.963806 0.000000 7.043142 8.536961 7.195979 6.540016 8.182853 4.544633 7.107750 5.631509 6.012399 6.858264 6.220162 4.499325 6.824506 7.192835 7.240668 7.098431 6.703952 6.986635 5.415265 7.816564 5.451591 7.841849 6.772539 3.378552 3.877238 2.148072 3.400123 1.083857 2.153970 5.530824 7.791648 6.533692 5.667004 7.182761 4.993327 4.361649 3.636977 7.371737 8.178258 4.586258 8.800245 8.829715 4.959823 2.496419 4.297854 0.000000 5.448112 6.352917 7.870373 6.187092 7.723138 5.257227 7.796778 4.527614 4.641693 5.821567 4.860850 4.030188 5.002445 6.600749 5.312055 7.173370 6.974916 7.414208 5.803200 8.149741 6.011644 8.312312 7.345161 3.852388 3.398675 3.402362 2.153225 2.152390 1.083657 4.387903 6.591087 5.489393 4.106776 5.608407 4.844349 4.207148 3.079200 5.433178 8.146514 4.912812 9.067828 9.319644 4.305408 4.309235 2.483379 2.482192 0.000000 C22H18Cl2FNO3 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 0 416.1447031999997 AuxInfo=1/0/N:8;9;10;11;12;13;14;15;16;17;18;19;20;21;22;23;24;25;26;27;28;29;1;2;3;7;4;5;6;30;31;32;33;34;35;36;37;38;39;40;41;42;43;44;45;46;47/rA:47nCl0Cl0F0O0O0O0N0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:2.0255,-1.6367,-1.9945;4.9514,-1.5283,-1.896;-4.642,-2.2138,-1.5303;-.2825,1.9813,-.4516;.5677,4.0682,-.508;-2.8769,-2.1539,.5004;-2.5028,3.8218,1.3616;2.1479,1.496,1.4248;2.1682,.7228,.1277;1.9932,2.2484,.0937;3.4372,1.7579,2.1787;.9542,1.3071,2.3407;3.3962,.1337,-.4283;.7236,2.876,-.3169;3.4389,-.8667,-1.3058;-1.6212,2.4598,-.7044;-2.4768,1.2302,-.9318;-2.0977,3.2335,.4551;-2.3092,.1437,-.0731;-3.3868,1.1705,-1.983;-3.0193,-1.0297,-.2812;-4.1354,.0071,-2.1742;-3.9384,-1.0702,-1.3321;-1.6951,-2.254,1.2534;-.4733,-2.4064,.6046;-1.788,-2.2157,2.6378;.6869,-2.5109,1.3679;-.6194,-2.3335,3.3932;.616,-2.4755,2.7619;1.2588,.1732,-.0762;2.852,2.8424,-.1925;3.3057,2.614,2.8463;3.693,.8876,2.791;4.2794,1.974,1.5199;.7795,2.2155,2.925;.0418,1.0666,1.7993;1.1579,.4887,3.0364;4.3498,.5371,-.1078;-1.6312,3.1151,-1.5776;-1.6029,.1971,.7421;-3.5106,2.0121,-2.6534;-4.8512,-.0792,-2.9822;-.4406,-2.4216,-.4777;-2.7555,-2.0859,3.1073;1.6452,-2.6159,.8729;-.6782,-2.3018,4.475;1.5214,-2.5526,3.3524; 0.1692205 0.1139286 0.0974891 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= 781 781 781 781 781 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= 762 RedAO= T EigKep= 1.08D-06 NBF= 762 NBsUse= 760 1.00D-06 EigRej= 6.21D-07 NBFU= 760 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= 781 781 781 781 781 MxSgAt= 47 MxSgA2= 47. 1 1.38371759e+00 -5.82548933e-01 -2.93358602e-01 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 17 17 9 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 0.008072930 -0.012678376 -0.000511068 -0.011799078 0.001469876 0.010668647 0.004420482 -0.013960623 0.002726904 -0.007353763 -0.010989127 0.003690348 0.007398315 0.016192546 -0.002609148 0.007176541 -0.010056172 -0.001302624 0.001452085 0.002238531 -0.008261192 -0.003080843 -0.000541833 -0.006447771 -0.001209214 -0.007949521 0.005078962 0.003991711 0.007756140 0.003401801 -0.003778173 0.002587949 -0.000566841 0.002569509 -0.003026609 -0.003341589 0.000183542 0.004215094 -0.002123679 -0.012327611 -0.002622738 0.002973578 0.002222251 0.004762488 -0.004714783 0.012047585 0.000479067 -0.001809143 -0.000625644 0.000235689 -0.000207101 0.000207371 -0.000143599 0.003580903 -0.003446165 0.002472617 -0.004353849 0.003149210 0.003239791 0.002949936 0.002087072 0.004432321 0.003079643 0.004309174 -0.000192069 0.003957500 -0.001586229 0.009268461 -0.001301060 -0.008066406 0.000911163 -0.003191024 -0.000027619 0.001340752 0.005536830 0.003117704 -0.002434071 -0.003451207 -0.003746948 0.001812455 0.003183226 -0.001427355 -0.001499078 -0.004719865 -0.004757496 0.000026951 -0.001155346 0.000720430 0.001373147 -0.000221867 0.001244615 -0.000147294 -0.000445595 0.000892578 0.000978829 -0.001792134 -0.001054779 -0.001954675 -0.000489219 -0.000119265 0.000389739 0.001420839 0.000354988 0.001775756 -0.001101248 0.001423348 0.000341405 0.001846650 -0.001690536 -0.001082795 -0.000234840 -0.000190398 0.000349778 -0.000173145 -0.002097813 0.000565912 -0.000374660 0.000077895 -0.000384885 0.001005529 0.000392603 0.000934066 0.000420446 0.000459195 -0.001456364 0.000239292 0.001442346 0.000217238 -0.000327218 0.001447494 0.000237117 0.000484544 -0.000685474 0.000758544 0.000892756 -0.000359652 -0.000405815 -0.001409957 -0.001430512 0.000162226 -0.000501159 0.016192546 0.004305920 (Enter /usr/local/gaussian/gaussian16/g16/l716.exe) Closed 1 1 1 -2150.22440794349 -2150.22440937840 -0.000001434906 -2150.22440938050 -0.000000002096 -2150.22440939360 -0.000000013104 -2150.22440939430 -0.000000000701 -2150.22440939483 -0.000000000531 -2150.22440939475 0.000000000082 -2150.22440939473 0.000000000022 -2150.22440939469 0.000000000037 -2150.22440939 9 2.143019093030e+03 -1.127770497031e+04 3.872687520686e+03 Using DIIS extrapolation, IDIIS= 1040. NGot= 1415577600 LenX= 1414311438 LenY= 1413684966 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) PT521890.400S 2024-09-22T01:07:16.000 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 F 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 0.459596 0.502511 -0.176533 0.167481 -0.322562 -0.029845 -0.364056 0.223872 1.003735 -0.571608 -0.406205 -0.585001 -1.780511 -0.044110 -0.325834 0.371654 0.960420 -0.362144 0.619494 -0.666704 -0.672014 0.177506 -0.677400 -1.025981 0.528697 -0.051180 0.175324 -0.161482 -0.282437 0.218917 0.206606 0.171932 0.166504 0.155620 0.171406 0.151661 0.168446 0.197783 0.253180 0.227616 0.170182 0.181497 0.192866 0.165707 0.184522 0.168982 0.161892 -0.00000 -101.57396 -101.57285 -24.70530 -19.19329 -19.18060 -19.13375 -14.33637 -10.32678 -10.29336 -10.28885 -10.27292 -10.25932 -10.24332 -10.23616 -10.20939 -10.20934 -10.20182 -10.20033 -10.19988 -10.19359 -10.19200 -10.19198 -10.18234 -10.18229 -10.18175 -10.18172 -10.17769 -10.16043 -10.15785 -9.48863 -9.48719 -7.25339 -7.25205 -7.24332 -7.24302 -7.24182 -7.24163 -1.24276 -1.13488 -1.09549 -1.04590 -0.93581 -0.92460 -0.89628 -0.88806 -0.86582 -0.84455 -0.82141 -0.77965 -0.77472 -0.75926 -0.75740 -0.74293 -0.72946 -0.69353 -0.67477 -0.65925 -0.63399 -0.62303 -0.61919 -0.60293 -0.58348 -0.56861 -0.55808 -0.55590 -0.54711 -0.51944 -0.51241 -0.50804 -0.50294 -0.49242 -0.49067 -0.48598 -0.47700 -0.47466 -0.45993 -0.45626 -0.45344 -0.44269 -0.43931 -0.43425 -0.43019 -0.42200 -0.41655 -0.41242 -0.41131 -0.40438 -0.40011 -0.39317 -0.39231 -0.38572 -0.38049 -0.37728 -0.37421 -0.37052 -0.36473 -0.35988 -0.35432 -0.35209 -0.34519 -0.34224 -0.33941 -0.33810 -0.33415 -0.32288 -0.30974 -0.28950 -0.27418 -0.26530 -0.26297 -0.24755 -0.24334 -0.04377 -0.03656 -0.02898 -0.02304 -0.01899 -0.01668 -0.01102 -0.00068 0.00126 0.00883 0.00970 0.01526 0.01830 0.02037 0.02561 0.03006 0.03413 0.03652 0.03868 0.04311 0.04627 0.05295 0.05357 0.05745 0.06160 0.06559 0.06803 0.07076 0.07288 0.07894 0.08172 0.08349 0.08778 0.08904 0.09198 0.09580 0.09839 0.09911 0.10320 0.10525 0.10741 0.10968 0.11363 0.11513 0.11946 0.12063 0.12397 0.12414 0.12749 0.12886 0.13035 0.13597 0.13773 0.13879 0.14322 0.14375 0.14555 0.14949 0.15272 0.15486 0.15645 0.15912 0.16229 0.16541 0.16715 0.16886 0.17184 0.17528 0.18000 0.18127 0.18283 0.18413 0.18812 0.18915 0.19148 0.19479 0.19763 0.20002 0.20338 0.20503 0.20614 0.20883 0.21288 0.21457 0.21493 0.21713 0.22147 0.22324 0.22425 0.22692 0.22927 0.23101 0.23124 0.23400 0.23477 0.23596 0.23935 0.24317 0.24385 0.24518 0.24811 0.24901 0.25225 0.25709 0.25856 0.25950 0.26002 0.26364 0.26768 0.26897 0.26980 0.27096 0.27550 0.27797 0.28020 0.28064 0.28424 0.28710 0.29205 0.29336 0.29534 0.29985 0.30108 0.30592 0.30807 0.30979 0.31408 0.31812 0.31993 0.32310 0.32644 0.32987 0.33071 0.33311 0.33736 0.34001 0.34245 0.34320 0.34881 0.35172 0.35534 0.35893 0.36385 0.36568 0.36695 0.37226 0.37338 0.37569 0.38103 0.38370 0.38744 0.39259 0.39565 0.39919 0.40353 0.40944 0.41117 0.42099 0.42415 0.42641 0.43272 0.43668 0.45196 0.45423 0.45784 0.46167 0.46699 0.47626 0.48380 0.48939 0.49154 0.49930 0.50180 0.50251 0.51198 0.52094 0.52633 0.53198 0.53461 0.53989 0.55086 0.55617 0.56679 0.56759 0.56833 0.57211 0.57397 0.57989 0.58646 0.59091 0.59447 0.59803 0.60310 0.60646 0.61216 0.62091 0.62259 0.62856 0.63475 0.63614 0.64001 0.64388 0.64761 0.65348 0.66006 0.66517 0.66772 0.67034 0.67413 0.67772 0.68151 0.68323 0.68760 0.69229 0.69745 0.70162 0.70216 0.70335 0.70695 0.71082 0.71482 0.72214 0.72582 0.72895 0.73359 0.73529 0.74219 0.74538 0.75004 0.75137 0.75401 0.76007 0.76458 0.76694 0.77065 0.77578 0.78069 0.78835 0.79071 0.79785 0.79906 0.80673 0.80800 0.82194 0.82304 0.83080 0.83449 0.84092 0.84407 0.84854 0.85256 0.85530 0.86223 0.86432 0.86923 0.87478 0.87680 0.89177 0.89540 0.90075 0.90685 0.90872 0.91055 0.92051 0.92576 0.93178 0.93593 0.93719 0.94805 0.94895 0.95677 0.96067 0.96794 0.97429 0.97966 0.98183 0.98323 0.98986 0.99469 1.00264 1.00997 1.01461 1.01899 1.02736 1.03468 1.03865 1.04938 1.05694 1.06114 1.06358 1.07179 1.07509 1.08277 1.09203 1.09780 1.10972 1.11695 1.12007 1.13005 1.13979 1.14388 1.15541 1.15728 1.17754 1.17974 1.18499 1.18874 1.19508 1.21253 1.21900 1.22473 1.23228 1.25082 1.26047 1.26558 1.28180 1.29042 1.29578 1.30446 1.31601 1.32371 1.33266 1.34103 1.35401 1.37664 1.38374 1.39543 1.40608 1.41348 1.42628 1.44015 1.44072 1.44968 1.45572 1.45886 1.46705 1.47805 1.48563 1.48992 1.49984 1.50896 1.51820 1.52666 1.52954 1.53549 1.54019 1.54501 1.55404 1.55719 1.56715 1.57077 1.57525 1.57814 1.58715 1.59035 1.59540 1.59928 1.60745 1.61281 1.61991 1.63209 1.63762 1.64707 1.65097 1.65512 1.65978 1.66769 1.67381 1.68453 1.69058 1.69617 1.70120 1.70554 1.71585 1.71809 1.72181 1.73401 1.74273 1.74735 1.75421 1.76105 1.77021 1.78054 1.78927 1.79535 1.79894 1.81092 1.81576 1.81904 1.82755 1.84424 1.84821 1.84840 1.85970 1.87087 1.87763 1.88709 1.89860 1.90314 1.91152 1.92097 1.92766 1.93088 1.94228 1.94729 1.95206 1.95950 1.96731 1.97446 1.98301 1.98815 1.99821 2.00624 2.00960 2.01827 2.02868 2.03676 2.04046 2.04643 2.05307 2.06569 2.06950 2.07388 2.07790 2.08598 2.09132 2.09896 2.10351 2.10490 2.12125 2.12635 2.15230 2.16760 2.17413 2.19841 2.20471 2.21322 2.22667 2.22950 2.23407 2.23876 2.25009 2.26852 2.27234 2.28748 2.30744 2.31500 2.32459 2.33556 2.33956 2.34007 2.35809 2.37430 2.39282 2.41100 2.42260 2.43658 2.44480 2.46292 2.47170 2.48132 2.48818 2.49808 2.50941 2.52395 2.53929 2.54281 2.55189 2.56798 2.57481 2.58350 2.59132 2.59936 2.60729 2.62733 2.62830 2.65491 2.66054 2.67101 2.68135 2.68646 2.70314 2.70876 2.72095 2.72925 2.73517 2.74461 2.75216 2.75845 2.76212 2.76855 2.76959 2.77324 2.77983 2.78977 2.79894 2.80236 2.80867 2.81528 2.82106 2.82650 2.83445 2.83828 2.84760 2.86246 2.86878 2.87578 2.88285 2.89533 2.90058 2.90962 2.91239 2.92721 2.93679 2.94562 2.95060 2.95849 2.96058 2.97688 2.98659 2.99841 3.00521 3.02159 3.03679 3.05283 3.06184 3.06753 3.09479 3.09827 3.10266 3.11631 3.12392 3.13816 3.15236 3.15849 3.16756 3.17233 3.18283 3.19453 3.20322 3.21892 3.24542 3.26188 3.26822 3.30277 3.31276 3.33634 3.35689 3.36489 3.37675 3.38672 3.40115 3.43078 3.44898 3.46340 3.52874 3.55905 3.56449 3.58417 3.59418 3.63973 3.66055 3.66979 3.71073 3.71342 3.73480 3.76702 3.77700 3.80237 3.82235 3.83976 3.85762 3.86705 3.88914 3.89767 3.96106 3.96802 3.99431 4.00892 4.02038 4.03665 4.06046 4.10143 4.12871 4.13940 4.14976 4.15814 4.17656 4.18965 4.22905 4.24813 4.32129 4.35087 4.53362 4.56987 4.65456 4.83996 4.85644 4.86561 5.10085 5.12958 5.14845 5.23403 5.43110 5.44662 5.65127 5.86354 5.87625 6.33208 6.46080 6.74505 9.75780 9.82796 23.52904 23.55903 23.62798 23.77827 23.80879 23.86212 23.88850 23.91357 23.94553 23.96048 23.98158 23.99257 24.01421 24.03183 24.04531 24.08053 24.09153 24.09665 24.17207 24.18481 24.19611 24.34512 25.83999 25.95863 25.98955 26.21103 26.54356 26.59742 35.86971 49.93608 49.98527 50.01076 66.80026 215.74890 215.83061 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 F 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 0.367819 0.551757 -0.197781 0.144151 -0.326364 -0.026841 -0.351690 0.091183 0.886225 -0.384833 -0.364165 -0.526124 -1.558700 -0.087868 -0.393929 0.383867 0.641188 -0.411727 1.066470 -0.528935 -0.534813 0.046624 -0.936221 -0.378133 0.065105 -0.225082 0.066995 -0.038304 -0.371220 0.203270 0.207655 0.174943 0.171615 0.157880 0.172949 0.140314 0.177483 0.199003 0.256520 0.233900 0.170815 0.184454 0.183270 0.170614 0.189735 0.171145 0.165784 -0.00000 1.55409155e+00 -5.04040067e-01 1.79557549e-01 ./ancestor::cml:module[@dictRef='cc:finalization']/cml:molecule[@id='mol9999'] 3.9501 -1.2811 0.4564 4.1777 -184.3471 -225.8977 -171.2279 1.7881 22.7333 -16.6542 9.4771 -32.0734 22.5963 1.7881 22.7333 -16.6542 68.6856 -142.7156 2.6990 64.3365 54.2069 -18.5020 -30.1023 -15.4923 -44.9868 49.9412 -8280.7981 -5864.4267 -2912.1904 56.0996 242.5408 104.4359 -68.4834 129.6517 -112.8404 -2400.4686 -1786.9719 -1353.5200 -178.5514 163.2846 46.3137 (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A) (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A) (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A) (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(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 -2150.2244094 3.089E-9 3.011E-6 17.258871,-18.774603,1.5157321,-5.4321861,20.1223115,11.413019 C01 [X(C22H18Cl2F1N1O3)] -1.6026479 0.0032761 0.3647009 0.000002927 0.000005532 0.000003717 0.000002523 0.000007445 0.000001785 -0.000000943 -0.000001514 0.000003623 -0.000004197 -0.000001295 0.000000851 0.000002574 0.000003060 -0.000005751 -0.000000629 0.000003451 0.000011182 0.000000452 -0.000003734 -0.000004892 0.000004242 0.000000412 -0.000006689 0.000003070 0.000005693 -0.000003387 -0.000003628 -0.000000341 0.000003609 -0.000001486 -0.000001075 -0.000001431 -0.000001073 -0.000000924 -0.000001092 0.000000359 0.000002198 0.000000032 0.000000319 0.000000185 -0.000007000 -0.000004670 0.000002385 -0.000000137 0.000007207 -0.000004055 -0.000001633 0.000002874 0.000003100 -0.000001180 0.000000770 0.000000325 -0.000005275 -0.000001669 -0.000005094 0.000000278 -0.000000899 0.000002828 0.000000701 -0.000004648 -0.000002249 -0.000004282 0.000000124 -0.000002076 -0.000000024 0.000003981 0.000001621 0.000002101 -0.000001267 -0.000007354 -0.000001341 -0.000001174 -0.000000011 0.000004596 0.000001227 -0.000001950 0.000004830 -0.000000875 -0.000000743 0.000004336 -0.000005067 -0.000001990 0.000004889 -0.000001132 -0.000000948 0.000000358 0.000000117 0.000001087 0.000000709 0.000002638 0.000001782 -0.000003437 0.000000702 -0.000001108 -0.000003353 -0.000000131 -0.000000451 -0.000000727 0.000001893 0.000001262 -0.000002817 -0.000000150 -0.000002840 -0.000002029 0.000000407 -0.000003192 -0.000000494 -0.000000643 -0.000002454 -0.000000026 0.000000172 0.000003777 -0.000000102 -0.000000127 0.000002796 -0.000004831 -0.000000029 0.000000048 -0.000000887 0.000001371 0.000000698 -0.000002621 0.000000223 0.000000697 0.000000237 -0.000000224 0.000001799 0.000004199 -0.000002178 -0.000004033 0.000003323 -0.000000100 0.000002493 0.000002516 -0.000001958 -0.000004021 0.000003729 -0.000001277 -0.000001221 0.000003837 416.1447031999997 AuxInfo=1/0/N:8;9;10;11;12;13;14;15;16;17;18;19;20;21;22;23;24;25;26;27;28;29;1;2;3;7;4;5;6;30;31;32;33;34;35;36;37;38;39;40;41;42;43;44;45;46;47/rA:47nCl0Cl0F0O0O0O0N0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:-1.6582,-.701,2.7035;-4.3037,.3225,3.4355;4.0539,-3.3966,.4429;.9276,1.8728,-.0327;.7572,4.1198,-.0904;1.8126,-2.9305,-.9719;2.8523,2.774,-2.695;-2.0158,2.0462,-1.0174;-1.8251,1.4177,.3425;-1.2325,2.807,.0639;-3.3542,2.6469,-1.4008;-1.2889,1.4209,-2.1922;-2.9165,1.2916,1.3208;.223,3.028,-.0222;-2.9463,.4244,2.3306;2.3524,1.9192,-.2618;2.8584,.5021,-.0845;2.619,2.4135,-1.6238;2.1248,-.5355,-.6599;4.0073,.2348,.654;2.5086,-1.8548,-.4683;4.4231,-1.0884,.8169;3.671,-2.1069,.2638;.4712,-2.7059,-1.3238;-.4631,-2.4142,-.3343;.1135,-2.8017,-2.6615;-1.7896,-2.2014,-.7014;-1.2216,-2.5983,-3.0164;-2.1711,-2.2938,-2.0414;-1.0895,.6246,.3663;-1.7499,3.6623,.4797;-3.2158,3.3652,-2.2139;-4.0269,1.8599,-1.7557;-3.8399,3.1673,-.5743;-1.0697,2.181,-2.9481;-.3545,.9442,-1.904;-1.9274,.6603,-2.6495;-3.7708,1.9518,1.2249;2.8285,2.6003,.4462;1.2353,-.3214,-1.2336;4.5717,1.0408,1.1064;5.3098,-1.3373,1.3866;-.1434,-2.338,.6975;.8703,-3.0208,-3.4049;-2.5229,-1.96,.0592;-1.513,-2.6671,-4.0581;-3.2033,-2.1231,-2.3236; Gaussian 16 GINC-HAMILTON24 ALCAMI Optimization Cyfluthrin CONF49 water EM64L-G16RevC.01 135 C1[X(C22H18Cl2FNO3)] 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 0 416.1447031999997 AuxInfo=1/0/N:8;9;10;11;12;13;14;15;16;17;18;19;20;21;22;23;24;25;26;27;28;29;1;2;3;7;4;5;6;30;31;32;33;34;35;36;37;38;39;40;41;42;43;44;45;46;47/rA:47nCl0Cl0F0O0O0O0N0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:-1.6582,-.701,2.7035;-4.3037,.3225,3.4355;4.0539,-3.3966,.4429;.9276,1.8728,-.0327;.7572,4.1198,-.0904;1.8126,-2.9305,-.9719;2.8523,2.774,-2.695;-2.0158,2.0462,-1.0174;-1.8251,1.4177,.3425;-1.2325,2.807,.0639;-3.3542,2.6469,-1.4008;-1.2889,1.4209,-2.1922;-2.9165,1.2916,1.3208;.223,3.028,-.0222;-2.9463,.4244,2.3306;2.3524,1.9192,-.2618;2.8584,.5021,-.0845;2.619,2.4135,-1.6238;2.1248,-.5355,-.6599;4.0073,.2349,.654;2.5086,-1.8548,-.4683;4.4231,-1.0884,.8169;3.671,-2.1069,.2638;.4712,-2.7059,-1.3238;-.4631,-2.4142,-.3343;.1135,-2.8017,-2.6615;-1.7896,-2.2014,-.7014;-1.2216,-2.5983,-3.0164;-2.1711,-2.2938,-2.0414;-1.0895,.6246,.3663;-1.7499,3.6623,.4797;-3.2158,3.3652,-2.2139;-4.0269,1.8599,-1.7557;-3.8399,3.1673,-.5743;-1.0697,2.181,-2.9481;-.3545,.9442,-1.904;-1.9274,.6603,-2.6495;-3.7708,1.9518,1.2249;2.8285,2.6003,.4462;1.2353,-.3214,-1.2336;4.5717,1.0408,1.1064;5.3098,-1.3373,1.3866;-.1434,-2.338,.6975;.8703,-3.0208,-3.4049;-2.5229,-1.96,.0592;-1.513,-2.6671,-4.0581;-3.2033,-2.1231,-2.3236; Optimization Cyfluthrin CONF49 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 19 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 34.9688527 34.9688527 18.9984033 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 3 3 1 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 14.2400000 14.2400000 6.7500000 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 (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 4 4 5 6 6 7 8 8 8 8 9 9 9 10 10 11 11 11 12 12 12 13 13 16 16 16 17 17 19 19 20 20 21 22 22 24 24 25 25 26 26 27 27 28 28 29 15 15 23 14 16 14 21 24 18 9 10 11 12 10 13 30 14 31 32 33 34 35 36 37 15 38 17 18 39 19 20 21 40 22 41 23 23 42 25 26 27 43 28 44 29 45 29 46 47 1.7506 1.7532 1.3572 1.3531 1.4439 1.2174 1.3766 1.4049 1.1541 1.5102 1.5368 1.5163 1.5164 1.5359 1.4711 1.082 1.4746 1.0827 1.0937 1.0944 1.0908 1.0942 1.0878 1.0933 1.3314 1.0839 1.5152 1.4732 1.0918 1.395 1.3916 1.3873 1.0799 1.3966 1.083 1.3967 1.3815 1.083 1.3918 1.388 1.3927 1.0829 1.3964 1.0832 1.3963 1.0837 1.3946 1.0839 1.0837 calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically A1 A2 A3 A4 A5 A6 A7 A8 A9 A10 A11 A12 A13 A14 A15 A16 A17 A18 A19 A20 A21 A22 A23 A24 A25 A26 A27 A28 A29 A30 A31 A32 A33 A34 A35 A36 A37 A38 A39 A40 A41 A42 A43 A44 A45 A46 A47 A48 A49 A50 A51 A52 A53 A54 A55 A56 A57 A58 A59 A60 A61 A62 A63 A64 A65 A66 A67 A68 A69 A70 A71 A72 A73 A74 A75 A76 A77 A78 A79 A80 14 21 9 9 10 10 11 8 8 10 10 13 8 8 9 9 14 8 8 8 32 32 33 8 8 8 35 35 36 9 9 15 4 4 5 1 1 2 4 4 4 17 17 18 16 16 19 17 17 21 17 17 22 6 6 19 20 20 23 3 3 21 6 6 25 24 24 27 24 24 28 25 25 29 26 26 29 27 27 28 4 6 8 8 8 8 8 9 9 9 9 9 10 10 10 10 10 11 11 11 11 11 11 12 12 12 12 12 12 13 13 13 14 14 14 15 15 15 16 16 16 16 16 16 17 17 17 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 29 29 29 16 24 11 12 11 12 12 13 30 13 30 30 14 31 14 31 31 32 33 34 33 34 34 35 36 37 36 37 37 15 38 38 5 10 10 2 13 13 17 18 39 18 39 39 19 20 20 21 40 40 22 41 41 19 23 23 23 42 42 21 22 22 25 26 26 27 43 43 28 44 44 29 45 45 29 46 46 28 47 47 119.187 116.7107 120.2671 117.7427 115.5748 120.3215 112.9929 122.7402 114.2462 118.9782 113.8703 115.2731 122.428 114.6887 121.8032 117.4192 112.0696 109.6634 109.8514 112.9825 107.997 107.8408 108.3636 110.1679 112.7819 109.3241 108.3864 108.1398 107.9114 125.2249 118.2736 116.5015 122.4571 112.7349 124.8045 113.4594 124.3217 122.2159 106.3141 109.6398 110.332 111.2001 111.2164 108.1402 118.1515 121.1589 120.677 120.3262 120.3183 119.3288 119.3158 120.5974 120.0849 123.5512 118.1347 118.3109 119.3227 121.5235 119.1385 118.3885 119.6118 121.9954 119.7583 118.4504 121.7851 118.9446 119.6049 121.4391 118.766 119.694 121.5369 120.2023 119.5755 120.2218 120.3354 119.4766 120.184 119.9617 119.9868 120.0505 calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|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 7 7 18 18 16 16 8 8 -1 -2 181.1879 calculate D2E/DX2 analytically|calculate D2E/DX2 analytically 178.5521 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 16 16 14 14 14 24 24 21 21 11 11 12 12 11 11 12 12 9 9 9 10 10 10 12 12 12 9 9 9 10 10 10 11 11 11 13 13 30 30 8 8 10 10 30 30 8 8 9 9 31 31 9 9 38 38 4 4 18 18 39 39 16 16 20 20 16 16 19 19 17 17 40 40 17 17 41 41 6 6 19 19 20 20 42 42 6 6 26 26 6 6 25 25 24 24 43 43 24 24 44 44 25 25 45 45 26 26 46 46 4 4 4 4 4 6 6 6 6 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 9 9 9 9 9 9 9 9 9 9 10 10 10 10 10 10 13 13 13 13 16 16 16 16 16 16 17 17 17 17 17 17 17 17 19 19 19 19 20 20 20 20 21 21 21 21 22 22 22 22 24 24 24 24 24 24 24 24 25 25 25 25 26 26 26 26 27 27 27 27 28 28 28 28 14 14 16 16 16 21 21 24 24 9 9 9 9 10 10 10 10 11 11 11 11 11 11 11 11 11 12 12 12 12 12 12 12 12 12 10 10 10 10 13 13 13 13 13 13 14 14 14 14 14 14 15 15 15 15 17 17 17 17 17 17 19 19 19 19 20 20 20 20 21 21 21 21 22 22 22 22 23 23 23 23 23 23 23 23 25 25 25 25 26 26 26 26 27 27 27 27 28 28 28 28 29 29 29 29 29 29 29 29 5 10 17 18 39 19 23 25 26 13 30 13 30 14 31 14 31 32 33 34 32 33 34 32 33 34 35 36 37 35 36 37 35 36 37 14 31 14 31 15 38 15 38 15 38 4 5 4 5 4 5 1 2 1 2 19 20 19 20 19 20 21 40 21 40 22 41 22 41 6 23 6 23 23 42 23 42 3 22 3 22 3 21 3 21 27 43 27 43 28 44 28 44 29 45 29 45 29 46 29 46 28 47 28 47 27 47 27 47 -6.1291 173.219 174.8105 -64.8899 54.1078 -20.0888 160.5672 -66.6299 114.2576 3.2403 151.0481 -141.64 6.1678 -137.9705 3.4721 3.4341 144.8767 158.5842 -82.8715 38.2564 89.2046 -152.251 -31.1231 -54.9956 63.5488 -175.3233 -150.8283 -29.582 90.4684 -80.4813 40.7651 160.8155 61.8381 -176.9155 -56.8651 135.3137 -9.7467 -5.833 -150.8933 158.4906 -21.5881 -129.6424 50.2789 10.9827 -169.096 -61.6302 117.6998 9.3077 -171.3622 156.0388 -24.6311 1.8003 -178.8775 -178.1223 1.2 43.8879 -134.8246 -75.3971 105.8904 164.019 -14.6934 -176.6938 1.4118 2.0252 -179.8693 178.6304 -0.8611 -0.0496 -179.5412 178.0509 -2.6062 -0.0733 179.2696 -1.2599 -179.822 178.2344 -0.3278 -0.0863 -179.3238 -179.4653 1.2972 -178.5899 0.6386 0.0069 179.2354 -179.6705 1.5373 -0.5885 -179.3808 179.1125 -1.5071 0.019 179.3993 0.6137 -179.1484 179.3829 -0.3792 0.5286 179.8021 -178.8398 0.4337 -0.0796 -179.7233 179.6809 0.0372 -0.5006 179.1428 -179.7689 -0.1254 calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|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. 0.00113 0.00145 0.00201 0.00220 0.00236 0.00603 0.01286 0.01540 0.01616 0.01725 0.01733 0.01784 0.01800 0.01849 0.01860 0.01947 0.02015 0.02085 0.02139 0.02226 0.02250 0.02271 0.02486 0.02534 0.02628 0.02654 0.02879 0.02914 0.02928 0.02965 0.03116 0.03456 0.03624 0.04022 0.04359 0.04416 0.04537 0.04628 0.05106 0.05815 0.06091 0.06393 0.06553 0.07502 0.07732 0.09577 0.09792 0.10532 0.10618 0.10876 0.10973 0.11295 0.11791 0.11852 0.12049 0.12125 0.12217 0.12332 0.12361 0.12483 0.13120 0.13593 0.13692 0.14423 0.14822 0.15494 0.16023 0.16836 0.17451 0.17877 0.18140 0.18742 0.18813 0.19053 0.19365 0.19414 0.19790 0.20549 0.20993 0.21381 0.21901 0.22339 0.23087 0.23947 0.25068 0.26191 0.26868 0.28045 0.28790 0.29522 0.29788 0.30009 0.30818 0.31844 0.32405 0.33027 0.33120 0.33537 0.33602 0.33836 0.34375 0.34477 0.35125 0.35269 0.35421 0.35679 0.35696 0.35864 0.35892 0.35981 0.36010 0.36022 0.36049 0.36228 0.36480 0.36947 0.37495 0.39830 0.40046 0.40928 0.42165 0.44000 0.44235 0.46214 0.46577 0.46673 0.47440 0.50768 0.51303 0.54814 0.58287 0.63360 0.79322 1.17218 1.20756 Angle between quadratic step and forces= 80.31 degrees. 1 2 0.00051000 0.00000063 0.00000007 0.00000000 R1 R2 R3 R4 R5 R6 R7 R8 R9 R10 R11 R12 R13 R14 R15 R16 R17 R18 R19 R20 R21 R22 R23 R24 R25 R26 R27 R28 R29 R30 R31 R32 R33 R34 R35 R36 R37 R38 R39 R40 R41 R42 R43 R44 R45 R46 R47 R48 R49 A1 A2 A3 A4 A5 A6 A7 A8 A9 A10 A11 A12 A13 A14 A15 A16 A17 A18 A19 A20 A21 A22 A23 A24 A25 A26 A27 A28 A29 A30 A31 A32 A33 A34 A35 A36 A37 A38 A39 A40 A41 A42 A43 A44 A45 A46 A47 A48 A49 A50 A51 A52 A53 A54 A55 A56 A57 A58 A59 A60 A61 A62 A63 A64 A65 A66 A67 A68 A69 A70 A71 A72 A73 A74 A75 A76 A77 A78 A79 A80 A81 A82 D1 D2 D3 D4 D5 D6 D7 D8 D9 D10 D11 D12 D13 D14 D15 D16 D17 D18 D19 D20 D21 D22 D23 D24 D25 D26 D27 D28 D29 D30 D31 D32 D33 D34 D35 D36 D37 D38 D39 D40 D41 D42 D43 D44 D45 D46 D47 D48 D49 D50 D51 D52 D53 D54 D55 D56 D57 D58 D59 D60 D61 D62 D63 D64 D65 D66 D67 D68 D69 D70 D71 D72 D73 D74 D75 D76 D77 D78 D79 D80 D81 D82 D83 D84 D85 D86 D87 D88 D89 D90 D91 D92 D93 D94 D95 D96 D97 D98 D99 D100 D101 D102 D103 D104 D105 D106 D107 D108 D109 3.30824 3.31315 2.56478 2.55706 2.72857 2.30060 2.60135 2.65491 2.18088 2.85386 2.90415 2.86532 2.86565 2.90241 2.77993 2.04472 2.78661 2.04599 2.06670 2.06819 2.06131 2.06766 2.05566 2.06606 2.51604 2.04828 2.86323 2.78392 2.06312 2.63612 2.62979 2.62157 2.04065 2.63922 2.04653 2.63939 2.61071 2.04649 2.63012 2.62289 2.63187 2.04633 2.63884 2.04701 2.63858 2.04794 2.63540 2.04819 2.04782 2.08021 2.03699 2.09906 2.05500 2.01716 2.10001 1.97210 2.14222 1.99397 2.07656 1.98741 2.01190 2.13677 2.00169 2.12587 2.04935 1.95598 1.91399 1.91727 1.97192 1.88490 1.88218 1.89130 1.92279 1.96842 1.90807 1.89170 1.88740 1.88341 2.18559 2.06426 2.03334 2.13728 1.96759 2.17825 1.98024 2.16982 2.13307 1.85553 1.91358 1.92566 1.94081 1.94109 1.88740 2.06213 2.11462 2.10621 2.10009 2.09995 2.08268 2.08245 2.10482 2.09588 2.15638 2.06184 2.06492 2.08257 2.12098 2.07936 2.06627 2.08762 2.12922 2.09018 2.06735 2.12555 2.07598 2.08750 2.11951 2.07286 2.08905 2.12122 2.09793 2.08699 2.09827 2.10025 2.08526 2.09761 2.09373 2.09417 2.09528 3.16233 3.11632 -0.10697 3.02324 3.05102 -1.13254 0.94436 -0.35062 2.80243 -1.16291 1.99417 0.05655 2.63629 -2.47209 0.10765 -2.40804 0.06060 0.05994 2.52858 2.76782 -1.44638 0.66770 1.55691 -2.65728 -0.54320 -0.95985 1.10914 -3.05997 -2.63245 -0.51630 1.57897 -1.40466 0.71148 2.80676 1.07928 -3.08776 -0.99248 2.36167 -0.17011 -0.10180 -2.63359 2.76618 -0.37678 -2.26269 0.87753 0.19168 -2.95128 -1.07565 2.05425 0.16245 -2.99083 2.72339 -0.42989 0.03142 -3.12200 -3.10882 0.02094 0.76599 -2.35313 -1.31593 1.84814 2.86267 -0.25645 -3.08389 0.02464 0.03535 -3.13931 3.11769 -0.01503 -0.00087 -3.13359 3.10757 -0.04549 -0.00128 3.12884 -0.02199 -3.13849 3.11078 -0.00572 -0.00151 -3.12979 -3.13226 0.02264 -3.11698 0.01115 0.00012 3.12825 -3.13584 0.02683 -0.01027 -3.13078 3.12610 -0.02630 0.00033 3.13111 0.01071 -3.12673 3.13082 -0.00662 0.00923 3.13814 -3.12134 0.00757 -0.00139 -3.13676 3.13602 0.00065 -0.00874 3.12663 -3.13756 -0.00219 0.00000 -0.00000 0.00000 0.00000 0.00001 0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00001 0.00000 0.00000 -0.00000 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 0.00001 -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 -0.00001 -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 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 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 0.00001 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 0.00001 0.00001 0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00001 -0.00000 0.00001 0.00001 0.00004 0.00000 -0.00002 0.00001 0.00000 0.00003 0.00001 0.00000 -0.00000 -0.00004 0.00001 0.00000 0.00001 -0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00001 0.00001 0.00000 0.00002 -0.00001 -0.00000 -0.00000 0.00001 -0.00000 0.00002 -0.00001 0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00001 0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00004 0.00000 -0.00001 -0.00000 0.00002 -0.00001 0.00001 -0.00003 0.00001 -0.00002 0.00003 0.00000 -0.00013 0.00002 0.00006 0.00002 0.00000 -0.00000 0.00001 -0.00001 0.00000 -0.00000 0.00001 0.00001 0.00000 -0.00001 0.00001 -0.00000 -0.00001 0.00002 -0.00001 -0.00001 0.00000 0.00002 -0.00002 0.00000 -0.00001 0.00001 0.00001 -0.00001 -0.00001 -0.00000 0.00003 -0.00001 -0.00001 0.00001 0.00001 0.00000 -0.00003 0.00002 -0.00001 0.00001 -0.00000 0.00006 -0.00004 -0.00002 0.00000 0.00000 -0.00000 -0.00002 0.00000 0.00001 -0.00006 0.00005 0.00001 -0.00000 -0.00001 0.00001 -0.00001 0.00001 -0.00000 -0.00001 0.00000 0.00001 0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00002 -0.00001 -0.00020 -0.00025 0.00017 0.00016 0.00013 0.00082 0.00075 -0.00080 -0.00090 -0.00002 -0.00005 -0.00002 -0.00005 0.00012 -0.00004 0.00015 -0.00001 0.00015 0.00015 0.00016 0.00017 0.00017 0.00018 0.00015 0.00015 0.00016 0.00028 0.00030 0.00028 0.00025 0.00027 0.00025 0.00029 0.00031 0.00029 0.00021 0.00005 0.00018 0.00002 -0.00028 -0.00030 -0.00029 -0.00031 -0.00025 -0.00027 -0.00031 -0.00036 -0.00031 -0.00037 -0.00016 -0.00021 0.00001 -0.00007 0.00003 -0.00005 0.00011 0.00010 0.00012 0.00011 0.00011 0.00011 -0.00003 0.00001 -0.00003 0.00001 0.00003 0.00000 0.00003 0.00000 -0.00007 0.00000 -0.00011 -0.00003 -0.00001 -0.00002 0.00002 0.00001 0.00007 0.00009 0.00000 0.00002 0.00000 -0.00002 0.00001 -0.00001 -0.00010 -0.00007 0.00000 0.00004 0.00010 0.00009 -0.00001 -0.00002 -0.00000 0.00004 -0.00004 0.00001 0.00001 -0.00000 0.00002 0.00001 0.00001 0.00002 -0.00004 -0.00003 -0.00001 -0.00002 0.00000 -0.00001 0.00001 -0.00000 0.00001 0.00001 0.00004 0.00000 -0.00002 0.00001 0.00000 0.00003 0.00001 0.00000 -0.00000 -0.00004 0.00001 0.00000 0.00001 -0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00001 0.00001 0.00000 0.00002 -0.00001 -0.00000 -0.00000 0.00001 -0.00000 0.00002 -0.00001 0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00001 0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00004 0.00000 -0.00001 -0.00000 0.00002 -0.00001 0.00001 -0.00003 0.00001 -0.00002 0.00003 0.00000 -0.00013 0.00002 0.00006 0.00002 0.00000 -0.00000 0.00001 -0.00001 0.00000 -0.00000 0.00001 0.00001 0.00000 -0.00001 0.00001 -0.00000 -0.00001 0.00002 -0.00001 -0.00001 0.00000 0.00002 -0.00002 0.00000 -0.00001 0.00001 0.00001 -0.00001 -0.00001 -0.00000 0.00003 -0.00001 -0.00001 0.00001 0.00001 0.00000 -0.00003 0.00002 -0.00001 0.00001 -0.00000 0.00006 -0.00004 -0.00002 0.00000 0.00000 -0.00000 -0.00002 0.00000 0.00001 -0.00006 0.00005 0.00001 -0.00000 -0.00001 0.00001 -0.00001 0.00001 -0.00000 -0.00001 0.00000 0.00001 0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00002 -0.00001 -0.00020 -0.00025 0.00017 0.00016 0.00013 0.00082 0.00075 -0.00080 -0.00090 -0.00002 -0.00005 -0.00002 -0.00005 0.00012 -0.00004 0.00015 -0.00001 0.00015 0.00015 0.00016 0.00017 0.00017 0.00018 0.00015 0.00015 0.00016 0.00028 0.00030 0.00028 0.00025 0.00027 0.00025 0.00029 0.00031 0.00029 0.00021 0.00005 0.00018 0.00002 -0.00028 -0.00030 -0.00029 -0.00031 -0.00025 -0.00027 -0.00031 -0.00036 -0.00031 -0.00037 -0.00016 -0.00021 0.00001 -0.00007 0.00003 -0.00005 0.00011 0.00010 0.00012 0.00011 0.00011 0.00011 -0.00003 0.00001 -0.00003 0.00001 0.00003 0.00000 0.00003 0.00000 -0.00007 0.00000 -0.00011 -0.00003 -0.00001 -0.00002 0.00002 0.00001 0.00007 0.00009 0.00000 0.00002 0.00000 -0.00002 0.00001 -0.00001 -0.00010 -0.00007 0.00000 0.00004 0.00010 0.00009 -0.00001 -0.00002 -0.00000 0.00004 -0.00004 0.00001 0.00001 -0.00000 0.00002 0.00001 0.00001 0.00002 -0.00004 -0.00003 -0.00001 -0.00002 0.00000 -0.00001 3.30825 3.31314 2.56479 2.55707 2.72861 2.30060 2.60133 2.65492 2.18088 2.85389 2.90416 2.86532 2.86565 2.90237 2.77995 2.04472 2.78662 2.04599 2.06670 2.06820 2.06131 2.06766 2.05566 2.06606 2.51604 2.04828 2.86322 2.78394 2.06313 2.63614 2.62978 2.62156 2.04065 2.63923 2.04653 2.63941 2.61070 2.04649 2.63012 2.62289 2.63187 2.04634 2.63884 2.04701 2.63858 2.04794 2.63540 2.04819 2.04782 2.08017 2.03699 2.09905 2.05500 2.01718 2.10000 1.97211 2.14219 1.99399 2.07654 1.98745 2.01190 2.13664 2.00171 2.12593 2.04937 1.95599 1.91398 1.91727 1.97191 1.88490 1.88218 1.89131 1.92280 1.96842 1.90806 1.89171 1.88740 1.88340 2.18561 2.06425 2.03332 2.13728 1.96761 2.17823 1.98024 2.16982 2.13307 1.85554 1.91356 1.92564 1.94081 1.94112 1.88739 2.06212 2.11463 2.10622 2.10009 2.09992 2.08270 2.08244 2.10483 2.09588 2.15643 2.06180 2.06490 2.08258 2.12099 2.07936 2.06625 2.08762 2.12923 2.09012 2.06740 2.12556 2.07598 2.08749 2.11952 2.07285 2.08907 2.12122 2.09792 2.08699 2.09827 2.10025 2.08526 2.09761 2.09373 2.09416 2.09527 3.16234 3.11631 -0.10717 3.02299 3.05118 -1.13238 0.94449 -0.34979 2.80318 -1.16371 1.99327 0.05654 2.63624 -2.47210 0.10760 -2.40792 0.06056 0.06009 2.52857 2.76797 -1.44623 0.66786 1.55709 -2.65711 -0.54302 -0.95970 1.10929 -3.05981 -2.63217 -0.51600 1.57926 -1.40441 0.71176 2.80701 1.07956 -3.08745 -0.99220 2.36188 -0.17006 -0.10162 -2.63356 2.76590 -0.37708 -2.26298 0.87722 0.19144 -2.95155 -1.07596 2.05389 0.16214 -2.99120 2.72323 -0.43011 0.03143 -3.12207 -3.10879 0.02089 0.76609 -2.35303 -1.31581 1.84825 2.86278 -0.25634 -3.08392 0.02465 0.03532 -3.13930 3.11772 -0.01503 -0.00084 -3.13358 3.10750 -0.04549 -0.00139 3.12881 -0.02200 -3.13850 3.11080 -0.00571 -0.00143 -3.12970 -3.13226 0.02266 -3.11698 0.01113 0.00013 3.12824 -3.13594 0.02676 -0.01027 -3.13075 3.12620 -0.02622 0.00032 3.13109 0.01071 -3.12669 3.13079 -0.00661 0.00923 3.13814 -3.12132 0.00758 -0.00138 -3.13675 3.13598 0.00062 -0.00875 3.12661 -3.13756 -0.00220 |Maximum Force|RMS Force|Maximum Displacement|RMS Displacement| 0.000013 0.000002 0.002066 0.000510 0.000450 0.000300 0.001800 0.001200 YES YES NO YES -7.016378e-09 6-311+G(d,p) (5D, 7F) 0.10000e-02 0.10000e-05 F 791 A 762 A 762 1222 791 112 112 3111.8177115013 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 -0.0615927832 PCM SMD-Coulomb. Total charges None Matrix inversion Water 78.355300 1.777849 0.000000 2.929571 0.000000 6.708538 9.624846 0.000000 4.560403 6.465147 6.145491 0.000000 6.072894 7.243225 8.224906 2.254167 0.000000 5.525018 8.210797 2.691186 4.973634 7.183116 0.000000 7.846248 9.736590 7.026147 3.406553 3.603394 6.049018 0.000000 4.638986 5.294701 8.282417 3.108609 3.584551 6.279027 5.200252 0.000000 3.176673 4.112112 7.599431 2.815188 3.762580 5.819623 5.739701 1.510199 0.000000 4.410769 5.193562 8.159301 2.355365 2.388715 6.577538 4.929265 1.536812 1.535890 0.000000 5.561533 5.449270 9.736717 4.561186 4.559589 7.614935 6.341224 1.516261 2.624513 2.583155 0.000000 5.348540 6.478181 7.661444 3.127371 3.985978 5.481128 4.385526 1.516436 2.590828 2.648483 2.528819 0.000000 2.732383 2.708405 8.446140 4.116647 4.846273 6.741478 7.183536 2.616832 1.471078 2.590809 3.071739 3.873904 0.000000 4.987308 6.306019 7.494521 1.353140 1.217426 6.239564 3.757909 2.639454 2.630701 1.474611 3.852502 3.094746 3.830783 0.000000 1.750645 1.753241 8.195488 4.763363 5.764800 6.693954 8.024992 3.834733 2.489217 3.708363 4.362304 4.918932 1.331429 4.728443 0.000000 5.634135 7.779711 5.625793 1.443898 2.723369 4.931000 2.626937 4.434936 4.250723 3.707504 5.864468 4.151335 5.537178 2.412760 6.085326 0.000000 5.442357 7.982354 4.111829 2.368463 4.183645 3.696417 3.460725 5.197369 4.791247 4.697829 6.702911 4.741999 5.995633 3.650957 6.287477 1.515157 0.000000 6.835204 8.825711 6.331466 2.384325 2.954503 5.443636 1.154072 4.688789 4.960703 4.223398 5.981931 4.071880 6.369587 2.946850 7.111000 1.473188 2.465838 0.000000 5.064701 7.670410 3.622614 2.761726 4.885391 2.435239 3.952688 4.892670 4.519125 4.792489 6.379387 4.222427 5.716390 4.089330 5.964970 2.497213 1.394975 3.141682 0.000000 6.097013 8.764543 3.637876 3.555128 5.119556 4.180803 4.358532 6.507859 5.959295 5.866758 8.014430 6.128336 7.035650 4.751810 7.155320 2.532641 1.391623 3.444095 2.421454 0.000000 5.362232 8.147891 2.365459 4.072449 6.237506 1.376574 5.148054 5.999160 5.490756 6.000954 7.450343 5.303121 6.521729 5.409722 6.540966 3.782907 2.413452 4.423362 1.387274 2.805762 0.000000 6.378936 9.219806 2.367208 4.659317 6.433310 3.661574 5.451512 7.392554 6.748775 6.908425 8.908229 6.926580 7.732283 5.940519 7.673786 3.807506 2.406317 4.634097 2.787207 1.396613 2.429854 0.000000 6.027319 8.919517 1.357224 4.842771 6.883849 2.378864 5.766116 7.157501 6.529689 6.944801 8.644257 6.563379 7.487499 6.191745 7.380190 4.269004 2.754699 5.010359 2.390223 2.397701 1.396705 1.381528 0.000000 4.977272 7.390686 4.053967 4.779134 6.942144 1.404919 6.130176 5.372276 5.005417 5.934669 6.579673 4.569719 5.869476 5.885016 5.901923 5.104751 4.186404 5.559829 2.808162 5.006367 2.367984 4.776633 3.621957 0.000000 3.686677 6.037517 4.687476 4.517039 6.651467 2.419083 6.594104 4.772097 4.122770 5.292611 5.925480 4.340738 4.742572 5.494152 4.617978 5.168249 4.427109 5.871052 3.214455 5.289444 3.026826 5.192030 4.188427 1.391800 0.000000 6.027892 8.151483 5.051544 5.424457 7.411627 2.399627 6.212112 5.544307 5.530504 6.379443 6.580441 4.474090 6.464943 6.400275 6.685181 5.749609 5.009036 5.878179 3.631402 5.947625 3.382761 5.797104 4.657917 1.387974 2.428714 0.000000 3.723147 5.459386 6.073267 4.942654 6.842339 3.685209 7.090603 4.265368 3.766891 5.097120 5.142371 3.949016 4.190538 5.644348 4.174435 5.859110 5.412329 6.448625 4.254369 6.432427 4.318436 6.491605 5.546067 2.398545 1.392725 2.797222 0.000000 6.042156 7.723825 6.358898 5.788983 7.590101 3.673811 6.749903 5.118363 5.270192 6.221366 5.888140 4.103363 6.067558 6.535062 6.379783 6.385048 5.903799 6.465913 4.583275 6.988518 4.578207 6.988267 5.910949 2.396222 2.793386 1.396412 2.416499 0.000000 5.031270 6.433435 6.792515 5.567475 7.315377 4.173589 7.165436 4.461800 4.424678 5.597406 5.120613 3.820969 4.971392 6.174911 5.206104 6.432539 6.077947 6.728888 4.842960 7.199329 4.956437 7.287290 6.283204 2.768762 2.417803 2.421158 1.396274 1.394596 0.000000 2.746493 4.454490 6.529240 2.405378 3.979356 4.780357 5.434067 2.189418 1.082019 2.207878 3.512996 2.686949 2.166556 2.765809 2.710386 3.730601 3.975428 4.573170 3.568067 5.119752 4.448657 5.790169 5.489460 4.047784 3.180839 4.728066 3.101062 4.674076 3.934891 0.000000 4.898225 5.139390 9.138623 3.260946 2.611480 7.633077 5.661079 2.219007 2.250045 1.082694 2.672257 3.517888 2.772872 2.132241 3.916825 4.518562 5.616204 5.007171 5.825337 6.702469 7.033684 7.796740 7.919398 6.981429 6.264433 7.424520 5.981676 7.190058 6.481373 3.110754 0.000000 6.568150 6.508215 10.277576 4.914481 4.567625 8.152433 6.115740 2.147349 3.501641 3.071385 1.093651 2.737436 4.108902 4.091733 5.419709 6.075033 7.044648 5.941296 6.793550 8.378291 7.941275 9.347292 9.138396 7.158458 6.671695 7.022463 5.942119 6.339022 5.757141 4.323064 3.080970 0.000000 5.661571 5.421119 9.887570 5.245500 5.546826 7.593539 7.002886 2.150324 3.073348 3.466475 1.094442 2.807112 3.319703 4.736070 4.463880 6.552110 7.214098 6.670221 6.691951 8.543676 7.626860 9.311928 8.892206 6.423832 5.743633 6.300351 4.755178 5.416131 4.558387 3.828407 3.664688 1.770171 0.000000 5.519769 4.938275 10.316589 4.969679 4.719586 8.324183 7.031153 2.186425 2.821484 2.708467 1.090800 3.489306 2.821740 4.102556 4.093989 6.324552 7.225658 6.586905 7.021136 8.466744 8.095459 9.398036 9.215925 7.324054 6.527948 7.457575 5.748349 6.786849 5.895827 3.861944 2.392467 1.765474 1.771966 0.000000 6.371263 7.393451 8.298234 3.547384 3.906785 6.191966 3.974652 2.154265 3.461413 3.080662 2.798189 1.094156 4.735521 3.309008 5.871284 4.358395 5.142893 3.926188 4.777091 6.522142 5.936493 7.418563 7.153834 5.375367 5.321306 5.129310 4.977148 4.782188 4.696684 3.661687 3.795605 2.558668 3.204622 3.779086 0.000000 5.063153 6.670324 6.617024 2.451129 3.822244 4.536329 3.775891 2.181841 2.726517 2.848426 3.485756 1.087808 4.133285 2.866538 4.991945 3.312829 3.718733 3.328582 3.143966 5.106035 4.253621 5.861746 5.496692 3.787029 3.708753 3.850287 3.660726 3.812919 3.715256 2.407623 3.875232 3.760836 3.787704 4.342607 1.769565 0.000000 5.529919 6.541258 7.861111 4.058157 5.071890 5.449327 5.226373 2.142935 3.088075 3.528988 2.746226 1.093312 4.140055 4.139175 5.088726 5.059867 5.432105 4.979537 4.669963 6.805412 5.546269 7.443219 6.891047 4.340674 4.117864 4.018806 3.464613 3.354228 3.025819 3.130188 4.339987 3.027560 2.577970 3.774833 1.771267 1.763575 0.000000 3.699588 2.797376 9.510180 4.864412 5.189700 7.735480 7.739959 2.849011 2.202157 2.919335 2.747955 4.256594 1.083903 4.320126 2.058026 6.301214 6.911022 7.011298 6.670696 7.985759 7.535811 8.749235 8.530965 6.795949 5.695135 7.265580 4.988529 6.722394 5.590419 3.112565 2.750506 3.759117 2.992978 2.172417 4.976187 4.740950 4.480769 0.000000 6.010338 8.061829 6.120777 2.090990 2.624398 5.799325 3.146132 5.090914 4.802699 4.084197 6.452893 5.030454 5.956785 2.681683 6.452411 1.091758 2.164464 2.088953 3.398851 2.650982 4.559243 4.035640 4.785419 6.070075 6.048893 6.797851 6.760230 7.444360 7.425344 4.388715 4.700143 6.647949 7.238307 6.769859 5.185934 4.289310 5.997149 6.676692 0.000000 4.900715 7.272964 4.495757 2.520235 4.610845 2.684921 3.785753 4.027698 3.856839 4.190519 5.468334 3.213452 5.134648 3.702828 5.544853 2.685616 2.152423 3.089786 1.079866 3.399394 2.134997 3.867072 3.370860 2.505559 2.841323 3.073966 3.601099 3.794614 4.018224 2.976478 5.264714 5.862102 5.720274 6.193849 3.809870 2.139836 3.601553 6.022723 3.727785 0.000000 6.662996 9.203979 4.516533 3.907557 5.046029 5.263344 4.517807 6.994024 6.453261 6.155799 8.466665 6.735798 7.495454 4.912588 7.641847 2.751110 2.154920 3.626384 3.404685 1.082976 3.888548 2.154006 3.380705 6.062841 6.273878 6.988354 7.365187 7.987646 8.154266 5.724499 6.872206 8.778999 9.099272 8.837456 7.040178 5.773997 7.515896 8.392890 2.430232 4.296771 0.000000 7.119786 9.968571 2.590073 5.614522 7.258602 4.508980 6.292963 8.419728 7.719285 7.856559 9.935181 7.997355 8.636413 6.849518 8.494519 4.697666 3.399504 5.510976 3.869760 2.169079 3.399289 1.082956 2.130355 5.712421 6.119407 6.747796 7.450341 7.977196 8.284241 6.770603 8.698156 10.380829 10.357070 10.385226 8.477395 6.936684 8.523879 9.659263 4.748165 4.949590 2.505755 0.000000 2.999738 5.646550 4.336208 4.405785 6.567708 2.638932 6.827539 5.066358 4.130360 5.297029 6.289812 4.877688 4.610095 5.426393 4.260762 5.027212 4.205691 5.966229 3.199391 4.883554 2.936896 4.735801 3.845896 2.144487 1.082874 3.400598 2.164619 3.876012 3.408050 3.127599 6.215493 7.102236 6.222712 6.752049 5.879622 4.193474 4.834718 5.642603 5.769027 3.113897 5.815071 5.586861 0.000000 7.006277 9.205447 5.008236 5.943345 7.873225 2.610664 6.165418 6.301180 6.403895 7.100582 7.347561 5.085466 7.434381 6.960641 7.702760 6.039837 5.233442 5.980199 3.909657 6.075735 3.559113 5.846334 4.705220 2.142295 3.402170 1.083231 3.880182 2.169267 3.411448 5.599315 8.162152 7.674363 7.108059 8.275987 5.570627 4.412995 4.684918 8.228182 7.089642 3.483516 7.109786 6.745508 4.280624 0.000000 3.053759 4.447559 6.742845 5.157978 6.909800 4.560918 7.673901 4.179174 3.460671 4.938578 4.903705 4.245224 3.509929 5.694412 3.320253 6.238588 5.919518 6.956973 4.914025 6.914795 5.060169 7.041327 6.199050 3.381363 2.145708 3.880915 1.083724 3.399983 2.155772 2.971381 5.690780 5.831294 4.488572 5.331512 5.320085 4.121934 3.815384 4.268315 7.041583 4.298890 7.773971 7.968750 2.492516 4.963806 0.000000 7.043142 8.536961 7.195979 6.540016 8.182853 4.544633 7.107750 5.631509 6.012399 6.858264 6.220162 4.499325 6.824506 7.192835 7.240668 7.098431 6.703952 6.986635 5.415265 7.816564 5.451591 7.841849 6.772539 3.378552 3.877238 2.148072 3.400123 1.083857 2.153970 5.530824 7.791648 6.533692 5.667004 7.182761 4.993327 4.361649 3.636977 7.371737 8.178258 4.586258 8.800245 8.829715 4.959823 2.496419 4.297854 0.000000 5.448112 6.352917 7.870373 6.187092 7.723138 5.257227 7.796778 4.527614 4.641693 5.821567 4.860850 4.030188 5.002445 6.600749 5.312055 7.173370 6.974916 7.414208 5.803200 8.149741 6.011644 8.312312 7.345161 3.852388 3.398675 3.402362 2.153225 2.152390 1.083657 4.387903 6.591087 5.489393 4.106776 5.608407 4.844349 4.207148 3.079200 5.433178 8.146514 4.912812 9.067828 9.319644 4.305408 4.309235 2.483379 2.482192 0.000000 C22H18Cl2FNO3 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 0 416.1447031999997 AuxInfo=1/0/N:8;9;10;11;12;13;14;15;16;17;18;19;20;21;22;23;24;25;26;27;28;29;1;2;3;7;4;5;6;30;31;32;33;34;35;36;37;38;39;40;41;42;43;44;45;46;47/rA:47nCl0Cl0F0O0O0O0N0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:2.0255,-1.6367,-1.9945;4.9514,-1.5283,-1.896;-4.642,-2.2138,-1.5303;-.2825,1.9813,-.4516;.5677,4.0682,-.508;-2.8769,-2.1539,.5004;-2.5028,3.8218,1.3616;2.1479,1.496,1.4248;2.1682,.7228,.1277;1.9932,2.2484,.0937;3.4372,1.7579,2.1787;.9542,1.3071,2.3407;3.3962,.1337,-.4283;.7236,2.876,-.3169;3.4389,-.8667,-1.3058;-1.6212,2.4598,-.7044;-2.4768,1.2302,-.9318;-2.0977,3.2335,.4551;-2.3092,.1437,-.0731;-3.3868,1.1705,-1.983;-3.0193,-1.0297,-.2812;-4.1354,.0071,-2.1742;-3.9384,-1.0702,-1.3321;-1.6951,-2.254,1.2534;-.4733,-2.4064,.6046;-1.788,-2.2157,2.6378;.6869,-2.5109,1.3679;-.6194,-2.3335,3.3932;.616,-2.4755,2.7619;1.2588,.1732,-.0762;2.852,2.8424,-.1925;3.3057,2.614,2.8463;3.693,.8876,2.791;4.2794,1.974,1.5199;.7795,2.2155,2.925;.0418,1.0666,1.7993;1.1579,.4887,3.0364;4.3498,.5371,-.1078;-1.6312,3.1151,-1.5776;-1.6029,.1971,.7421;-3.5106,2.0121,-2.6534;-4.8512,-.0792,-2.9822;-.4406,-2.4216,-.4777;-2.7555,-2.0859,3.1073;1.6452,-2.6159,.8729;-.6782,-2.3018,4.475;1.5214,-2.5526,3.3524; 0.1692205 0.1139286 0.0974891 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= 762 RedAO= T EigKep= 1.08D-06 NBF= 762 NBsUse= 760 1.00D-06 EigRej= 6.21D-07 NBFU= 760 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= 781 781 781 781 781 MxSgAt= 47 MxSgA2= 47. 1 Closed 1 1 1 -2150.22440939458 -2150.22440939 1 2.143019093112e+03 -1.127770497164e+04 3.872687521936e+03 Using DIIS extrapolation, IDIIS= 1040. NGot= 1415577600 LenX= 1414311438 LenY= 1413684966 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. 14504 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= 770000000 NMat= 141 IRICut= 352 DoRegI=T DoRafI=T ISym2E= 2 IDoP0=3 IntGTp=3. There are 144 degrees of freedom in the 1st order CPHF. IDoFFX=6 NUNeed= 3. 141 vectors produced by pass 0 Test12= 7.26D-14 1.00D-09 XBig12= 3.00D+02 5.71D+00. AX will form 141 AO Fock derivatives at one time. 141 vectors produced by pass 1 Test12= 7.26D-14 1.00D-09 XBig12= 5.71D+01 9.67D-01. 141 vectors produced by pass 2 Test12= 7.26D-14 1.00D-09 XBig12= 7.16D-01 6.73D-02. 141 vectors produced by pass 3 Test12= 7.26D-14 1.00D-09 XBig12= 4.18D-03 7.10D-03. 141 vectors produced by pass 4 Test12= 7.26D-14 1.00D-09 XBig12= 1.41D-05 2.83D-04. 136 vectors produced by pass 5 Test12= 7.26D-14 1.00D-09 XBig12= 2.66D-08 1.38D-05. 65 vectors produced by pass 6 Test12= 7.26D-14 1.00D-09 XBig12= 4.22D-11 4.85D-07. 3 vectors produced by pass 7 Test12= 7.26D-14 1.00D-09 XBig12= 6.27D-14 2.19D-08. InvSVY: IOpt=1 It= 1 EMax= 2.13D-14 Solved reduced A of dimension 909 with 144 vectors. FullF1: Do perturbations 1 to 3. Isotropic polarizability for W= 0.000000 422.23 Bohr**3. End of Minotr F.D. properties file 721 does not exist. 429.971 -14.524 411.417 32.779 14.600 425.298 447.456 -5.841 436.950 29.397 20.262 453.956 (Enter /usr/local/gaussian/gaussian16/g16/l716.exe) PT163842.700S 2024-09-22T12:31:59.000 -101.57396 -101.57285 -24.70530 -19.19329 -19.18060 -19.13375 -14.33637 -10.32678 -10.29336 -10.28885 -10.27292 -10.25932 -10.24332 -10.23616 -10.20939 -10.20934 -10.20182 -10.20033 -10.19988 -10.19359 -10.19200 -10.19198 -10.18234 -10.18229 -10.18175 -10.18172 -10.17769 -10.16043 -10.15785 -9.48863 -9.48719 -7.25339 -7.25206 -7.24332 -7.24302 -7.24182 -7.24163 -1.24276 -1.13488 -1.09549 -1.04590 -0.93581 -0.92460 -0.89628 -0.88806 -0.86582 -0.84455 -0.82141 -0.77965 -0.77472 -0.75926 -0.75740 -0.74293 -0.72946 -0.69353 -0.67477 -0.65925 -0.63399 -0.62303 -0.61919 -0.60293 -0.58348 -0.56861 -0.55808 -0.55590 -0.54711 -0.51944 -0.51241 -0.50804 -0.50294 -0.49242 -0.49067 -0.48598 -0.47700 -0.47466 -0.45993 -0.45626 -0.45344 -0.44269 -0.43931 -0.43425 -0.43019 -0.42200 -0.41655 -0.41242 -0.41131 -0.40438 -0.40011 -0.39317 -0.39231 -0.38572 -0.38049 -0.37728 -0.37421 -0.37052 -0.36473 -0.35988 -0.35432 -0.35209 -0.34519 -0.34224 -0.33941 -0.33810 -0.33415 -0.32288 -0.30974 -0.28950 -0.27418 -0.26530 -0.26297 -0.24755 -0.24334 -0.04377 -0.03656 -0.02898 -0.02304 -0.01899 -0.01668 -0.01102 -0.00068 0.00126 0.00883 0.00970 0.01526 0.01830 0.02037 0.02561 0.03006 0.03413 0.03652 0.03868 0.04311 0.04627 0.05295 0.05357 0.05745 0.06160 0.06559 0.06803 0.07076 0.07288 0.07894 0.08172 0.08349 0.08778 0.08904 0.09198 0.09580 0.09839 0.09911 0.10320 0.10525 0.10741 0.10968 0.11363 0.11513 0.11946 0.12063 0.12397 0.12414 0.12749 0.12886 0.13035 0.13597 0.13773 0.13879 0.14322 0.14375 0.14555 0.14949 0.15272 0.15486 0.15645 0.15912 0.16229 0.16541 0.16715 0.16886 0.17184 0.17528 0.18000 0.18127 0.18283 0.18413 0.18812 0.18915 0.19148 0.19479 0.19763 0.20002 0.20338 0.20503 0.20614 0.20883 0.21288 0.21457 0.21493 0.21713 0.22147 0.22324 0.22425 0.22692 0.22927 0.23101 0.23124 0.23400 0.23477 0.23596 0.23935 0.24317 0.24385 0.24518 0.24811 0.24901 0.25225 0.25709 0.25856 0.25950 0.26002 0.26364 0.26768 0.26897 0.26980 0.27096 0.27550 0.27797 0.28020 0.28064 0.28424 0.28710 0.29205 0.29336 0.29534 0.29985 0.30108 0.30592 0.30807 0.30979 0.31408 0.31812 0.31993 0.32310 0.32644 0.32987 0.33071 0.33311 0.33736 0.34001 0.34245 0.34320 0.34881 0.35172 0.35534 0.35893 0.36385 0.36568 0.36695 0.37226 0.37338 0.37569 0.38103 0.38370 0.38744 0.39259 0.39565 0.39919 0.40353 0.40944 0.41117 0.42099 0.42415 0.42641 0.43272 0.43668 0.45196 0.45423 0.45784 0.46167 0.46699 0.47626 0.48380 0.48939 0.49154 0.49930 0.50180 0.50251 0.51198 0.52094 0.52633 0.53198 0.53461 0.53989 0.55086 0.55617 0.56679 0.56759 0.56833 0.57211 0.57397 0.57989 0.58646 0.59091 0.59447 0.59803 0.60310 0.60646 0.61216 0.62091 0.62259 0.62856 0.63475 0.63614 0.64001 0.64388 0.64761 0.65348 0.66006 0.66517 0.66772 0.67034 0.67413 0.67772 0.68151 0.68323 0.68760 0.69229 0.69745 0.70162 0.70216 0.70335 0.70695 0.71082 0.71482 0.72214 0.72582 0.72895 0.73359 0.73529 0.74219 0.74538 0.75004 0.75137 0.75401 0.76007 0.76458 0.76694 0.77065 0.77578 0.78069 0.78835 0.79071 0.79785 0.79906 0.80673 0.80800 0.82194 0.82304 0.83080 0.83449 0.84092 0.84407 0.84854 0.85256 0.85530 0.86223 0.86432 0.86923 0.87478 0.87680 0.89177 0.89540 0.90075 0.90685 0.90872 0.91055 0.92051 0.92576 0.93178 0.93593 0.93719 0.94805 0.94895 0.95677 0.96067 0.96794 0.97429 0.97966 0.98183 0.98323 0.98986 0.99469 1.00264 1.00997 1.01461 1.01899 1.02736 1.03468 1.03865 1.04938 1.05694 1.06114 1.06358 1.07179 1.07509 1.08277 1.09203 1.09780 1.10972 1.11695 1.12007 1.13005 1.13979 1.14388 1.15541 1.15728 1.17754 1.17974 1.18499 1.18874 1.19508 1.21253 1.21900 1.22473 1.23228 1.25082 1.26047 1.26558 1.28180 1.29042 1.29578 1.30446 1.31601 1.32371 1.33266 1.34103 1.35401 1.37664 1.38374 1.39543 1.40608 1.41348 1.42628 1.44015 1.44072 1.44968 1.45572 1.45886 1.46705 1.47805 1.48563 1.48992 1.49984 1.50896 1.51820 1.52666 1.52954 1.53549 1.54019 1.54501 1.55404 1.55719 1.56715 1.57077 1.57525 1.57814 1.58715 1.59035 1.59540 1.59928 1.60745 1.61281 1.61991 1.63209 1.63762 1.64707 1.65097 1.65512 1.65978 1.66769 1.67381 1.68453 1.69058 1.69617 1.70120 1.70554 1.71585 1.71809 1.72181 1.73401 1.74273 1.74735 1.75421 1.76105 1.77021 1.78054 1.78927 1.79535 1.79894 1.81092 1.81576 1.81904 1.82755 1.84424 1.84821 1.84840 1.85970 1.87087 1.87763 1.88709 1.89860 1.90314 1.91152 1.92097 1.92766 1.93088 1.94228 1.94729 1.95206 1.95950 1.96731 1.97446 1.98301 1.98815 1.99821 2.00624 2.00960 2.01827 2.02868 2.03676 2.04046 2.04643 2.05307 2.06569 2.06950 2.07388 2.07790 2.08598 2.09132 2.09896 2.10351 2.10490 2.12125 2.12635 2.15230 2.16760 2.17413 2.19841 2.20471 2.21322 2.22667 2.22950 2.23407 2.23876 2.25009 2.26852 2.27234 2.28748 2.30744 2.31500 2.32459 2.33556 2.33956 2.34007 2.35809 2.37430 2.39282 2.41100 2.42260 2.43658 2.44480 2.46292 2.47170 2.48132 2.48818 2.49808 2.50941 2.52395 2.53929 2.54281 2.55189 2.56798 2.57481 2.58350 2.59132 2.59936 2.60729 2.62733 2.62830 2.65491 2.66054 2.67101 2.68135 2.68646 2.70314 2.70876 2.72095 2.72925 2.73517 2.74461 2.75216 2.75845 2.76212 2.76855 2.76959 2.77324 2.77983 2.78977 2.79894 2.80236 2.80867 2.81528 2.82106 2.82650 2.83445 2.83828 2.84760 2.86246 2.86878 2.87578 2.88285 2.89533 2.90058 2.90962 2.91239 2.92721 2.93679 2.94562 2.95060 2.95849 2.96058 2.97688 2.98659 2.99841 3.00521 3.02159 3.03679 3.05283 3.06184 3.06753 3.09479 3.09827 3.10266 3.11631 3.12392 3.13816 3.15236 3.15849 3.16756 3.17233 3.18283 3.19453 3.20322 3.21892 3.24542 3.26188 3.26822 3.30277 3.31276 3.33634 3.35689 3.36489 3.37675 3.38672 3.40115 3.43078 3.44898 3.46340 3.52874 3.55905 3.56449 3.58417 3.59418 3.63973 3.66055 3.66979 3.71073 3.71342 3.73480 3.76702 3.77700 3.80237 3.82235 3.83976 3.85762 3.86705 3.88914 3.89767 3.96106 3.96802 3.99431 4.00892 4.02038 4.03665 4.06046 4.10143 4.12871 4.13940 4.14976 4.15814 4.17656 4.18965 4.22905 4.24813 4.32129 4.35087 4.53362 4.56987 4.65456 4.83996 4.85644 4.86561 5.10085 5.12958 5.14845 5.23403 5.43110 5.44662 5.65127 5.86354 5.87625 6.33208 6.46080 6.74505 9.75780 9.82796 23.52904 23.55903 23.62798 23.77827 23.80879 23.86212 23.88850 23.91357 23.94553 23.96048 23.98158 23.99257 24.01421 24.03183 24.04531 24.08053 24.09153 24.09665 24.17207 24.18481 24.19611 24.34512 25.83999 25.95863 25.98955 26.21103 26.54356 26.59742 35.86971 49.93608 49.98527 50.01076 66.80026 215.74890 215.83061 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 F 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 0.367819 0.551757 -0.197781 0.144152 -0.326364 -0.026841 -0.351690 0.091183 0.886225 -0.384833 -0.364165 -0.526124 -1.558700 -0.087868 -0.393929 0.383867 0.641188 -0.411727 1.066470 -0.528935 -0.534813 0.046624 -0.936221 -0.378133 0.065105 -0.225082 0.066995 -0.038304 -0.371220 0.203270 0.207655 0.174943 0.171615 0.157880 0.172949 0.140314 0.177483 0.199003 0.256520 0.233900 0.170815 0.184454 0.183270 0.170614 0.189735 0.171145 0.165784 -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 29 Cl Cl F 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 0.367819 0.551757 -0.197781 0.144152 -0.326364 -0.026841 -0.351690 0.091183 1.089495 -0.177179 0.140273 -0.035378 -1.359697 -0.087868 -0.393929 0.640387 0.641188 -0.411727 1.300370 -0.358120 -0.534813 0.231077 -0.936221 -0.378133 0.248375 -0.054468 0.256729 0.132841 -0.205437 -0.00000 1.55409132e+00 -5.04040317e-01 1.79557936e-01 4.29971286e+02 -1.45239414e+01 4.11417220e+02 3.27789312e+01 1.45998222e+01 4.25297575e+02 -5.0137 -0.0020 -0.0018 -0.0006 7.0642 10.0873 14.7622 20.2317 26.5548 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 14.5249 20.1050 26.5062 33.2016 48.2280 53.7261 55.0082 59.9619 67.4341 78.7730 95.3058 112.3565 133.1433 142.7420 156.7506 178.7238 199.5922 210.6740 222.2981 227.0360 239.0498 245.5064 255.0996 275.9461 297.1864 313.4718 341.7511 350.8719 378.1302 400.5360 404.5937 423.5023 433.9921 446.2371 467.4849 469.0868 488.0438 491.7116 496.5275 533.1473 568.9953 580.2281 606.4184 612.1413 628.3611 643.9772 652.7041 662.7577 705.6559 723.0300 730.8157 756.4599 766.5256 798.2463 818.1653 820.1263 834.3211 846.3819 856.9845 869.2491 890.0860 900.2478 914.8397 933.1212 942.4343 958.7363 967.5838 979.5773 991.1131 991.8886 1003.2477 1010.6593 1013.5866 1017.5798 1035.6075 1043.0776 1075.4550 1093.1582 1105.2854 1125.7947 1128.6056 1149.1532 1154.7380 1175.7559 1185.9020 1215.6356 1242.7224 1252.7769 1258.5725 1286.4651 1290.7780 1308.1637 1314.1876 1320.1723 1323.0283 1340.7257 1346.1795 1367.1692 1373.4186 1411.2124 1418.4685 1448.0496 1451.8357 1472.9777 1477.2079 1478.4076 1490.1131 1495.3379 1520.5812 1535.1591 1626.3228 1630.4550 1639.9706 1647.8015 1670.0823 1690.4414 2313.2685 3027.0830 3034.1066 3085.1088 3088.5670 3100.6106 3113.0634 3151.5121 3174.7008 3180.5245 3183.4675 3183.9806 3192.2091 3192.6390 3194.7055 3200.0000 3203.3295 3207.9192 3237.9571 8.8517 7.3455 6.8656 7.2786 6.1294 5.7896 8.7144 10.0948 8.0336 5.7009 10.0748 4.9062 5.6224 3.9008 4.8293 1.9082 2.5800 6.9480 2.5035 4.9320 2.2089 5.9415 3.9172 5.6824 3.3919 3.9656 8.8037 7.1107 5.2897 4.3845 3.2369 2.9493 7.8808 4.3870 3.7192 4.2686 4.5953 4.2631 3.8861 4.0831 7.0157 5.9058 6.3979 5.1761 6.5380 6.6221 5.3132 4.6241 1.9218 5.2771 3.6828 3.7836 3.3416 3.0940 4.3620 6.4399 1.5806 1.2495 3.7628 3.4382 2.0509 1.6839 5.2270 1.5962 3.2855 2.0712 1.8510 1.4532 1.4731 1.3645 1.8643 1.4997 2.6950 4.8811 2.5097 2.0512 1.5470 1.4912 1.5783 2.1295 2.4087 2.8020 1.7705 1.1113 1.1289 1.9060 3.4346 3.4895 2.2853 2.2730 2.1485 1.8472 1.2509 2.3405 2.3408 2.0370 1.3656 2.7833 1.6361 1.3249 1.2353 3.2009 1.6441 1.0540 1.0605 2.1653 1.0578 1.2101 2.3984 3.0913 5.8160 6.4555 6.5941 7.3804 7.2924 11.5815 12.6662 1.0374 1.0414 1.1022 1.1013 1.0849 1.1009 1.0950 1.0868 1.0909 1.0889 1.0895 1.0869 1.0924 1.0901 1.0951 1.0970 1.0960 1.0894 0.0011 0.0017 0.0028 0.0047 0.0084 0.0098 0.0155 0.0214 0.0215 0.0208 0.0539 0.0365 0.0587 0.0468 0.0699 0.0359 0.0606 0.1817 0.0729 0.1498 0.0744 0.2110 0.1502 0.2549 0.1765 0.2296 0.6058 0.5158 0.4456 0.4144 0.3122 0.3117 0.8745 0.5147 0.4789 0.5534 0.6449 0.6073 0.5645 0.6838 1.3382 1.1715 1.3862 1.1428 1.5209 1.6180 1.3336 1.1967 0.5638 1.6254 1.1589 1.2756 1.1568 1.1616 1.7203 2.5521 0.6482 0.5274 1.6282 1.5306 0.9573 0.8040 2.5774 0.8188 1.7193 1.1217 1.0210 0.8216 0.8525 0.7910 1.1056 0.9026 1.6313 2.9779 1.5859 1.3149 1.0542 1.0499 1.1360 1.5902 1.8076 2.1801 1.3910 0.9051 0.9354 1.6595 3.1251 3.2267 2.1328 2.2164 2.1090 1.8625 1.2728 2.4034 2.4141 2.1573 1.4581 3.0652 1.8184 1.5546 1.4644 3.9545 2.0418 1.3473 1.3635 2.7884 1.3839 1.5942 3.2674 4.2924 9.0633 10.1111 10.4491 11.8070 11.9839 19.4991 39.9344 5.6010 5.6484 6.1810 6.1895 6.1452 6.2859 6.4074 6.4536 6.5015 6.5018 6.5073 6.5258 6.5606 6.5552 6.6072 6.6320 6.6453 6.7293 0.6081 0.6070 1.1292 2.2837 3.0439 0.5683 1.4225 5.3017 3.7237 1.1080 2.8283 0.6108 0.4411 2.0532 1.2593 1.1645 1.1643 11.8364 1.6091 2.5826 1.6038 6.6653 1.2427 9.1824 1.8669 2.9691 2.0254 5.0739 7.6257 8.4570 0.2788 0.7310 21.2528 5.1562 3.5848 9.3177 23.1449 12.1962 25.5972 17.7557 30.2270 10.6522 14.8075 6.5663 0.7053 47.8480 17.8853 0.5069 86.6349 3.0725 7.9228 29.1327 28.5988 21.6528 135.8555 40.2970 74.8089 0.9743 74.8828 44.4725 106.4435 62.4806 108.9422 13.0699 13.8118 70.0049 51.6694 20.8544 15.7781 0.0842 76.3567 9.8278 29.0960 5.9532 203.7649 25.9691 99.5102 21.8963 25.0291 244.8261 114.4791 54.6198 42.0359 1.7254 7.6550 36.5692 460.3776 176.9731 136.9358 312.0816 215.0831 29.2796 27.1669 19.7736 25.7017 0.1051 12.6886 61.1263 51.9146 14.1145 8.8300 62.9185 27.8698 3.2213 6.6742 2.6717 18.3729 4.1787 185.3680 299.1735 120.6864 39.2283 7.3991 45.0407 44.5980 991.6614 23.3166 31.1374 64.5454 13.9286 63.9167 2.6733 37.5800 17.9283 0.3275 1.0112 4.7722 12.2418 6.7552 23.9063 1.9572 7.1943 0.7769 0.2890 10.0770 -0.10 0.19 -0.14 -0.10 -0.14 0.14 -0.01 -0.02 0.07 0.01 -0.01 -0.00 0.03 -0.02 -0.02 0.07 -0.01 0.01 -0.02 0.07 -0.11 -0.06 -0.01 0.08 -0.05 -0.04 0.10 -0.01 -0.03 0.06 -0.08 -0.03 0.10 -0.09 0.04 0.05 -0.05 -0.10 0.15 0.01 -0.02 0.01 -0.08 -0.02 0.06 0.02 -0.01 -0.05 0.01 -0.01 -0.02 -0.00 0.03 -0.08 0.04 -0.01 -0.02 -0.02 -0.02 0.01 0.04 -0.01 0.01 -0.03 -0.02 0.04 -0.00 -0.02 0.04 0.10 0.00 -0.04 0.07 -0.04 -0.09 0.17 0.06 -0.04 0.10 -0.02 -0.14 0.20 0.08 -0.09 0.17 0.04 -0.14 -0.06 -0.01 0.08 0.01 -0.05 0.07 -0.07 -0.01 0.08 -0.11 -0.02 0.13 -0.05 -0.06 0.12 -0.09 0.06 0.02 -0.08 0.04 0.04 -0.12 0.06 0.08 -0.04 -0.22 0.27 0.04 -0.04 -0.07 0.07 -0.01 -0.05 -0.05 -0.02 0.01 -0.06 -0.02 0.07 0.02 -0.08 -0.09 0.19 0.10 0.00 0.08 -0.05 -0.18 0.25 0.13 -0.09 0.20 0.05 -0.18 -0.12 0.09 -0.04 -0.12 -0.01 -0.11 0.18 -0.08 -0.08 0.02 0.02 0.06 0.03 0.01 0.02 -0.03 0.06 0.11 -0.07 0.07 -0.10 0.03 -0.01 0.04 -0.00 0.00 0.03 0.02 0.01 0.04 0.05 -0.03 0.01 0.04 0.00 0.05 -0.03 -0.02 -0.01 0.02 0.01 0.04 -0.08 0.02 -0.04 0.03 0.01 -0.01 0.05 -0.00 -0.02 -0.03 0.04 -0.06 -0.02 0.04 0.05 0.16 -0.08 -0.11 0.02 0.02 0.04 0.20 -0.10 -0.13 0.13 -0.05 -0.06 -0.03 0.03 0.10 -0.02 0.13 0.08 -0.03 -0.12 0.10 -0.02 0.08 0.07 -0.03 -0.17 0.09 -0.02 -0.07 0.08 -0.02 0.02 0.04 0.02 -0.00 0.03 0.08 -0.03 0.02 0.04 -0.04 0.01 0.04 -0.05 -0.00 0.09 -0.02 0.09 0.02 0.06 0.06 0.02 -0.04 0.01 -0.01 -0.06 -0.01 0.06 -0.02 -0.04 -0.11 0.09 0.12 0.21 -0.11 -0.17 0.28 -0.15 -0.20 -0.02 0.23 0.08 -0.03 -0.19 0.11 -0.02 0.15 0.06 -0.03 -0.29 0.09 -0.02 -0.11 0.07 -0.09 -0.01 0.02 -0.09 -0.05 -0.05 0.12 -0.05 -0.14 0.00 0.00 0.00 -0.02 0.02 0.10 0.07 -0.06 -0.09 0.03 -0.16 0.19 0.01 0.00 -0.00 -0.02 -0.00 -0.00 -0.00 -0.00 -0.00 0.03 -0.01 -0.02 0.02 0.03 0.01 -0.03 -0.02 -0.02 -0.01 0.01 0.04 -0.07 -0.03 -0.02 -0.01 -0.00 0.07 0.01 -0.01 0.01 0.01 -0.09 0.13 0.02 -0.03 -0.02 0.03 0.00 -0.01 0.05 -0.04 -0.06 0.07 -0.01 -0.06 0.08 -0.03 -0.09 0.03 0.01 -0.03 0.05 -0.09 0.03 -0.01 0.21 -0.04 0.03 0.01 0.07 -0.03 0.31 0.01 -0.01 0.21 0.07 -0.03 0.01 0.02 -0.00 -0.01 -0.02 0.05 -0.00 -0.03 0.03 -0.01 -0.02 0.02 -0.02 -0.04 0.01 0.05 -0.03 0.02 -0.01 0.03 0.04 0.07 0.05 -0.02 -0.03 -0.04 -0.05 0.06 0.11 0.00 -0.03 -0.00 0.02 0.02 0.01 0.09 -0.01 -0.08 0.07 -0.24 0.03 -0.02 0.29 -0.08 0.04 -0.07 0.12 -0.06 0.47 0.01 -0.03 0.29 0.10 -0.01 0.05 -0.05 -0.01 -0.14 0.16 0.06 -0.01 -0.05 -0.02 0.03 -0.08 -0.03 0.03 -0.09 0.01 -0.00 -0.01 0.14 -0.14 0.25 -0.01 0.10 -0.09 -0.01 0.05 -0.06 -0.01 0.04 -0.12 -0.01 0.13 -0.10 -0.01 0.13 -0.08 -0.01 -0.00 0.00 -0.02 0.03 -0.10 -0.01 -0.03 0.03 -0.05 0.03 0.06 -0.04 0.03 0.04 0.05 -0.07 0.16 -0.03 0.02 0.03 -0.02 0.02 0.02 -0.00 0.01 -0.00 0.01 0.01 -0.01 0.02 0.00 -0.02 0.00 -0.01 -0.01 0.03 0.13 -0.00 -0.03 -0.18 -0.01 0.02 0.12 0.01 -0.03 -0.20 0.00 -0.01 -0.04 0.01 -0.01 0.04 -0.04 -0.01 0.04 -0.14 -0.01 0.15 -0.14 -0.01 0.15 -0.07 -0.01 0.10 -0.11 -0.00 0.14 -0.10 -0.01 0.11 -0.07 -0.01 0.15 -0.06 -0.00 -0.05 0.05 -0.12 0.09 0.11 -0.05 0.03 0.04 -0.03 0.03 0.03 0.03 0.00 -0.02 0.05 0.25 -0.00 -0.04 -0.29 -0.01 0.03 0.23 0.01 -0.06 -0.33 0.01 -0.02 -0.06 0.02 -0.04 0.13 -0.04 -0.03 0.02 -0.06 -0.10 0.03 0.04 0.05 -0.04 -0.00 0.04 -0.04 -0.08 0.09 -0.11 -0.15 0.03 0.00 -0.07 0.04 0.03 0.04 0.05 -0.01 0.06 0.04 -0.01 0.01 0.04 0.06 0.03 0.03 0.05 0.03 0.04 -0.02 0.05 0.04 -0.03 -0.03 -0.00 0.03 -0.01 0.05 -0.05 -0.03 0.04 -0.05 -0.02 0.04 -0.02 -0.05 0.10 -0.09 -0.08 -0.06 0.02 0.06 0.05 -0.06 -0.07 -0.10 0.05 0.08 -0.05 0.01 0.02 0.02 -0.07 -0.04 0.09 -0.01 0.08 -0.11 -0.09 -0.04 0.03 0.04 0.19 -0.18 -0.05 0.07 -0.11 0.02 0.18 0.04 -0.01 0.08 0.04 -0.01 0.00 0.04 0.09 -0.01 0.03 0.08 0.07 0.04 0.03 0.03 0.02 0.07 0.00 0.04 0.02 0.03 0.03 0.07 0.06 0.05 -0.07 0.08 0.06 -0.07 -0.04 0.17 -0.13 -0.14 -0.10 0.05 0.12 -0.18 0.10 0.15 0.19 -0.00 0.08 -0.16 -0.15 -0.14 0.08 0.10 0.27 -0.28 -0.06 0.06 -0.16 0.06 0.27 0.00 -0.11 -0.02 -0.00 -0.03 0.03 0.04 0.00 0.03 -0.02 0.07 -0.07 -0.02 0.08 0.18 0.14 0.01 -0.06 -0.05 0.06 -0.05 -0.08 -0.09 -0.04 -0.07 -0.00 -0.09 -0.04 0.00 0.01 -0.09 -0.18 0.01 -0.10 -0.10 -0.06 -0.07 -0.00 -0.08 -0.03 0.05 0.05 -0.03 -0.04 -0.03 -0.03 0.06 -0.04 -0.01 0.05 -0.02 -0.03 0.06 -0.04 0.06 0.03 -0.05 -0.07 0.04 0.03 0.08 0.02 -0.03 -0.05 0.03 0.05 0.03 0.02 0.01 0.11 0.04 -0.01 0.15 0.13 0.05 0.03 -0.05 -0.01 0.11 0.13 0.10 -0.00 -0.05 0.04 0.04 0.03 0.10 -0.08 0.03 -0.14 -0.02 0.01 0.06 -0.08 -0.24 0.08 -0.11 -0.24 -0.07 -0.07 -0.14 0.04 -0.06 -0.14 0.01 -0.11 -0.01 -0.09 -0.15 -0.17 -0.13 -0.08 0.03 -0.09 -0.04 0.06 -0.05 0.10 0.03 -0.09 -0.13 0.05 0.05 -0.10 0.02 0.09 0.21 0.19 0.05 0.00 -0.12 -0.06 0.14 0.20 0.15 -0.07 -0.13 0.04 0.01 0.03 0.15 -0.09 -0.09 0.18 -0.09 -0.09 0.04 0.06 0.01 -0.07 -0.03 0.07 0.15 -0.02 0.06 -0.08 0.09 -0.06 -0.11 -0.18 0.18 -0.10 0.07 0.10 -0.02 0.01 0.09 -0.02 -0.00 0.09 -0.02 0.11 0.12 -0.10 0.12 0.07 0.04 -0.02 0.07 -0.06 -0.02 0.08 0.02 -0.06 -0.02 0.04 -0.02 0.04 0.06 0.01 0.02 0.05 -0.10 0.11 -0.02 0.06 -0.02 -0.01 -0.03 0.06 0.08 0.07 -0.02 -0.05 -0.01 0.06 0.04 0.04 0.02 -0.02 0.07 -0.08 -0.08 0.07 -0.14 -0.06 0.04 -0.07 -0.09 0.05 -0.17 -0.03 0.02 -0.10 -0.06 0.03 -0.16 -0.04 -0.00 0.09 0.03 -0.02 0.10 -0.07 0.14 0.12 -0.10 0.15 0.13 -0.10 0.07 0.12 -0.15 0.15 0.06 0.07 0.10 0.08 0.08 0.17 0.06 0.01 -0.00 0.11 -0.15 0.02 -0.00 0.03 0.09 -0.05 -0.03 -0.07 0.10 0.13 -0.03 0.09 0.06 0.08 -0.16 -0.06 0.03 -0.03 -0.11 0.06 -0.22 -0.01 0.00 -0.09 -0.06 0.01 -0.19 -0.02 -0.07 0.03 0.10 -0.07 -0.02 -0.00 -0.13 0.05 0.16 0.11 0.04 -0.27 -0.07 0.13 0.34 -0.02 0.06 0.05 0.04 -0.27 -0.01 0.03 0.09 -0.01 0.03 0.10 -0.02 0.04 0.09 -0.00 0.02 0.08 0.01 0.01 0.08 -0.03 0.02 0.08 -0.02 0.02 0.09 0.04 -0.03 0.04 0.02 0.07 -0.02 -0.16 0.10 -0.04 -0.16 0.06 -0.13 -0.08 0.11 -0.01 -0.12 0.06 -0.06 -0.12 0.03 0.02 -0.02 -0.00 -0.03 -0.03 -0.03 0.01 0.03 -0.01 0.00 0.02 -0.03 -0.08 0.00 0.02 0.00 0.02 -0.03 -0.16 -0.02 0.02 -0.09 0.00 -0.00 -0.17 -0.02 0.03 0.11 -0.01 0.03 0.11 0.01 0.03 0.09 -0.01 -0.00 0.08 0.02 0.04 0.05 0.01 0.05 0.04 0.04 0.01 0.17 -0.07 -0.04 0.01 -0.10 0.03 0.08 -0.07 -0.01 0.04 -0.12 0.14 0.00 -0.15 0.06 -0.08 -0.15 -0.05 -0.04 0.01 -0.05 -0.08 0.00 0.03 0.06 0.04 -0.04 -0.23 -0.04 0.04 -0.09 0.01 0.00 -0.24 -0.03 -0.07 -0.07 0.12 -0.07 0.14 -0.09 0.08 -0.01 -0.01 0.02 0.02 -0.10 0.09 -0.01 -0.23 0.06 0.02 -0.00 0.27 0.02 0.10 -0.14 0.00 0.04 -0.08 -0.03 0.07 -0.02 -0.02 0.01 -0.18 -0.02 0.13 -0.21 0.07 -0.03 -0.08 -0.02 0.08 0.04 0.00 -0.12 -0.07 0.00 0.05 0.01 0.03 -0.02 0.00 0.04 0.00 0.13 0.02 0.03 0.04 0.03 -0.01 -0.01 0.03 0.01 0.05 0.02 -0.01 0.02 0.01 0.01 0.05 0.01 -0.00 0.05 -0.00 -0.00 0.05 -0.05 0.00 0.05 -0.00 -0.00 0.04 -0.12 0.00 0.04 -0.07 0.00 0.04 -0.13 0.00 -0.09 -0.00 0.02 0.03 -0.07 0.05 -0.19 0.01 0.08 -0.28 -0.01 0.19 -0.12 -0.10 0.19 -0.20 0.09 -0.05 -0.18 0.12 -0.08 -0.29 0.07 -0.01 -0.08 0.01 0.05 -0.04 0.05 -0.01 0.05 0.03 -0.02 -0.03 0.03 0.02 0.01 0.00 0.01 0.04 -0.06 0.00 0.06 0.03 -0.00 0.04 -0.17 0.01 0.04 -0.08 0.00 0.03 -0.19 0.01 -0.04 -0.09 0.13 -0.04 0.02 -0.06 -0.07 0.02 0.00 0.01 -0.06 -0.00 0.01 -0.05 0.05 -0.01 -0.02 -0.03 0.00 -0.05 -0.02 0.04 0.02 0.06 0.01 -0.05 0.10 0.01 -0.05 0.03 0.05 0.06 0.03 0.04 0.08 0.08 -0.00 -0.05 0.06 0.01 -0.06 0.03 -0.02 -0.04 0.06 0.02 -0.04 -0.02 -0.00 -0.02 -0.03 0.01 -0.04 -0.02 -0.02 -0.02 -0.02 -0.00 -0.01 -0.03 -0.03 -0.01 -0.02 -0.03 0.00 -0.01 -0.04 0.00 -0.01 0.01 0.01 -0.06 0.02 0.19 -0.09 0.03 -0.12 -0.05 0.05 0.29 -0.11 0.06 -0.03 -0.08 0.07 0.18 -0.11 0.01 -0.06 0.14 0.01 -0.07 -0.02 0.07 0.11 -0.04 0.04 0.10 0.09 0.05 -0.01 0.00 0.04 0.14 0.00 0.05 0.03 0.10 0.05 0.15 0.15 0.01 -0.03 0.01 0.04 -0.03 -0.02 -0.03 -0.01 -0.02 0.01 -0.01 -0.03 -0.04 0.01 -0.01 0.00 0.28 -0.09 0.02 -0.27 -0.03 0.05 0.44 -0.13 0.07 -0.12 -0.08 0.09 0.26 -0.13 0.01 0.01 -0.02 0.02 0.01 -0.01 0.12 -0.12 -0.11 -0.03 -0.08 -0.16 -0.13 -0.02 0.35 -0.02 -0.05 -0.02 0.37 0.35 -0.11 0.03 0.04 0.00 0.00 -0.05 0.04 -0.04 -0.06 -0.04 0.04 0.14 -0.06 0.05 0.08 0.03 0.00 -0.04 0.04 -0.07 -0.06 0.06 0.01 -0.01 0.01 -0.04 -0.02 -0.04 -0.12 0.01 0.07 0.16 0.14 -0.06 -0.09 -0.00 0.06 -0.12 -0.00 0.08 -0.04 -0.03 0.02 -0.07 -0.03 0.03 -0.00 -0.05 -0.02 -0.02 -0.04 -0.01 -0.02 -0.06 -0.01 -0.03 -0.01 -0.01 -0.03 -0.05 -0.00 -0.03 0.01 -0.01 -0.03 -0.02 -0.00 0.01 -0.09 0.11 -0.06 -0.05 -0.10 0.05 0.22 -0.16 0.07 0.22 0.05 0.03 0.07 -0.10 0.05 0.12 -0.02 0.04 0.04 0.06 0.06 0.13 0.08 0.00 -0.05 0.05 -0.08 -0.08 -0.08 -0.09 0.00 0.05 -0.15 0.00 0.09 -0.04 -0.04 0.01 -0.02 -0.08 -0.01 -0.03 0.01 -0.02 -0.03 -0.07 0.00 -0.03 0.03 -0.01 -0.03 -0.01 -0.00 0.03 -0.08 -0.11 0.03 0.07 -0.01 0.03 0.02 0.00 -0.03 0.01 -0.01 0.05 -0.03 0.07 0.03 0.06 0.00 -0.19 -0.09 0.01 0.01 0.03 0.01 -0.07 -0.12 0.09 -0.01 -0.11 -0.06 0.04 0.08 -0.06 0.02 0.22 0.06 -0.07 -0.15 0.10 0.01 -0.04 -0.00 -0.03 -0.08 0.02 -0.02 0.04 -0.01 -0.01 0.05 -0.02 -0.07 -0.01 0.01 0.01 0.05 -0.02 -0.03 0.04 -0.01 0.02 0.05 -0.01 -0.01 0.03 -0.00 0.02 0.04 -0.00 0.03 0.05 0.01 0.03 -0.00 0.02 0.02 0.04 0.01 0.01 -0.08 0.04 -0.00 -0.03 0.02 -0.00 -0.10 0.04 -0.08 -0.13 0.16 0.01 -0.18 -0.16 0.10 0.21 -0.21 -0.00 0.18 0.10 0.04 -0.09 -0.11 0.07 0.32 -0.08 0.00 0.17 0.11 -0.00 0.33 0.19 -0.08 -0.17 0.14 -0.00 0.07 0.01 0.02 0.07 -0.03 -0.05 0.05 -0.00 -0.02 0.02 0.01 0.04 0.00 0.02 0.02 0.09 -0.00 0.01 -0.13 0.05 -0.01 -0.05 0.02 -0.02 -0.18 0.05 -0.00 -0.08 -0.09 -0.00 0.08 0.07 -0.09 0.04 0.06 0.06 0.06 0.05 0.02 0.08 0.03 -0.04 -0.10 -0.01 0.06 0.10 -0.02 -0.02 0.04 -0.03 -0.10 0.04 -0.04 0.03 0.06 -0.02 0.02 -0.15 -0.04 -0.03 0.21 -0.01 -0.12 0.00 -0.03 0.04 0.09 0.02 -0.08 -0.00 -0.02 0.04 -0.03 0.05 0.09 -0.07 0.05 0.03 0.01 0.02 0.06 -0.08 0.05 0.15 -0.07 0.00 0.02 -0.06 0.02 0.11 -0.03 -0.01 0.02 -0.02 0.02 -0.05 -0.13 -0.01 -0.05 -0.10 -0.02 -0.04 -0.11 -0.01 -0.03 0.03 -0.03 -0.03 0.02 -0.02 -0.02 0.11 -0.03 -0.13 0.10 -0.06 0.06 0.01 -0.04 0.11 -0.21 0.06 -0.04 -0.24 -0.14 0.03 -0.14 -0.03 0.03 0.30 -0.12 -0.05 0.20 0.02 -0.09 0.29 0.10 -0.12 0.00 -0.03 0.00 -0.05 0.04 0.04 -0.10 0.06 0.21 -0.07 -0.01 0.13 -0.01 -0.03 -0.06 -0.14 -0.02 -0.05 -0.15 -0.01 -0.03 0.08 -0.03 -0.02 0.06 -0.02 -0.00 0.23 -0.03 -0.02 -0.02 -0.03 -0.01 0.07 0.09 -0.04 -0.01 0.04 -0.05 -0.01 0.01 -0.04 -0.03 -0.09 0.03 0.03 -0.02 0.16 -0.03 0.05 0.04 -0.01 0.04 -0.06 0.01 0.03 -0.05 0.01 0.06 0.14 -0.08 -0.09 0.15 -0.07 0.16 -0.08 0.02 -0.00 -0.05 -0.01 0.01 -0.06 0.02 0.00 -0.04 0.00 -0.05 -0.03 0.01 -0.07 0.00 -0.00 -0.03 -0.02 0.02 -0.06 -0.02 -0.02 -0.08 -0.00 0.01 -0.04 -0.02 -0.03 -0.05 -0.02 -0.01 -0.02 0.03 0.06 -0.01 0.04 0.04 0.00 0.02 0.05 -0.02 0.02 -0.02 0.02 -0.00 -0.00 0.00 0.00 -0.05 0.02 -0.07 0.01 0.08 -0.06 0.00 0.02 0.22 -0.17 0.04 0.24 -0.16 -0.24 0.05 0.02 -0.17 0.33 -0.18 0.38 0.04 0.16 0.22 0.14 -0.25 -0.05 -0.09 0.03 -0.02 0.00 0.01 -0.05 -0.02 0.05 -0.05 -0.02 -0.04 -0.10 -0.02 -0.06 -0.04 0.06 0.05 0.00 0.01 0.07 -0.03 0.03 -0.04 0.03 -0.02 -0.02 0.00 -0.01 -0.11 0.03 -0.01 0.02 0.02 0.00 0.04 0.03 0.18 -0.09 -0.11 0.06 0.01 -0.10 0.05 0.02 -0.04 -0.07 0.02 0.06 -0.08 -0.12 -0.05 0.04 0.00 0.01 -0.01 0.02 -0.00 0.05 0.03 0.01 0.08 -0.18 -0.01 0.04 0.08 0.02 -0.01 0.02 0.01 0.05 0.02 -0.03 -0.01 0.02 0.01 0.05 -0.01 -0.06 0.00 -0.00 0.01 0.03 -0.04 -0.06 0.05 -0.02 -0.02 -0.16 0.06 0.14 -0.01 0.00 0.02 -0.14 0.06 0.13 0.00 -0.01 0.02 -0.07 -0.02 0.04 -0.09 -0.01 -0.00 -0.03 -0.03 0.04 -0.06 0.03 -0.04 0.00 0.00 -0.00 -0.02 0.04 -0.04 -0.02 0.05 -0.02 0.05 0.01 0.00 0.15 -0.33 0.20 0.10 -0.33 -0.23 0.05 -0.05 -0.01 0.16 0.06 0.08 -0.00 0.22 0.03 -0.04 0.01 -0.04 -0.01 0.01 0.01 0.01 -0.03 -0.07 0.10 -0.03 -0.06 -0.25 0.11 0.21 -0.19 0.08 0.18 -0.13 -0.01 -0.01 -0.02 -0.04 0.07 -0.07 0.05 -0.07 0.04 0.01 0.00 0.01 0.08 -0.07 -0.00 -0.05 -0.05 -0.01 0.01 0.02 0.03 -0.00 -0.00 0.02 0.03 -0.02 0.03 0.03 -0.01 -0.02 -0.01 0.01 -0.00 -0.02 -0.01 -0.01 0.01 0.02 -0.01 0.01 0.01 -0.01 0.01 0.03 -0.03 0.13 0.02 0.02 -0.11 0.03 -0.04 -0.01 -0.02 0.02 0.03 -0.00 -0.04 -0.01 -0.02 0.02 0.00 -0.01 0.03 -0.01 0.01 0.01 -0.00 -0.01 0.05 -0.02 -0.00 0.00 0.01 0.03 0.02 -0.00 0.01 -0.00 0.01 0.03 0.02 0.00 0.01 -0.03 -0.04 0.01 -0.03 -0.03 -0.00 -0.02 -0.03 0.01 -0.02 0.02 -0.02 -0.00 0.01 -0.00 -0.01 0.05 -0.02 -0.02 0.02 0.03 0.01 0.01 0.05 -0.01 0.37 -0.27 -0.14 0.32 0.33 0.03 -0.15 0.01 0.17 -0.27 0.33 -0.04 0.18 0.01 -0.04 -0.35 -0.24 -0.03 -0.01 -0.03 0.00 0.00 -0.01 0.06 -0.02 -0.02 -0.02 0.02 0.05 -0.02 0.02 0.04 -0.04 -0.04 -0.00 -0.02 -0.05 0.02 -0.02 0.04 -0.02 0.01 0.03 -0.00 0.00 0.10 -0.03 0.01 -0.05 -0.05 -0.02 -0.01 0.01 0.00 -0.01 -0.06 0.00 -0.01 0.12 -0.03 0.00 -0.01 -0.03 0.04 0.05 0.09 -0.02 0.01 0.00 0.00 0.03 0.01 0.04 -0.00 -0.00 0.04 0.06 -0.02 0.06 0.05 -0.01 0.00 0.02 -0.02 0.04 -0.06 -0.01 0.01 0.06 -0.03 0.02 -0.04 0.03 -0.02 -0.02 0.04 -0.03 -0.06 -0.01 -0.02 -0.04 0.08 -0.05 -0.11 -0.05 0.02 0.01 0.02 -0.02 -0.05 -0.05 0.02 0.02 0.00 -0.01 -0.03 -0.02 0.04 0.04 -0.03 0.04 0.02 0.01 0.02 0.05 -0.01 0.01 -0.00 0.03 -0.02 0.02 0.01 -0.03 -0.00 0.00 0.05 -0.01 -0.01 0.06 0.08 -0.07 0.07 0.03 0.01 0.08 0.07 -0.02 0.08 0.05 -0.31 0.18 -0.34 0.10 -0.46 0.05 0.18 0.33 0.35 -0.01 0.05 -0.10 0.10 -0.04 -0.03 0.11 -0.07 -0.13 -0.11 0.05 0.06 -0.10 0.04 0.06 -0.04 0.06 0.02 0.03 0.03 0.07 -0.03 0.00 -0.03 0.05 -0.04 0.02 0.02 -0.06 -0.02 0.04 0.02 0.01 0.01 -0.05 -0.05 0.14 -0.14 0.28 -0.08 0.16 0.03 0.16 0.09 0.00 -0.02 0.03 -0.05 0.06 0.01 0.11 0.01 -0.02 0.03 0.01 -0.04 0.04 -0.03 -0.03 0.03 0.02 0.02 0.00 0.02 -0.03 0.05 0.03 -0.04 0.05 0.00 0.07 0.02 0.05 -0.02 0.02 -0.10 0.12 -0.05 -0.03 0.05 -0.08 -0.11 0.08 -0.01 0.07 0.06 -0.07 -0.07 -0.06 -0.05 0.08 0.05 -0.02 -0.03 -0.11 -0.02 0.05 -0.05 0.03 -0.05 -0.06 -0.06 -0.06 -0.07 -0.07 -0.09 -0.07 -0.07 -0.07 0.01 -0.06 -0.10 0.01 -0.06 -0.09 0.08 -0.06 0.02 -0.06 0.05 -0.02 -0.05 0.02 -0.05 -0.08 0.12 0.15 -0.03 -0.12 -0.04 0.21 -0.01 -0.14 0.06 -0.15 0.08 -0.29 0.07 0.14 0.15 0.22 0.03 -0.04 0.07 -0.09 0.13 -0.04 0.10 0.09 -0.10 -0.16 -0.08 -0.07 -0.05 -0.15 0.01 -0.07 -0.09 -0.07 -0.11 -0.09 -0.10 -0.06 0.03 -0.04 -0.10 0.04 -0.06 -0.09 0.18 -0.05 0.05 -0.01 -0.01 -0.00 -0.06 -0.04 -0.02 -0.07 0.00 -0.00 0.02 0.06 0.01 0.03 -0.01 0.01 -0.01 -0.02 0.03 0.01 0.02 0.02 0.03 0.03 0.03 0.05 0.01 0.03 0.06 0.05 0.01 -0.08 0.10 -0.01 0.14 0.01 0.03 0.04 -0.03 0.01 0.04 0.04 0.03 0.02 -0.02 -0.02 -0.01 0.01 -0.03 -0.01 -0.01 -0.03 -0.00 -0.00 -0.06 -0.01 0.00 -0.04 -0.04 -0.01 -0.04 -0.01 -0.01 -0.05 -0.04 -0.00 -0.05 -0.04 -0.00 0.01 0.05 -0.02 0.02 0.06 -0.01 -0.00 0.07 -0.02 0.00 -0.00 -0.00 -0.01 0.01 -0.01 -0.02 -0.06 -0.00 0.02 0.06 -0.02 0.03 0.06 0.04 0.14 0.11 -0.11 -0.27 0.00 0.33 0.13 -0.43 0.14 0.23 0.09 0.17 -0.08 0.47 -0.01 -0.21 -0.02 -0.12 0.04 0.04 -0.06 0.00 -0.02 0.00 -0.07 0.01 0.01 -0.04 -0.05 -0.03 -0.04 -0.04 -0.01 0.03 0.08 -0.01 -0.00 0.09 -0.03 0.00 -0.02 0.01 -0.02 -0.01 -0.01 -0.03 -0.13 0.01 0.01 -0.07 -0.06 -0.04 -0.01 0.02 0.11 -0.02 0.09 0.05 -0.07 -0.07 -0.07 -0.03 -0.04 0.04 -0.02 -0.09 -0.04 -0.12 -0.06 0.02 0.02 0.06 0.03 0.06 0.01 0.01 0.06 0.09 -0.00 0.04 0.09 0.01 -0.01 0.05 -0.02 0.07 -0.08 0.00 -0.02 0.00 -0.04 0.04 -0.05 0.07 -0.03 -0.05 -0.03 0.03 0.07 0.09 -0.00 -0.08 -0.14 0.11 0.20 0.06 -0.01 0.01 -0.07 0.09 0.12 0.01 0.02 0.03 -0.02 0.06 0.09 0.03 -0.00 -0.09 0.05 0.00 -0.05 -0.03 0.02 -0.10 0.01 -0.02 0.00 -0.07 0.01 -0.05 -0.05 -0.02 -0.00 0.02 0.08 0.01 -0.00 0.09 0.12 -0.06 -0.02 0.15 0.04 0.01 0.03 -0.00 0.13 0.12 -0.21 0.10 -0.19 0.09 -0.33 0.06 0.15 0.21 0.27 -0.00 0.07 -0.13 0.07 -0.07 -0.09 -0.17 0.12 0.22 0.17 -0.06 -0.08 0.07 -0.02 -0.02 0.09 0.00 -0.05 -0.06 0.03 -0.16 0.04 -0.03 0.05 -0.12 0.02 -0.05 -0.08 -0.03 0.04 0.07 -0.05 -0.05 -0.03 -0.05 -0.06 -0.04 0.02 -0.06 -0.00 0.03 -0.05 -0.01 0.04 -0.02 -0.00 -0.01 0.02 -0.01 0.01 0.00 -0.01 0.06 0.05 0.02 0.04 0.05 -0.01 0.05 0.03 -0.01 0.06 0.06 0.00 0.01 0.05 0.01 -0.03 0.06 -0.01 0.04 -0.02 0.01 -0.02 0.04 -0.02 0.01 -0.00 -0.01 -0.00 0.01 -0.01 0.00 0.01 -0.02 -0.01 0.00 0.00 0.00 0.00 -0.01 -0.02 -0.00 0.00 0.00 -0.01 -0.01 -0.00 -0.01 0.00 -0.02 0.02 0.00 -0.02 0.02 0.02 -0.02 0.02 0.01 -0.01 0.01 0.02 -0.00 0.02 0.02 0.01 0.01 0.01 0.04 0.06 -0.01 0.06 0.05 -0.17 -0.26 0.44 0.25 -0.14 -0.34 -0.12 0.55 0.07 0.08 -0.07 0.20 -0.03 0.15 0.05 -0.03 -0.11 -0.07 0.02 -0.07 0.09 -0.06 0.01 -0.00 -0.02 -0.01 0.01 0.01 0.00 0.00 0.01 0.01 -0.01 0.00 -0.03 0.02 0.02 -0.03 0.03 0.01 -0.00 0.00 0.03 0.01 0.02 0.03 0.03 0.01 -0.05 -0.01 -0.00 0.00 0.05 0.05 -0.12 -0.07 -0.13 0.05 0.16 -0.11 0.30 0.13 0.02 0.01 -0.08 -0.00 -0.03 0.01 0.00 0.05 -0.02 0.01 0.02 -0.01 0.01 0.05 -0.02 0.02 0.04 0.04 0.01 0.05 -0.10 -0.01 -0.01 -0.01 -0.01 0.11 0.10 -0.02 -0.04 -0.01 -0.01 -0.04 0.03 -0.01 -0.05 -0.03 0.04 -0.02 0.01 0.01 -0.16 -0.03 0.06 -0.02 -0.07 0.00 -0.13 -0.07 0.02 -0.05 -0.06 0.00 -0.11 -0.08 -0.00 0.03 0.03 0.00 0.04 0.05 0.02 0.03 0.05 0.00 0.03 -0.00 0.03 0.02 0.00 0.01 0.02 -0.06 0.03 0.00 0.01 0.03 0.09 -0.06 0.03 0.02 0.09 -0.06 0.06 0.09 0.08 0.04 0.01 -0.00 -0.25 -0.01 -0.24 0.15 -0.48 -0.03 0.22 0.12 0.20 -0.01 -0.02 -0.03 -0.15 0.02 -0.02 -0.20 -0.05 0.09 0.01 -0.10 -0.05 -0.01 -0.05 -0.03 0.06 0.07 0.02 0.04 0.06 0.00 0.03 -0.02 0.03 0.01 -0.01 0.01 0.01 -0.13 0.03 -0.03 -0.02 -0.02 -0.01 0.04 0.02 0.04 -0.08 0.08 0.06 -0.03 0.05 0.00 0.00 0.03 -0.00 -0.02 -0.04 -0.02 0.06 -0.02 -0.00 0.04 -0.04 0.01 0.01 -0.01 0.05 0.01 -0.06 -0.02 0.07 -0.02 -0.02 -0.04 -0.08 -0.01 -0.05 0.05 0.04 0.00 -0.01 -0.03 -0.04 0.04 0.05 -0.06 0.08 0.06 -0.06 0.03 0.03 -0.06 0.08 0.07 -0.07 -0.01 0.03 -0.04 0.06 0.02 -0.03 -0.02 -0.00 -0.03 0.03 0.01 -0.04 0.01 -0.01 0.11 -0.04 -0.02 0.19 -0.05 -0.04 0.18 -0.05 -0.04 0.05 -0.05 -0.06 0.02 -0.05 -0.08 -0.13 -0.05 0.00 0.03 -0.01 0.06 0.00 -0.05 -0.15 -0.12 0.20 0.16 -0.04 -0.24 -0.09 0.37 0.00 0.02 -0.13 0.08 -0.03 0.09 -0.11 -0.05 -0.17 -0.22 0.00 -0.09 0.07 0.04 -0.03 0.10 0.08 -0.10 -0.02 0.00 -0.02 0.09 -0.02 0.02 0.04 -0.02 0.26 -0.06 -0.04 0.24 -0.07 -0.04 0.03 -0.04 -0.06 -0.02 -0.04 -0.10 -0.33 -0.04 -0.02 0.01 0.01 0.02 0.03 -0.01 0.03 -0.01 -0.07 -0.01 0.04 0.30 0.02 0.04 0.06 0.01 -0.02 -0.01 0.15 -0.18 0.01 -0.03 0.02 -0.08 -0.02 -0.01 -0.04 0.03 0.00 -0.08 -0.04 0.05 -0.08 -0.05 -0.00 -0.11 -0.00 -0.09 0.08 0.02 0.04 0.07 0.00 -0.07 0.06 0.06 -0.01 -0.10 0.03 -0.01 -0.03 -0.06 0.07 -0.24 -0.09 0.04 0.07 0.03 -0.02 -0.03 -0.09 0.04 0.08 -0.06 0.03 0.05 -0.07 0.04 0.06 0.02 -0.02 -0.02 0.03 -0.04 0.00 0.01 -0.03 -0.02 0.03 -0.01 0.02 0.00 0.00 0.00 0.01 0.02 0.02 -0.02 0.01 -0.06 0.04 -0.01 -0.09 -0.12 -0.05 0.03 0.09 0.01 -0.20 -0.09 0.24 -0.09 0.07 -0.11 0.08 -0.08 0.22 -0.14 -0.14 -0.18 -0.29 -0.01 -0.13 0.14 0.25 -0.16 -0.22 -0.11 0.05 0.09 0.10 -0.06 -0.09 -0.05 0.02 0.04 0.05 -0.06 0.00 0.00 -0.05 -0.03 0.03 -0.01 0.04 -0.02 0.01 -0.00 0.01 0.06 0.03 -0.08 -0.03 -0.02 0.02 0.03 0.06 -0.01 -0.02 0.03 -0.01 -0.05 0.04 0.08 -0.08 0.04 0.00 0.04 0.01 -0.02 0.03 0.02 0.09 0.03 0.01 0.07 -0.02 0.02 0.06 -0.05 -0.03 0.00 0.06 0.15 0.00 0.06 -0.11 0.02 0.05 -0.12 0.04 -0.08 0.02 -0.04 0.04 -0.11 -0.01 0.01 0.03 -0.05 0.04 -0.05 -0.00 -0.00 0.05 -0.04 0.04 -0.05 -0.06 0.01 -0.05 -0.00 0.02 -0.03 -0.03 -0.02 -0.04 -0.01 -0.01 -0.03 0.00 -0.02 0.00 0.01 -0.06 0.01 0.01 -0.06 0.01 0.01 -0.02 0.02 0.01 -0.01 0.01 0.02 0.05 0.01 0.08 -0.05 0.09 0.04 -0.06 -0.11 -0.21 -0.13 0.37 0.10 -0.05 -0.04 0.01 0.37 0.27 0.12 -0.01 0.03 -0.00 0.31 -0.20 -0.19 -0.10 -0.23 0.04 0.09 -0.20 0.04 0.05 0.06 -0.05 0.06 -0.05 -0.09 0.00 -0.06 -0.03 -0.04 -0.03 0.01 -0.10 0.01 0.01 -0.09 0.01 0.01 -0.02 0.01 0.01 -0.00 0.01 0.03 0.13 0.01 0.02 0.03 0.04 0.02 -0.06 0.00 -0.00 0.03 -0.02 -0.02 0.01 -0.00 0.14 -0.02 0.03 0.00 -0.05 -0.01 0.02 -0.05 -0.01 -0.09 -0.08 0.02 -0.10 -0.09 -0.00 -0.09 -0.12 0.02 -0.07 0.07 -0.08 -0.05 0.08 0.12 -0.04 0.13 -0.14 0.00 -0.04 0.02 0.03 0.14 -0.14 0.00 -0.01 -0.03 0.04 -0.04 0.05 -0.01 0.02 -0.06 0.05 -0.04 0.04 0.05 -0.01 0.05 0.02 -0.02 0.02 0.03 0.01 0.03 0.02 0.01 0.02 -0.01 0.01 0.00 -0.01 0.05 -0.01 -0.01 0.05 -0.00 -0.01 0.02 -0.02 -0.01 0.01 -0.01 -0.02 -0.04 -0.02 -0.07 -0.14 0.02 -0.06 -0.16 0.02 -0.18 -0.03 0.03 0.19 0.06 -0.19 -0.19 0.33 -0.14 0.20 0.11 0.16 -0.16 0.29 0.20 -0.15 0.03 0.09 -0.08 0.27 -0.19 -0.01 -0.06 -0.07 0.05 -0.05 0.03 0.07 0.00 0.06 0.04 0.03 0.03 -0.02 0.08 -0.01 -0.01 0.08 -0.00 -0.01 0.03 -0.02 0.00 0.01 -0.01 -0.02 -0.11 -0.02 -0.20 -0.00 -0.00 0.25 -0.01 -0.03 -0.05 0.07 -0.01 -0.07 0.07 -0.06 -0.14 0.04 -0.05 0.02 -0.09 -0.04 0.03 -0.10 0.05 0.06 0.03 0.03 0.05 -0.01 0.01 -0.03 0.03 0.02 -0.01 -0.00 0.19 0.08 0.03 0.05 0.01 -0.14 -0.06 -0.08 0.05 -0.02 0.02 -0.16 -0.07 -0.08 0.06 -0.09 -0.03 -0.01 0.12 -0.05 0.17 -0.16 0.07 -0.05 0.07 0.01 0.01 0.11 0.09 -0.06 -0.01 0.11 -0.02 -0.00 0.10 -0.02 -0.03 -0.03 -0.01 0.04 -0.04 0.07 0.01 -0.02 0.07 0.03 -0.03 0.04 -0.04 0.00 0.01 -0.00 -0.02 -0.07 -0.04 0.03 0.01 0.09 -0.04 0.05 -0.01 -0.12 -0.07 0.26 -0.11 -0.06 0.15 0.08 0.05 0.33 0.10 0.05 0.02 0.06 0.02 0.08 0.10 0.06 0.08 0.03 -0.18 -0.06 -0.11 -0.10 -0.20 0.07 -0.05 0.06 -0.01 0.05 0.17 0.13 -0.01 -0.02 -0.09 0.11 0.00 -0.00 0.12 0.05 -0.04 0.07 -0.06 0.04 0.00 0.00 -0.02 -0.16 -0.05 -0.12 0.02 0.02 0.19 -0.04 -0.04 0.08 -0.06 -0.03 0.07 0.00 -0.00 -0.04 0.06 -0.03 -0.02 0.07 0.03 -0.01 0.13 -0.06 -0.10 -0.04 0.02 -0.05 0.02 -0.05 -0.01 0.06 0.08 -0.08 0.04 -0.05 -0.02 0.03 0.17 -0.04 -0.08 -0.05 0.01 0.07 0.01 0.03 -0.10 -0.05 0.04 -0.07 0.07 0.08 -0.04 -0.14 0.01 -0.22 0.18 -0.03 0.03 -0.05 0.05 -0.03 -0.13 -0.10 0.07 0.05 -0.13 0.05 0.04 -0.14 0.06 0.08 0.03 0.01 -0.04 0.05 -0.05 -0.01 0.02 -0.05 -0.04 0.03 -0.03 0.03 -0.01 -0.01 -0.00 0.01 0.05 0.03 -0.08 0.10 -0.12 0.01 0.08 0.21 -0.14 0.02 -0.03 0.05 0.06 -0.08 -0.15 0.15 -0.10 0.13 0.08 0.15 -0.11 0.06 0.30 0.04 0.06 0.19 -0.04 -0.09 -0.01 0.00 0.12 0.21 -0.02 0.04 -0.05 0.12 -0.08 -0.20 -0.15 0.04 0.06 0.09 -0.09 -0.01 0.00 -0.08 -0.07 0.04 -0.05 0.06 -0.05 -0.02 -0.01 0.01 0.11 0.05 -0.03 -0.00 -0.00 0.04 -0.01 -0.02 -0.10 -0.07 0.08 0.10 -0.06 0.06 0.03 -0.01 0.01 -0.00 0.05 0.00 -0.07 -0.07 -0.02 -0.10 -0.04 0.02 -0.00 0.07 -0.06 0.05 0.09 0.10 -0.03 0.04 -0.15 -0.09 0.02 0.07 -0.00 -0.02 0.00 0.07 0.01 0.05 0.00 -0.04 0.02 0.12 0.02 0.03 -0.11 0.10 0.08 0.21 0.11 -0.01 -0.10 0.04 -0.01 -0.14 0.05 0.08 0.03 -0.03 -0.12 0.05 -0.07 -0.10 0.07 -0.12 -0.15 -0.00 0.02 0.00 -0.01 -0.03 0.01 0.00 -0.03 0.01 -0.00 -0.02 0.01 0.01 -0.01 0.01 0.01 0.03 0.01 -0.03 0.18 -0.22 0.05 0.17 0.28 0.00 0.06 -0.17 0.15 0.09 -0.15 -0.16 0.09 -0.29 0.01 0.04 0.06 -0.12 0.09 0.09 -0.13 0.02 0.07 0.01 -0.06 0.03 0.19 -0.04 -0.02 -0.16 0.02 0.04 -0.26 0.08 0.13 0.07 -0.03 -0.12 -0.01 -0.05 0.01 0.01 -0.05 0.02 -0.01 -0.04 -0.00 0.01 -0.02 0.01 0.02 0.07 0.00 0.02 0.01 0.01 -0.02 0.00 0.00 -0.07 -0.04 -0.05 0.01 0.00 0.02 -0.03 0.01 0.01 -0.09 0.15 0.20 -0.02 -0.03 0.01 -0.00 0.02 -0.07 -0.05 -0.02 -0.04 0.01 -0.04 -0.13 -0.09 -0.02 0.09 0.12 -0.01 0.08 -0.03 0.01 -0.01 0.01 0.01 -0.05 0.00 0.01 -0.00 0.03 0.02 0.01 0.03 -0.00 0.05 0.04 0.07 -0.02 0.06 -0.03 -0.02 -0.02 -0.02 0.09 -0.03 0.01 0.02 0.06 -0.06 0.00 -0.00 -0.07 -0.00 0.08 0.02 -0.12 0.11 -0.02 -0.10 0.02 -0.03 -0.14 0.04 -0.03 0.04 -0.08 0.01 -0.03 -0.05 0.03 0.04 -0.04 -0.04 0.00 0.04 -0.10 -0.18 -0.20 -0.06 0.12 -0.23 -0.05 0.10 0.03 -0.00 0.25 0.17 -0.01 0.10 0.03 -0.09 0.26 0.32 0.03 0.06 -0.05 0.05 0.01 0.04 -0.03 -0.03 0.08 -0.08 -0.04 -0.08 -0.00 0.12 0.10 -0.04 -0.04 0.22 -0.01 -0.10 -0.04 -0.02 -0.27 0.09 -0.05 0.13 -0.18 0.04 -0.04 -0.08 0.08 0.09 -0.02 -0.01 -0.01 0.02 -0.00 -0.00 -0.02 0.01 -0.04 -0.03 0.01 -0.05 -0.01 -0.02 -0.03 -0.05 0.07 0.12 0.00 0.01 0.02 0.03 -0.02 0.09 0.05 -0.00 0.08 -0.03 0.02 0.15 0.14 0.02 -0.08 -0.14 0.00 -0.12 0.02 -0.00 0.00 -0.03 -0.01 0.05 -0.01 0.00 -0.02 -0.04 0.01 -0.01 0.03 -0.02 0.02 -0.04 0.02 -0.01 0.07 -0.03 -0.01 0.01 -0.02 0.04 -0.02 0.01 0.05 0.04 -0.02 0.02 -0.00 -0.01 0.04 0.05 -0.00 -0.07 0.06 -0.01 -0.07 0.01 0.00 -0.09 0.02 -0.00 0.02 -0.05 0.01 -0.02 -0.04 0.01 0.02 0.06 -0.01 0.08 -0.06 0.06 0.16 0.27 0.06 -0.11 0.28 0.05 -0.09 -0.00 -0.01 -0.27 -0.23 0.00 -0.14 -0.02 0.11 -0.36 -0.41 -0.05 -0.10 0.05 -0.04 -0.03 -0.07 0.00 -0.02 0.10 -0.06 -0.04 -0.00 -0.01 0.06 0.07 -0.04 -0.00 0.12 0.01 -0.06 -0.02 0.02 -0.17 0.06 0.00 0.08 -0.11 0.02 -0.03 -0.06 0.02 0.05 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.01 0.01 -0.00 0.00 0.00 0.00 0.01 -0.00 -0.00 -0.00 -0.00 0.01 0.00 -0.01 0.00 0.00 0.00 -0.00 -0.00 0.01 -0.00 -0.00 0.00 0.01 0.00 0.00 -0.00 0.00 -0.01 -0.00 -0.00 -0.00 -0.00 0.01 0.00 -0.00 -0.00 -0.00 -0.01 -0.01 -0.00 -0.00 -0.01 -0.00 -0.01 -0.03 -0.00 -0.01 0.00 0.01 -0.00 0.00 0.01 0.01 -0.01 -0.01 -0.00 0.01 0.00 0.02 -0.00 -0.01 -0.00 0.00 0.00 0.02 0.21 0.00 -0.03 -0.20 0.01 -0.02 -0.20 0.00 0.02 0.20 -0.01 0.00 -0.00 -0.00 -0.00 -0.01 0.01 -0.00 -0.01 -0.00 0.01 0.00 0.00 0.01 -0.00 -0.00 0.00 -0.00 -0.00 -0.01 -0.00 -0.00 0.00 0.00 -0.02 -0.01 -0.00 -0.01 -0.00 0.00 -0.00 -0.01 -0.01 0.00 -0.03 0.02 0.03 -0.01 0.01 0.02 -0.02 0.01 0.02 0.04 0.46 -0.00 -0.06 -0.44 0.02 -0.05 -0.44 -0.00 0.05 0.46 -0.01 0.00 -0.00 -0.00 0.00 -0.00 0.01 0.00 -0.01 0.01 -0.03 -0.17 -0.08 0.03 0.01 -0.02 -0.15 -0.04 -0.02 0.05 -0.05 -0.09 -0.14 -0.01 0.16 0.00 -0.01 0.02 -0.02 -0.05 0.05 0.00 -0.03 -0.01 0.02 0.00 -0.01 -0.02 -0.01 -0.00 -0.01 -0.01 0.01 0.01 -0.02 -0.02 0.00 0.07 -0.08 0.11 0.19 0.01 0.11 0.09 -0.04 0.21 0.38 0.04 0.10 -0.02 -0.14 0.15 -0.08 -0.08 -0.10 0.02 0.02 -0.03 -0.03 0.08 -0.25 -0.03 0.14 -0.03 0.02 0.04 -0.04 0.04 0.04 -0.02 -0.03 0.05 -0.02 -0.03 -0.01 0.03 0.02 0.01 0.02 0.00 -0.02 -0.01 -0.07 0.09 0.03 -0.08 -0.04 0.04 0.00 -0.01 0.05 0.00 -0.01 -0.00 0.00 -0.04 -0.04 -0.02 0.00 -0.00 -0.01 -0.04 -0.04 -0.02 -0.01 -0.02 -0.03 0.04 0.16 0.14 -0.03 0.22 -0.15 -0.25 0.21 -0.20 -0.25 0.07 0.00 -0.01 -0.08 0.06 0.04 -0.01 -0.10 0.10 -0.04 -0.08 -0.05 0.07 0.04 0.01 0.03 -0.00 -0.03 -0.01 -0.00 -0.04 -0.05 0.05 0.01 0.01 0.03 -0.05 -0.05 -0.04 -0.05 0.09 -0.10 0.03 0.00 -0.04 0.01 -0.01 0.02 0.06 -0.04 -0.10 -0.04 0.13 0.10 -0.16 0.04 0.05 0.05 -0.08 0.01 -0.03 0.03 0.06 0.08 0.13 0.04 -0.05 0.00 -0.11 0.01 -0.00 -0.18 0.20 -0.06 0.04 -0.02 -0.01 0.00 -0.02 -0.06 0.07 -0.01 0.08 -0.02 -0.04 0.00 -0.02 -0.03 -0.02 0.01 0.07 0.03 -0.03 0.01 -0.04 0.03 0.09 0.00 -0.04 0.00 0.00 0.02 -0.01 -0.01 -0.00 -0.00 -0.00 0.00 -0.01 -0.01 0.03 -0.00 -0.02 -0.03 -0.01 0.13 0.17 -0.36 -0.04 0.25 0.25 -0.20 0.01 -0.06 -0.00 0.06 0.01 -0.08 0.08 -0.00 0.26 0.14 0.01 -0.08 0.16 0.21 -0.01 0.10 0.14 0.15 0.06 -0.17 -0.04 0.03 -0.02 0.19 -0.02 -0.14 0.02 -0.05 -0.06 0.10 -0.12 -0.04 0.00 0.07 -0.01 -0.01 0.01 -0.02 0.00 0.02 0.00 -0.00 0.07 -0.00 -0.02 -0.06 -0.00 0.01 0.01 -0.01 -0.01 0.01 -0.00 -0.06 -0.02 -0.04 -0.00 0.01 -0.03 -0.03 -0.02 -0.01 0.07 0.08 0.03 -0.01 0.01 0.03 0.02 -0.05 0.00 -0.00 -0.02 -0.02 -0.01 -0.02 0.02 0.01 0.01 0.01 0.01 0.01 -0.01 0.00 0.03 -0.04 -0.01 -0.01 0.01 0.00 -0.08 0.08 0.01 0.03 -0.01 0.09 -0.01 -0.02 -0.01 0.03 0.01 -0.07 0.07 0.10 0.12 -0.10 -0.04 0.17 -0.05 -0.11 -0.12 0.03 0.18 0.10 -0.10 -0.06 0.03 0.07 0.02 -0.01 -0.02 -0.03 -0.04 -0.00 0.01 -0.02 -0.02 -0.04 -0.04 -0.03 -0.00 -0.05 0.05 -0.04 0.00 -0.03 -0.01 -0.02 -0.02 0.02 -0.06 0.01 -0.00 0.06 0.04 0.03 0.00 0.06 0.02 0.05 0.04 -0.05 0.00 0.05 -0.02 -0.06 0.02 0.02 -0.01 0.11 -0.12 -0.01 0.04 -0.00 -0.34 0.16 0.33 0.13 -0.13 -0.09 -0.40 0.18 0.41 -0.07 -0.09 -0.03 -0.06 -0.04 -0.03 -0.02 -0.08 -0.02 -0.02 -0.10 0.00 -0.05 0.09 -0.04 0.03 0.06 -0.01 0.02 -0.02 -0.04 0.01 -0.03 0.03 0.01 0.00 0.01 0.01 0.02 -0.02 -0.02 -0.01 -0.02 -0.01 -0.02 -0.03 0.07 0.00 0.02 -0.16 -0.04 0.00 -0.07 -0.05 0.03 0.07 0.03 0.07 0.01 -0.00 -0.08 -0.16 0.11 -0.14 -0.02 0.03 0.05 0.00 -0.23 0.26 0.03 -0.01 0.01 -0.01 0.01 0.02 0.09 -0.01 0.01 0.01 -0.02 -0.03 -0.01 0.03 0.02 -0.06 0.02 0.00 0.03 0.01 -0.05 -0.05 0.02 -0.01 -0.01 0.00 -0.00 -0.00 -0.00 0.02 0.01 -0.00 0.00 0.01 -0.00 0.01 0.02 -0.00 0.00 0.03 0.00 0.01 -0.16 -0.10 0.19 -0.03 -0.18 -0.15 -0.00 0.02 0.07 0.09 0.04 0.07 0.09 0.08 0.10 -0.06 -0.02 -0.08 0.07 0.01 -0.19 -0.08 -0.03 -0.08 -0.23 0.47 -0.40 0.02 -0.01 0.01 0.07 -0.08 -0.07 -0.00 0.04 0.04 0.10 0.01 -0.12 0.02 -0.00 0.02 0.02 -0.01 0.02 -0.00 0.00 0.00 0.01 -0.01 0.00 0.03 0.00 0.01 0.00 0.00 0.00 0.01 -0.01 -0.01 -0.06 0.03 -0.09 -0.00 -0.02 0.03 0.04 -0.00 0.01 0.20 0.05 -0.06 0.02 -0.00 -0.05 -0.01 0.06 0.00 -0.02 0.02 0.01 0.00 0.01 -0.01 0.00 -0.00 -0.00 -0.01 -0.01 -0.00 -0.03 0.01 0.01 -0.00 -0.00 0.01 -0.00 0.01 -0.00 -0.01 -0.03 -0.00 -0.05 0.02 0.03 -0.01 -0.10 0.01 0.08 0.04 -0.00 -0.08 -0.04 0.06 0.01 0.06 0.10 0.11 -0.13 0.01 -0.02 -0.02 0.13 0.07 0.21 0.08 -0.03 -0.01 -0.02 -0.09 -0.01 0.06 -0.04 -0.09 -0.09 -0.07 -0.08 -0.00 -0.08 0.15 -0.09 -0.03 0.03 0.03 -0.00 0.01 -0.04 0.06 -0.01 0.02 -0.05 -0.03 -0.02 0.01 -0.04 -0.00 -0.07 -0.04 0.03 0.01 -0.06 -0.01 0.05 -0.02 -0.04 -0.03 0.01 0.01 0.00 0.00 0.02 0.24 0.01 -0.14 -0.12 -0.08 0.03 0.26 -0.28 -0.10 -0.20 -0.21 -0.02 -0.13 -0.23 0.03 -0.05 -0.31 -0.06 0.01 -0.32 0.01 -0.07 0.22 -0.10 0.00 -0.00 0.00 -0.04 0.03 0.02 0.02 -0.09 0.07 -0.00 0.04 -0.05 -0.06 0.04 -0.03 -0.01 0.08 -0.07 0.03 -0.01 0.00 0.03 -0.16 -0.01 0.06 -0.06 -0.03 -0.02 -0.03 0.03 -0.01 0.01 0.01 0.03 0.03 -0.00 0.08 -0.03 -0.00 -0.01 0.04 0.00 0.01 -0.01 -0.02 -0.03 -0.04 0.01 0.06 -0.07 0.11 -0.09 -0.01 -0.05 0.02 -0.09 0.04 0.08 0.02 0.11 -0.10 0.04 -0.09 -0.00 0.09 -0.09 -0.10 0.04 -0.10 -0.02 0.19 -0.01 -0.01 -0.01 0.05 0.01 -0.01 0.01 0.00 -0.08 0.03 0.03 -0.08 -0.00 0.07 0.11 0.02 0.08 -0.07 -0.07 -0.01 -0.00 0.11 -0.17 0.02 -0.04 0.11 0.08 0.07 -0.02 0.11 0.03 0.20 0.12 -0.10 -0.02 0.15 0.01 -0.12 0.06 0.08 0.09 -0.08 0.03 -0.11 -0.10 -0.04 0.03 -0.22 0.04 0.17 0.10 0.19 0.08 0.25 -0.19 0.00 -0.17 0.05 0.02 -0.19 0.07 -0.03 -0.26 -0.01 -0.01 -0.26 -0.00 0.08 0.18 0.02 -0.03 -0.02 -0.03 0.05 -0.02 -0.02 0.02 -0.04 0.03 -0.04 -0.06 -0.02 0.12 -0.08 0.06 -0.03 0.04 -0.01 0.00 -0.00 0.04 -0.09 0.26 0.04 0.02 0.11 0.06 0.00 0.03 -0.07 -0.01 -0.03 -0.04 -0.07 -0.03 0.06 -0.00 0.08 -0.01 -0.00 -0.10 -0.06 -0.01 -0.01 0.06 -0.03 -0.02 0.01 0.03 -0.04 0.05 -0.06 0.07 -0.04 0.01 -0.05 0.02 0.09 -0.01 0.02 -0.02 -0.00 -0.07 -0.04 0.07 -0.01 -0.04 0.02 -0.05 -0.01 0.07 -0.01 0.00 -0.00 0.02 0.01 -0.00 -0.01 0.00 -0.03 0.02 0.02 -0.03 -0.00 0.03 0.04 0.02 0.03 0.09 0.08 -0.04 0.08 -0.10 0.35 -0.05 0.06 -0.22 -0.18 -0.16 -0.01 -0.26 -0.11 -0.29 -0.17 0.22 -0.02 -0.21 0.07 0.18 -0.08 -0.07 0.02 0.13 -0.14 -0.03 -0.08 -0.04 -0.03 -0.11 0.06 0.17 0.02 0.04 -0.06 0.18 -0.01 0.02 -0.06 0.02 0.02 -0.06 0.02 -0.01 -0.09 0.00 -0.01 -0.09 -0.00 0.04 0.07 0.02 -0.04 -0.03 -0.05 -0.02 0.02 0.02 -0.02 -0.01 -0.00 0.02 0.07 0.06 -0.09 0.10 -0.00 0.01 -0.01 -0.01 0.01 -0.01 -0.04 -0.06 0.02 0.04 0.17 -0.11 0.14 -0.05 -0.11 -0.11 -0.03 -0.04 -0.05 -0.09 -0.01 0.09 0.22 0.10 -0.07 0.00 0.08 -0.08 0.03 -0.06 0.08 0.04 0.01 0.00 0.01 0.02 -0.02 0.05 -0.06 0.02 -0.02 0.03 -0.00 -0.03 0.02 0.01 -0.01 0.01 0.02 0.03 -0.02 0.00 0.01 -0.02 0.00 0.00 -0.02 0.01 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.01 -0.00 -0.00 0.01 0.00 -0.01 -0.01 -0.00 0.28 -0.33 0.21 0.01 -0.18 -0.08 0.18 -0.04 -0.01 -0.05 -0.09 -0.12 -0.08 -0.14 -0.15 -0.06 -0.02 0.11 -0.11 0.00 0.12 -0.06 -0.02 0.08 0.26 0.26 -0.40 0.05 0.04 0.03 -0.01 0.04 -0.01 -0.09 0.02 0.02 0.04 -0.04 -0.01 -0.01 0.02 -0.00 -0.00 0.02 0.00 0.00 0.04 -0.00 0.01 0.03 0.00 -0.01 -0.02 -0.01 -0.02 -0.02 -0.01 -0.01 0.01 0.01 0.10 0.12 0.02 -0.12 0.03 0.06 0.11 0.07 -0.01 -0.04 -0.06 0.09 -0.07 -0.07 -0.08 0.01 0.01 -0.05 0.05 -0.01 -0.01 -0.16 0.01 0.03 -0.03 -0.02 0.00 0.06 0.02 -0.05 0.09 -0.01 0.05 -0.14 0.04 0.08 0.02 0.02 -0.00 -0.09 -0.08 0.02 -0.15 -0.08 0.05 0.41 0.08 0.06 0.01 -0.12 -0.04 0.03 -0.06 -0.14 0.05 -0.11 -0.03 -0.11 0.04 -0.02 0.01 0.09 0.02 0.05 0.11 -0.01 0.02 0.03 -0.04 0.02 0.03 -0.01 -0.01 -0.05 -0.01 -0.02 -0.05 0.02 -0.02 0.08 -0.00 0.10 -0.11 0.04 -0.22 0.08 -0.01 -0.04 -0.03 0.01 -0.12 -0.04 0.00 0.03 -0.05 0.06 0.11 0.04 -0.06 0.03 0.05 -0.02 0.04 0.03 -0.04 0.11 -0.10 0.11 -0.16 -0.15 -0.04 0.02 -0.05 -0.05 0.22 -0.08 -0.20 -0.16 -0.05 0.03 0.01 -0.12 -0.04 -0.02 -0.12 -0.06 -0.01 -0.24 0.03 -0.05 -0.23 0.02 -0.02 0.07 -0.01 -0.02 -0.02 -0.01 0.00 0.00 -0.00 -0.08 -0.10 -0.06 -0.11 0.03 0.03 0.08 -0.02 -0.01 0.03 0.19 -0.11 0.02 -0.03 -0.12 0.01 0.05 -0.05 0.02 0.02 -0.03 -0.13 0.01 0.04 -0.03 -0.01 -0.00 0.06 0.02 -0.05 0.05 -0.00 0.05 -0.12 -0.03 0.09 0.01 0.03 0.00 -0.02 0.04 -0.04 0.03 0.05 0.10 0.14 -0.17 0.04 0.11 0.09 0.08 0.07 -0.09 0.11 0.06 0.15 -0.08 -0.00 -0.04 0.02 -0.09 -0.03 0.00 -0.08 -0.14 -0.01 -0.03 -0.05 0.07 -0.02 -0.05 0.01 0.02 0.08 0.02 0.04 0.07 -0.04 0.05 -0.12 0.02 0.05 -0.04 0.00 -0.21 0.10 -0.02 -0.02 -0.03 0.02 -0.14 -0.05 -0.01 0.03 -0.05 0.06 0.07 0.02 -0.04 0.04 0.02 -0.03 0.08 0.02 -0.06 0.06 -0.09 0.13 -0.07 0.10 0.00 0.12 -0.03 0.08 0.14 -0.13 0.05 0.09 0.08 -0.08 0.01 0.20 0.07 0.05 0.19 0.08 0.01 0.36 -0.05 0.06 0.36 -0.04 0.05 -0.07 0.03 -0.02 -0.02 -0.01 0.01 -0.00 -0.00 -0.05 -0.15 0.05 -0.09 0.03 -0.02 0.06 -0.06 -0.01 0.02 -0.15 0.06 0.02 -0.00 -0.06 0.00 0.05 -0.05 0.01 0.01 -0.02 -0.12 0.01 0.06 -0.04 -0.01 -0.01 0.07 0.02 -0.05 0.04 0.02 0.05 -0.11 -0.05 0.10 0.02 0.03 0.02 0.05 0.12 -0.06 0.16 0.10 -0.11 0.02 -0.11 0.02 -0.14 0.01 -0.09 0.08 0.26 0.03 -0.11 -0.09 0.07 0.20 0.14 0.10 0.02 -0.08 -0.03 0.07 0.02 0.02 0.02 0.01 -0.07 0.02 0.02 0.02 -0.02 -0.02 -0.03 -0.03 -0.01 0.06 -0.07 0.04 -0.02 0.04 -0.05 0.01 -0.21 0.10 -0.01 -0.04 -0.03 0.01 -0.16 -0.05 -0.03 0.02 -0.05 0.05 0.09 0.01 -0.04 0.05 0.02 -0.02 0.11 0.02 -0.07 0.04 -0.05 0.13 0.05 0.24 0.02 -0.19 0.01 -0.04 -0.12 0.31 0.12 0.15 0.28 0.13 -0.03 -0.08 -0.07 -0.03 -0.08 -0.06 0.00 -0.12 0.04 -0.01 -0.12 0.07 -0.05 -0.01 -0.05 0.01 0.00 0.00 -0.00 0.00 0.00 0.02 -0.07 0.02 0.03 -0.02 -0.01 -0.00 0.04 0.00 0.16 0.09 0.11 0.02 -0.02 -0.01 0.00 -0.03 0.02 -0.00 -0.00 0.00 0.02 -0.00 -0.02 0.02 0.00 0.01 -0.02 -0.00 0.02 -0.01 -0.01 -0.01 0.02 0.03 -0.04 -0.00 -0.01 -0.01 -0.02 -0.08 0.05 -0.15 0.04 0.13 -0.06 -0.01 -0.06 -0.04 -0.06 -0.07 0.07 0.09 -0.05 0.06 -0.08 -0.11 -0.01 0.12 -0.05 -0.15 0.07 0.02 0.14 -0.10 0.09 0.03 -0.06 -0.11 -0.03 -0.06 0.10 -0.01 0.06 -0.09 -0.06 0.08 0.12 -0.17 -0.08 -0.09 -0.01 0.01 -0.00 0.05 -0.03 0.01 0.01 0.01 -0.00 0.05 0.02 0.02 0.00 0.02 -0.01 -0.01 0.00 0.01 -0.02 0.01 0.01 -0.04 -0.00 0.03 -0.01 0.00 -0.03 -0.05 -0.16 -0.01 0.02 -0.13 -0.12 0.38 0.02 -0.20 0.18 0.12 -0.21 -0.11 0.11 -0.11 -0.08 0.11 -0.05 0.08 0.28 0.04 0.11 0.30 0.12 -0.13 -0.04 -0.13 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.01 -0.01 0.02 0.00 -0.00 -0.01 0.01 0.01 -0.00 -0.02 0.01 0.09 -0.00 -0.00 0.01 0.00 -0.00 -0.01 -0.00 -0.00 0.00 -0.01 0.00 0.01 -0.00 -0.00 -0.00 0.01 0.00 -0.01 0.01 0.01 0.01 -0.01 0.00 0.00 0.00 0.01 0.01 -0.00 -0.02 0.01 0.00 -0.02 -0.02 0.00 0.03 -0.01 -0.04 -0.03 -0.03 0.01 0.05 -0.02 -0.03 -0.04 0.02 0.01 0.04 -0.00 0.01 0.00 -0.01 -0.04 -0.00 0.13 0.12 -0.03 0.26 -0.31 0.03 0.04 0.36 -0.02 -0.08 -0.10 0.01 -0.33 0.04 -0.03 -0.13 0.00 -0.01 0.01 -0.02 0.00 0.00 -0.01 -0.00 -0.00 -0.01 -0.00 0.00 0.00 -0.00 0.01 0.02 0.01 -0.01 0.01 0.01 -0.00 0.01 0.00 -0.00 0.00 0.01 0.02 -0.00 -0.03 -0.00 -0.05 -0.02 -0.02 -0.00 0.07 0.00 -0.01 0.04 0.02 -0.06 0.01 0.25 -0.26 0.07 0.15 0.32 0.03 -0.17 0.07 0.04 -0.32 -0.19 0.02 0.22 -0.12 -0.09 -0.08 0.06 -0.04 -0.04 0.01 0.04 0.00 0.09 -0.06 -0.05 0.01 0.01 -0.02 0.05 0.03 -0.01 -0.02 0.03 0.08 0.02 -0.08 -0.07 -0.10 -0.04 0.07 -0.03 0.01 0.06 -0.07 -0.03 -0.06 0.13 0.01 -0.11 0.06 0.26 0.23 0.02 0.03 0.07 0.09 0.23 0.21 0.04 -0.06 0.03 0.04 -0.08 -0.04 -0.08 0.10 -0.01 0.00 -0.01 0.03 -0.06 -0.04 0.01 -0.04 0.04 0.03 -0.05 -0.03 -0.08 0.01 0.02 -0.04 0.03 -0.01 0.02 0.00 -0.02 -0.03 0.00 -0.02 0.03 -0.01 0.02 -0.02 -0.00 0.02 0.04 -0.04 -0.02 -0.01 -0.01 -0.17 0.03 0.01 -0.09 -0.03 -0.25 -0.00 -0.13 -0.08 0.03 0.03 -0.02 0.04 0.04 0.21 0.05 -0.16 0.10 0.03 -0.06 0.12 0.04 -0.08 -0.02 0.41 0.29 0.07 -0.10 0.01 -0.01 -0.00 0.04 -0.12 0.03 0.11 -0.09 -0.03 -0.04 -0.02 0.03 -0.03 -0.01 0.02 -0.01 0.01 0.10 0.01 0.04 0.09 0.04 -0.02 -0.00 -0.04 0.05 0.03 0.03 -0.03 0.02 0.02 0.00 0.03 0.02 -0.01 0.01 -0.02 0.02 -0.01 -0.01 0.12 0.04 -0.01 -0.04 0.02 0.06 -0.02 0.09 -0.02 0.05 -0.03 0.02 -0.05 0.01 0.06 -0.04 0.00 -0.02 0.01 0.01 -0.01 -0.01 -0.11 -0.09 -0.04 -0.01 0.05 -0.03 -0.10 -0.09 -0.00 -0.03 -0.01 0.19 -0.18 -0.13 0.07 0.11 0.04 -0.00 -0.03 0.09 -0.07 -0.05 0.05 -0.15 0.09 0.11 -0.08 -0.02 -0.17 0.04 0.02 -0.13 0.09 -0.03 0.06 0.03 -0.06 -0.05 -0.02 -0.05 0.08 0.02 0.04 -0.06 -0.02 0.05 0.08 -0.09 -0.06 -0.05 0.03 -0.03 0.09 -0.08 0.06 0.05 0.05 -0.03 0.04 -0.13 -0.07 -0.08 -0.02 -0.06 -0.01 -0.02 -0.02 0.03 0.01 -0.02 0.01 0.08 -0.00 -0.05 0.03 -0.15 -0.15 -0.02 -0.05 -0.02 -0.07 -0.03 0.14 -0.32 0.19 0.39 -0.25 0.11 -0.03 -0.07 0.03 -0.06 -0.05 0.03 -0.01 0.08 0.19 0.03 0.10 0.19 0.09 -0.07 -0.03 -0.08 -0.03 -0.03 -0.02 0.02 -0.01 -0.02 -0.00 -0.00 0.01 -0.10 0.06 0.06 -0.01 -0.01 0.04 0.03 0.00 -0.00 -0.01 -0.02 -0.04 0.04 -0.14 0.10 -0.06 0.16 -0.15 0.03 -0.06 -0.18 0.18 0.02 0.11 -0.12 -0.03 0.10 -0.00 0.06 0.08 -0.01 -0.04 -0.15 0.02 0.08 0.06 -0.05 0.03 -0.03 0.08 -0.06 -0.05 0.12 -0.02 0.03 0.01 -0.01 0.03 0.00 -0.01 0.02 -0.06 0.03 0.05 -0.01 0.01 -0.04 0.02 -0.00 -0.06 0.03 -0.00 0.02 0.01 -0.02 -0.02 -0.01 -0.01 0.03 0.01 0.01 -0.02 -0.01 0.01 0.03 -0.03 -0.01 -0.02 -0.05 0.18 -0.26 0.02 -0.03 -0.13 0.11 0.08 0.02 0.36 0.13 0.21 0.12 0.09 0.05 -0.12 0.02 0.03 -0.08 0.03 -0.00 -0.32 -0.01 0.19 -0.03 -0.03 0.28 -0.08 0.06 -0.02 -0.03 -0.02 0.06 -0.10 0.09 0.16 -0.09 0.10 0.02 -0.02 -0.00 -0.02 -0.02 -0.00 -0.00 0.03 0.04 0.01 0.03 0.04 0.03 -0.03 -0.01 -0.02 -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 -0.01 -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 0.01 -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 0.00 -0.00 -0.01 0.00 -0.03 -0.02 0.01 -0.00 -0.00 -0.12 0.01 0.02 0.08 -0.01 0.00 0.08 0.02 -0.00 -0.15 -0.01 -0.02 -0.15 0.02 -0.01 0.09 -0.01 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.02 -0.00 -0.01 0.00 0.03 -0.00 0.01 0.02 0.01 0.01 -0.04 0.05 0.51 -0.01 0.05 0.53 -0.00 0.03 0.11 0.00 0.04 0.12 0.01 0.04 0.58 -0.02 -0.00 -0.00 -0.00 0.01 -0.01 -0.01 0.02 0.01 0.00 -0.05 0.17 0.03 -0.10 -0.14 -0.00 -0.04 -0.09 0.07 0.01 -0.01 -0.07 -0.01 0.01 -0.02 -0.00 -0.04 0.09 0.22 0.02 0.04 -0.08 -0.01 -0.06 0.03 0.01 -0.03 -0.04 0.04 0.01 0.12 -0.07 0.05 -0.02 0.03 0.02 -0.06 0.22 -0.12 0.00 0.03 0.05 0.06 -0.13 0.05 0.06 -0.01 0.08 -0.01 -0.08 0.05 0.03 -0.02 -0.04 -0.12 0.00 -0.13 -0.06 0.06 -0.05 0.04 -0.02 0.03 0.05 0.02 -0.03 -0.01 0.02 0.04 0.06 0.01 -0.04 -0.02 0.02 0.04 -0.05 0.03 -0.04 -0.06 0.11 -0.04 0.25 -0.02 0.04 -0.12 -0.00 -0.08 -0.04 0.00 -0.06 -0.10 0.02 -0.07 0.02 -0.03 0.02 0.02 -0.05 0.02 0.14 -0.01 -0.08 -0.06 0.22 -0.16 -0.15 0.31 -0.05 0.02 -0.03 0.12 0.12 -0.08 0.02 -0.03 0.05 -0.22 -0.01 -0.14 -0.03 -0.06 -0.15 -0.00 0.08 -0.21 0.04 0.03 -0.21 0.05 -0.09 -0.21 -0.01 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.04 -0.02 0.01 -0.00 -0.01 0.01 -0.01 0.01 0.00 0.01 -0.01 -0.02 0.01 -0.01 -0.02 0.00 -0.01 -0.00 0.00 -0.01 0.04 0.04 0.02 0.01 -0.02 -0.01 -0.01 0.01 -0.00 -0.01 -0.01 0.01 0.00 0.02 0.01 -0.01 -0.01 0.00 0.00 -0.03 -0.00 0.02 -0.15 0.08 0.11 -0.01 -0.03 -0.01 0.09 -0.01 -0.04 0.11 -0.03 -0.09 -0.17 0.11 0.17 -0.07 0.05 0.05 0.19 -0.09 -0.17 0.01 -0.00 0.01 0.01 -0.01 -0.01 -0.00 -0.00 0.01 0.01 -0.01 -0.01 -0.00 -0.01 0.02 -0.01 -0.00 -0.01 -0.01 0.02 0.02 0.06 0.00 0.03 -0.04 -0.00 -0.02 -0.00 0.00 -0.01 -0.02 0.01 -0.02 0.02 0.00 -0.01 0.00 -0.00 0.00 0.02 0.00 -0.01 -0.01 0.05 -0.05 -0.04 -0.02 0.00 0.50 -0.16 -0.39 0.13 -0.03 -0.10 -0.36 0.21 0.30 0.00 0.07 -0.01 0.00 0.04 0.00 0.02 0.06 0.01 0.02 0.04 0.02 -0.00 0.08 -0.01 0.02 0.01 0.01 0.03 -0.02 -0.01 0.02 0.02 0.01 -0.08 0.04 0.04 -0.01 -0.01 0.05 0.04 0.06 -0.03 -0.01 -0.02 -0.03 0.01 -0.10 0.01 0.05 0.02 0.18 0.09 0.09 0.00 -0.08 -0.03 -0.06 0.07 -0.01 -0.05 -0.08 0.02 0.01 0.05 -0.04 -0.16 -0.13 0.02 0.01 -0.11 -0.02 0.00 0.02 -0.06 -0.04 0.08 0.01 -0.00 -0.07 -0.05 -0.05 0.02 0.04 -0.00 -0.03 -0.04 -0.01 0.10 0.00 0.08 0.00 -0.01 0.05 -0.01 0.09 -0.02 -0.04 -0.05 0.02 0.00 -0.05 -0.03 -0.05 0.00 0.03 0.01 -0.01 -0.04 0.03 -0.07 0.02 -0.01 0.14 0.11 0.12 0.14 0.20 -0.17 -0.01 -0.10 -0.01 0.02 -0.02 -0.11 0.01 -0.07 0.16 0.06 -0.13 0.06 0.04 -0.05 0.00 0.03 0.01 -0.04 0.13 -0.23 -0.18 -0.05 -0.02 -0.17 -0.02 0.03 -0.13 0.09 0.10 0.04 -0.01 0.14 0.00 0.10 0.02 0.04 0.12 -0.01 -0.04 0.32 -0.03 -0.01 0.34 -0.05 0.07 0.31 0.01 -0.02 -0.01 -0.01 -0.03 0.01 0.01 0.04 0.06 0.02 0.02 0.09 -0.03 -0.05 -0.06 -0.05 0.03 0.03 -0.01 0.00 -0.00 -0.01 -0.02 0.10 -0.02 -0.05 -0.06 -0.11 0.10 -0.06 0.03 0.03 0.02 0.01 -0.05 0.02 0.04 0.05 -0.00 -0.00 0.03 0.00 0.19 0.13 -0.00 -0.00 -0.03 0.03 -0.02 -0.02 -0.02 0.02 0.01 -0.01 0.00 -0.07 -0.07 -0.06 0.01 -0.02 0.01 -0.05 -0.05 -0.01 0.03 -0.02 0.06 0.02 -0.02 0.01 0.00 0.14 -0.01 -0.03 -0.06 0.01 -0.00 -0.06 -0.03 -0.04 -0.00 0.02 0.01 -0.01 -0.03 0.01 -0.09 0.02 -0.05 -0.03 -0.18 0.10 -0.16 -0.18 0.08 0.01 0.03 0.01 0.00 -0.00 0.03 0.02 0.02 -0.15 -0.08 0.16 -0.05 -0.08 0.07 0.10 -0.04 -0.06 -0.01 0.06 0.09 -0.12 0.02 -0.02 -0.06 -0.12 -0.07 -0.02 -0.04 -0.01 0.02 -0.05 0.08 0.01 0.10 0.01 0.03 0.10 -0.01 -0.01 0.42 -0.03 0.01 0.42 -0.04 0.07 0.41 0.00 0.01 0.00 0.01 0.01 -0.00 -0.01 0.04 0.07 0.01 0.02 -0.03 0.01 0.02 0.01 0.02 -0.06 -0.09 0.02 0.01 0.02 0.01 0.01 -0.03 0.01 0.02 0.05 0.01 -0.13 -0.00 -0.02 -0.00 -0.00 0.01 0.03 -0.01 -0.02 -0.01 0.01 -0.00 -0.03 -0.01 -0.08 -0.08 -0.00 0.00 0.16 0.10 -0.04 0.02 0.09 0.04 -0.06 -0.05 0.02 -0.01 -0.00 -0.01 -0.02 -0.09 0.08 -0.02 -0.03 -0.04 -0.09 -0.04 -0.01 0.01 -0.00 -0.05 0.03 0.15 0.01 0.02 -0.04 -0.02 -0.00 -0.04 0.02 0.04 -0.01 -0.02 -0.01 -0.01 0.03 -0.03 -0.08 -0.01 0.05 -0.04 0.11 -0.16 0.07 0.07 0.02 -0.01 0.02 -0.03 -0.02 -0.01 0.01 -0.03 0.01 0.07 0.05 -0.08 0.02 0.05 -0.04 -0.07 0.02 0.04 0.04 -0.15 0.07 0.27 0.17 0.01 0.02 -0.10 -0.03 0.19 -0.25 -0.16 0.11 -0.09 -0.19 0.01 -0.01 -0.02 -0.01 -0.01 0.00 0.09 0.32 0.02 0.07 0.35 0.03 0.01 0.41 -0.01 0.01 0.00 0.00 0.02 -0.01 -0.01 0.10 0.15 0.03 -0.00 0.03 -0.02 -0.00 -0.02 -0.02 0.03 0.13 -0.06 0.01 -0.00 -0.01 0.01 -0.02 0.00 0.02 0.04 0.01 -0.01 -0.01 -0.05 -0.01 -0.01 -0.01 -0.01 -0.00 0.01 0.00 0.01 0.00 -0.01 -0.00 0.07 -0.10 0.01 0.01 0.04 0.03 0.00 0.02 0.04 0.03 -0.01 -0.01 -0.01 -0.18 -0.08 -0.17 0.04 -0.13 0.11 -0.14 -0.00 -0.08 0.05 -0.08 0.11 0.00 -0.05 -0.02 -0.02 -0.17 0.00 0.02 0.02 -0.01 -0.01 0.03 0.04 0.03 0.01 -0.02 0.00 0.02 0.05 -0.01 0.09 -0.02 0.04 -0.00 0.03 -0.03 0.01 -0.08 -0.02 -0.00 -0.01 0.01 0.00 0.01 -0.01 0.00 -0.01 0.03 0.01 0.00 -0.02 0.01 0.02 -0.02 0.00 0.02 0.04 -0.08 0.00 0.01 0.04 0.00 -0.14 -0.34 -0.19 -0.06 -0.21 0.03 0.05 -0.03 0.11 0.00 0.10 -0.01 -0.00 0.08 0.04 0.02 -0.32 0.02 0.03 -0.35 0.07 -0.06 -0.45 -0.02 0.04 0.01 0.01 0.06 -0.02 -0.02 -0.03 -0.05 -0.01 0.02 -0.02 -0.08 0.02 -0.01 -0.10 -0.00 -0.03 0.02 -0.01 0.01 0.01 0.04 -0.10 -0.01 0.08 0.11 0.07 0.06 -0.01 -0.27 -0.03 -0.03 -0.02 -0.08 -0.03 0.06 0.01 0.04 0.02 -0.06 0.06 0.40 -0.35 0.03 0.03 -0.01 -0.03 -0.01 -0.01 -0.02 -0.01 -0.00 0.02 0.00 0.05 0.02 0.06 -0.02 0.05 -0.04 0.05 -0.00 0.03 -0.01 0.03 -0.03 0.00 0.02 0.01 0.00 0.04 -0.00 -0.01 0.00 0.01 0.00 -0.01 -0.02 -0.02 0.00 0.01 -0.00 -0.01 -0.02 0.01 -0.03 0.01 0.14 -0.01 0.10 -0.01 -0.01 -0.51 -0.13 0.01 -0.09 0.09 0.05 0.05 -0.06 0.04 -0.04 -0.00 0.00 0.04 -0.13 -0.01 0.13 -0.09 -0.00 0.10 0.15 -0.19 -0.11 -0.04 -0.03 -0.01 0.06 0.11 0.04 0.04 0.07 -0.02 -0.00 0.00 -0.04 -0.02 -0.06 0.01 0.01 0.02 -0.02 -0.02 0.06 -0.00 -0.01 0.13 -0.03 0.02 0.13 0.01 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.02 -0.01 0.01 -0.01 0.02 0.00 -0.00 -0.01 0.00 0.03 0.02 -0.00 -0.01 0.01 0.02 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.01 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.01 -0.00 0.01 0.00 -0.00 -0.01 -0.03 -0.03 0.03 -0.05 -0.04 0.02 0.02 0.02 0.01 -0.02 -0.00 -0.07 0.06 0.05 -0.02 0.01 0.04 -0.07 0.05 0.07 0.08 -0.03 -0.06 -0.00 -0.02 -0.00 -0.01 0.00 0.01 0.00 0.00 -0.01 -0.02 0.00 0.01 0.00 0.00 -0.02 0.01 0.01 0.01 -0.01 0.02 -0.01 0.01 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.01 -0.00 -0.00 -0.01 0.03 -0.02 -0.03 -0.03 -0.03 -0.04 0.02 0.04 0.50 -0.22 -0.41 0.50 -0.24 -0.40 -0.01 0.03 0.01 0.01 0.01 -0.01 -0.04 -0.03 -0.01 -0.02 -0.05 -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 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.01 0.00 0.00 -0.01 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.01 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.01 -0.08 -0.00 0.01 0.08 0.00 -0.00 -0.07 0.00 0.01 0.06 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 0.01 -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 0.07 0.54 -0.01 -0.07 -0.53 0.01 0.05 0.45 -0.00 -0.04 -0.43 0.01 0.00 0.02 -0.00 -0.02 -0.00 -0.01 -0.03 0.01 0.01 -0.00 0.00 -0.00 -0.05 -0.12 -0.01 0.04 0.06 -0.01 -0.14 -0.02 -0.08 -0.00 -0.00 0.00 0.02 -0.05 -0.03 -0.01 -0.03 0.08 0.08 0.13 -0.09 0.02 -0.01 0.00 -0.05 -0.01 0.03 -0.02 -0.09 0.05 -0.05 0.04 0.07 0.17 -0.01 -0.04 -0.07 -0.03 -0.01 0.02 0.02 -0.02 0.02 0.01 0.00 0.04 0.03 -0.04 0.01 -0.02 0.04 -0.01 0.05 -0.04 0.03 -0.01 0.08 0.00 -0.02 0.00 -0.02 0.04 -0.01 0.08 -0.00 -0.05 -0.01 -0.00 0.08 0.13 -0.01 -0.06 0.00 -0.01 0.14 -0.06 -0.02 -0.03 -0.06 0.08 0.02 0.05 0.17 -0.11 -0.11 0.01 -0.06 0.08 0.05 0.07 0.03 0.06 0.03 -0.02 -0.01 0.03 -0.07 -0.02 0.07 -0.02 -0.01 0.03 -0.09 0.47 -0.43 -0.04 -0.03 -0.01 -0.18 0.12 0.14 0.01 -0.08 -0.03 0.16 -0.03 -0.03 0.06 -0.13 -0.06 -0.02 -0.02 0.08 0.20 0.01 0.07 0.15 0.10 0.15 -0.05 0.12 -0.03 -0.01 -0.00 -0.01 -0.02 0.01 0.01 0.02 0.02 0.01 -0.03 -0.07 -0.00 0.04 0.03 -0.00 0.14 -0.01 0.10 -0.01 0.02 0.02 0.02 -0.05 -0.02 -0.00 0.01 0.07 -0.01 0.11 -0.09 0.02 -0.01 0.00 -0.03 -0.02 0.02 -0.03 -0.09 0.06 -0.05 0.01 0.03 0.14 -0.00 -0.05 0.08 0.08 -0.09 0.01 0.02 0.02 -0.02 -0.03 0.03 -0.05 -0.03 0.02 0.01 -0.03 0.03 -0.00 -0.06 0.02 -0.04 0.00 -0.08 -0.02 0.01 -0.02 0.03 -0.03 0.02 -0.07 0.01 0.05 0.01 -0.01 -0.08 -0.13 0.02 0.05 -0.00 0.00 -0.14 0.05 0.01 0.03 -0.04 0.06 0.08 -0.06 0.22 -0.04 -0.07 -0.00 -0.03 0.04 0.03 0.05 0.04 0.03 0.04 0.02 0.01 -0.01 -0.05 0.00 0.04 -0.06 0.00 0.05 -0.08 0.45 -0.44 0.17 0.12 -0.06 0.17 -0.18 -0.16 0.03 0.00 0.07 -0.12 0.11 -0.01 -0.06 0.07 0.06 0.02 0.07 -0.08 -0.20 -0.04 -0.08 -0.14 -0.04 -0.15 0.04 -0.11 0.03 -0.01 -0.01 -0.00 -0.02 0.01 0.00 0.00 0.00 0.00 -0.02 -0.04 -0.00 0.01 0.01 -0.00 0.01 -0.00 0.01 -0.00 0.00 0.00 0.03 -0.03 0.02 0.00 0.02 0.12 0.04 0.06 -0.05 -0.05 -0.02 -0.02 -0.00 -0.01 0.01 -0.04 0.09 -0.15 0.00 0.01 0.02 0.15 -0.05 0.02 -0.02 0.02 -0.03 0.00 0.00 -0.00 0.00 -0.01 0.01 0.01 -0.01 -0.01 0.01 -0.01 0.01 -0.01 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.01 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.01 -0.01 0.00 0.00 -0.00 -0.00 -0.01 0.00 0.00 0.00 -0.02 0.03 0.17 0.05 -0.01 -0.16 -0.06 -0.00 -0.06 0.01 0.01 -0.01 -0.08 0.00 -0.06 0.00 0.01 -0.02 0.01 0.01 -0.02 -0.05 -0.00 0.03 -0.03 -0.59 0.68 0.00 0.03 -0.03 -0.05 0.01 0.04 0.01 -0.00 0.02 0.02 0.02 -0.02 -0.00 -0.00 0.00 0.00 0.02 -0.01 -0.02 -0.01 -0.01 -0.01 0.00 -0.01 0.00 -0.02 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.01 -0.00 -0.01 0.01 0.01 -0.00 -0.00 0.00 -0.04 0.02 -0.02 -0.02 0.02 0.03 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 0.01 -0.01 0.00 -0.00 -0.00 0.01 -0.00 0.00 0.00 -0.04 -0.07 0.02 -0.05 -0.04 0.01 0.01 0.04 -0.12 0.05 0.11 -0.02 0.03 0.01 0.05 -0.02 -0.05 0.04 -0.00 0.01 -0.00 0.00 0.01 -0.01 0.01 -0.01 0.02 0.00 -0.01 -0.00 0.00 0.02 0.03 -0.00 -0.01 0.00 -0.00 0.03 -0.01 -0.00 -0.01 -0.00 0.01 -0.00 0.01 -0.00 -0.00 -0.00 0.00 -0.01 0.01 0.00 0.00 -0.01 0.00 -0.01 0.00 -0.00 0.00 -0.00 -0.00 0.01 0.01 -0.00 -0.01 -0.00 -0.03 0.04 0.01 -0.06 -0.09 0.69 -0.29 -0.56 0.11 -0.03 -0.10 -0.06 0.02 0.10 0.02 -0.03 -0.01 -0.00 -0.02 0.03 0.05 -0.01 0.02 0.03 0.02 0.04 -0.01 0.03 -0.01 -0.01 -0.00 -0.00 -0.02 0.01 0.01 -0.01 -0.01 -0.01 0.03 0.23 -0.05 -0.02 -0.13 -0.01 -0.02 0.01 -0.02 0.04 -0.05 -0.05 0.04 -0.05 0.10 0.03 0.20 0.06 -0.09 -0.05 -0.12 -0.10 -0.01 -0.03 0.08 -0.02 -0.01 -0.08 -0.07 0.01 -0.01 -0.08 0.06 0.19 -0.02 -0.04 0.11 -0.06 0.27 0.02 -0.01 0.00 -0.02 0.03 -0.09 -0.02 0.02 0.02 -0.04 0.03 -0.05 0.02 0.01 0.00 -0.03 -0.02 -0.02 0.02 -0.00 0.02 -0.01 0.00 -0.01 0.01 0.01 -0.01 -0.00 0.01 0.01 0.02 -0.00 -0.01 0.00 -0.00 0.02 -0.00 -0.00 -0.00 -0.01 0.16 0.31 -0.19 0.18 0.06 0.04 -0.02 0.01 -0.09 -0.05 -0.09 -0.16 -0.09 -0.13 0.06 0.07 -0.16 0.16 0.10 -0.20 -0.23 0.00 0.11 -0.10 0.15 -0.17 -0.08 -0.06 0.26 0.13 0.01 -0.10 -0.03 0.00 -0.09 -0.04 -0.16 -0.00 0.01 -0.04 -0.01 -0.00 -0.03 0.01 0.02 0.00 0.00 0.02 0.01 0.02 -0.00 0.03 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.01 -0.01 -0.00 0.01 -0.00 0.01 -0.00 -0.00 -0.00 -0.03 -0.01 -0.02 -0.01 0.01 0.01 0.00 -0.00 0.02 0.00 0.02 -0.01 -0.01 -0.02 -0.01 -0.02 0.00 -0.00 0.01 -0.00 -0.00 -0.00 -0.01 0.01 0.00 0.00 0.01 0.01 0.00 -0.00 0.01 0.01 -0.05 -0.02 -0.01 0.01 -0.00 -0.01 0.02 0.03 -0.02 0.02 -0.01 0.02 -0.02 0.01 -0.02 0.01 0.01 -0.00 -0.00 0.00 0.01 0.01 0.00 0.10 -0.00 -0.00 -0.11 -0.01 -0.01 -0.11 0.01 0.02 0.01 -0.01 0.00 0.01 0.02 0.00 0.09 -0.00 0.01 0.00 0.04 -0.01 -0.01 0.01 0.02 -0.00 0.01 -0.01 -0.01 -0.02 -0.03 -0.02 -0.03 0.00 0.01 -0.02 0.03 0.01 -0.03 -0.03 -0.00 0.01 -0.00 0.02 -0.03 0.04 0.00 -0.05 -0.04 0.02 0.08 0.01 0.02 -0.03 -0.05 -0.03 0.06 0.08 0.56 -0.01 0.07 0.58 -0.01 0.02 -0.05 0.01 0.01 -0.07 0.02 -0.05 -0.50 0.01 0.00 0.00 0.00 0.01 -0.00 -0.00 -0.00 0.01 0.00 -0.04 0.04 -0.03 0.02 -0.03 0.01 -0.01 -0.05 0.02 0.04 -0.06 -0.07 -0.02 -0.00 -0.13 -0.01 -0.15 0.06 0.01 0.14 0.02 0.12 0.00 0.02 -0.10 -0.00 0.01 0.02 0.05 -0.03 -0.03 -0.03 -0.03 -0.05 -0.00 0.02 0.02 0.01 0.23 0.07 0.03 -0.03 -0.00 0.02 -0.09 -0.04 0.06 0.01 0.00 -0.03 0.01 0.02 0.00 -0.01 -0.06 -0.01 -0.01 0.00 -0.00 -0.01 0.01 0.04 0.01 -0.01 -0.04 0.00 0.00 -0.04 -0.01 -0.01 0.00 0.00 -0.00 0.00 -0.01 0.00 0.03 -0.00 -0.03 -0.03 -0.17 -0.05 0.21 -0.02 -0.14 -0.01 -0.01 0.03 0.05 0.11 0.27 0.10 0.23 0.03 -0.03 0.09 -0.24 -0.08 0.26 0.15 0.02 -0.04 0.01 -0.10 0.16 -0.07 0.07 0.27 0.22 -0.03 -0.20 -0.07 -0.02 0.02 0.11 -0.07 -0.15 0.02 0.22 0.00 0.03 0.22 -0.02 -0.01 -0.01 0.00 -0.01 -0.02 -0.01 -0.02 -0.18 0.01 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.01 0.01 -0.01 -0.08 0.00 -0.00 0.05 -0.01 0.00 -0.05 0.03 0.01 -0.02 -0.03 0.01 0.01 0.07 -0.01 0.05 -0.04 0.03 -0.06 0.02 -0.07 -0.01 0.00 0.05 0.02 -0.01 0.01 -0.01 0.01 0.01 0.04 0.01 0.00 0.00 -0.01 -0.09 0.02 0.06 0.05 0.03 -0.03 0.01 0.01 -0.03 -0.05 0.07 -0.00 0.08 -0.08 0.01 0.02 0.01 -0.02 -0.08 0.04 0.05 -0.00 -0.01 -0.03 0.01 0.02 0.01 -0.01 -0.01 0.01 0.01 -0.02 -0.01 -0.02 0.00 0.01 -0.00 -0.00 -0.02 -0.00 0.01 -0.00 0.01 0.01 0.01 0.10 -0.21 -0.09 0.06 0.03 -0.03 0.06 0.00 -0.03 -0.19 -0.03 -0.16 -0.05 -0.01 -0.00 0.13 0.01 -0.13 -0.02 -0.02 -0.03 0.02 0.03 -0.06 -0.08 0.05 0.08 0.22 -0.02 -0.23 -0.34 0.12 0.33 0.44 -0.06 -0.40 -0.00 0.08 0.01 0.02 0.08 -0.02 -0.02 0.01 -0.00 -0.02 0.01 -0.02 -0.01 -0.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.01 0.01 -0.00 -0.03 -0.05 -0.01 0.00 0.03 -0.00 0.01 -0.05 0.03 0.01 -0.03 -0.03 0.00 0.01 0.04 -0.01 0.02 -0.02 0.04 -0.03 0.03 -0.04 -0.02 0.00 0.03 0.02 -0.00 0.01 -0.01 0.00 -0.00 0.02 -0.00 -0.01 -0.00 -0.00 -0.06 -0.00 0.09 0.06 0.03 -0.04 0.01 0.02 -0.04 -0.00 0.05 -0.04 -0.07 -0.00 0.12 -0.00 0.02 -0.00 0.06 -0.04 -0.07 -0.03 0.00 -0.00 0.01 0.01 0.01 -0.01 -0.01 0.01 0.01 -0.01 -0.01 -0.02 -0.00 0.01 -0.00 -0.00 -0.02 -0.00 0.01 -0.00 -0.00 0.02 -0.04 0.08 -0.15 -0.12 0.01 0.03 -0.04 0.08 0.02 0.01 -0.13 0.00 -0.11 -0.06 -0.02 0.03 0.09 -0.01 -0.08 0.02 -0.02 -0.04 0.02 0.01 -0.03 -0.08 0.04 0.12 -0.01 0.08 -0.04 0.47 -0.31 -0.36 -0.39 0.32 0.29 -0.01 0.05 0.01 0.01 0.05 -0.02 -0.02 0.01 -0.00 -0.02 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 -0.01 -0.00 -0.01 -0.00 0.00 -0.01 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.09 -0.02 0.01 0.00 -0.00 0.03 0.00 -0.03 -0.05 0.01 0.01 0.11 0.01 -0.00 -0.12 -0.02 0.01 -0.01 -0.00 0.01 0.03 0.01 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.01 0.06 -0.08 0.00 0.11 0.24 0.42 0.11 0.06 0.32 0.01 -0.02 -0.27 -0.09 -0.29 0.35 0.03 -0.06 -0.23 -0.04 0.31 0.36 0.11 -0.08 -0.02 -0.01 0.03 -0.00 -0.00 -0.00 -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 0.01 -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 0.03 -0.03 0.01 -0.01 0.01 -0.02 0.00 -0.02 0.01 -0.00 -0.00 -0.00 -0.01 0.01 -0.02 0.02 -0.03 0.01 -0.00 -0.07 -0.08 0.03 0.07 -0.03 0.01 -0.03 0.02 -0.04 0.02 -0.01 0.03 0.02 0.05 0.01 0.01 0.02 -0.08 0.00 -0.01 0.01 0.01 -0.02 0.01 0.00 -0.00 -0.01 0.03 -0.02 0.00 -0.02 0.04 0.00 0.01 -0.01 0.01 0.01 -0.00 -0.01 -0.00 -0.01 0.01 0.00 0.00 -0.00 -0.01 0.01 0.01 0.01 -0.00 -0.00 0.01 0.00 -0.00 -0.01 -0.01 -0.00 0.01 -0.00 -0.02 0.05 -0.03 0.01 0.26 0.66 0.12 -0.09 0.19 -0.34 -0.13 -0.16 0.24 -0.10 0.19 0.03 0.05 -0.10 0.04 0.09 -0.08 -0.19 -0.00 0.11 -0.07 0.01 0.09 -0.09 -0.00 -0.01 0.02 0.05 -0.05 0.05 -0.05 -0.01 0.01 0.11 -0.01 0.00 0.06 0.01 0.00 -0.04 -0.01 -0.01 -0.05 0.00 0.00 0.08 -0.01 -0.01 -0.03 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.01 0.01 -0.00 -0.01 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.01 0.00 -0.00 -0.00 0.01 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.01 0.00 -0.00 0.00 -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 -0.08 0.00 0.01 0.08 -0.00 0.01 0.09 -0.00 -0.01 -0.10 0.00 -0.00 0.01 -0.00 0.00 -0.01 0.00 0.00 -0.03 -0.07 -0.01 0.01 -0.02 0.04 0.01 0.02 -0.03 0.01 -0.02 0.00 -0.01 0.01 -0.01 -0.01 0.01 0.02 0.00 -0.01 0.01 -0.00 -0.01 0.01 0.01 0.00 -0.01 -0.01 0.01 -0.00 0.01 -0.00 -0.00 -0.02 0.00 0.05 0.42 -0.00 -0.05 -0.43 0.01 -0.05 -0.50 0.00 0.06 0.57 -0.01 -0.01 -0.06 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.12 -0.01 0.03 -0.00 -0.02 0.01 0.00 0.00 -0.00 0.01 -0.01 -0.02 0.03 -0.00 -0.05 0.01 0.06 -0.04 -0.04 0.05 0.05 0.00 0.03 0.00 -0.06 -0.08 -0.01 -0.02 -0.02 0.02 0.02 -0.02 -0.02 0.01 0.00 -0.00 -0.13 0.07 0.00 0.01 -0.01 -0.01 0.01 -0.00 -0.01 -0.00 -0.01 0.01 -0.01 0.01 0.01 -0.00 -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 0.08 -0.24 0.47 -0.01 -0.19 -0.35 0.13 -0.01 0.08 -0.10 -0.06 -0.09 0.04 -0.07 0.01 0.34 0.12 -0.20 -0.28 0.11 0.26 -0.09 0.11 0.22 -0.01 0.02 -0.03 -0.12 0.09 0.02 0.03 -0.03 -0.02 0.05 -0.03 -0.05 -0.01 0.03 0.02 0.00 0.00 -0.00 -0.00 0.01 0.00 -0.00 -0.02 0.00 -0.00 -0.02 0.00 0.01 0.02 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.01 -0.04 -0.00 0.00 0.02 -0.00 0.00 0.02 -0.01 0.01 -0.01 -0.02 -0.00 0.00 0.01 -0.00 -0.01 -0.00 0.01 -0.01 -0.01 -0.00 0.00 0.00 0.01 0.01 0.00 0.00 0.00 -0.00 -0.00 0.01 0.01 -0.00 0.00 0.00 -0.01 0.06 0.03 0.01 -0.01 -0.00 -0.00 -0.00 -0.02 0.00 -0.04 0.03 -0.01 0.03 -0.02 -0.00 -0.02 0.01 -0.01 -0.01 -0.00 0.01 0.00 0.00 -0.00 -0.01 -0.00 -0.00 -0.03 -0.04 -0.04 -0.02 0.02 0.01 0.09 -0.01 0.01 0.07 0.01 0.03 -0.10 0.03 -0.01 0.01 -0.04 0.02 0.01 0.07 0.01 -0.00 0.01 -0.01 -0.00 -0.01 -0.01 -0.01 -0.01 -0.03 -0.01 0.01 0.04 -0.00 -0.04 -0.01 -0.01 -0.01 0.00 0.00 0.01 0.02 0.12 0.07 0.02 -0.11 0.03 0.01 0.02 -0.04 -0.03 -0.10 0.03 0.02 0.22 -0.05 -0.03 0.17 0.01 -0.05 -0.52 -0.01 -0.05 -0.44 0.02 0.10 0.57 0.02 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.01 -0.09 -0.00 0.00 0.04 -0.01 0.00 0.06 -0.03 0.02 -0.03 -0.05 -0.01 -0.00 0.02 -0.01 -0.01 -0.01 0.01 -0.02 -0.02 -0.01 0.01 0.00 0.02 0.01 0.01 0.01 0.00 -0.00 -0.00 0.02 0.01 -0.01 0.00 0.00 -0.03 0.16 0.08 0.02 -0.03 -0.00 -0.00 -0.01 -0.04 0.01 -0.10 0.09 -0.03 0.07 -0.06 -0.01 -0.05 0.01 -0.01 -0.02 -0.00 0.02 0.00 0.01 -0.01 -0.01 -0.01 0.01 0.03 -0.12 -0.11 0.04 0.05 -0.00 -0.06 -0.01 -0.00 -0.05 0.02 0.11 0.05 0.07 -0.01 0.01 -0.06 0.03 0.02 0.14 0.03 -0.00 0.02 -0.01 -0.01 -0.02 -0.01 -0.02 -0.01 -0.06 -0.01 0.02 0.08 -0.01 -0.08 -0.02 -0.02 -0.03 0.01 0.00 0.01 0.05 0.31 0.18 0.05 -0.29 0.07 0.04 0.06 -0.11 -0.08 -0.28 0.08 -0.02 -0.20 -0.12 -0.14 -0.14 0.05 0.04 0.36 -0.03 0.02 0.30 0.01 0.09 -0.38 0.06 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.07 -0.00 0.00 0.03 -0.01 -0.01 0.06 -0.03 0.02 -0.03 -0.04 -0.01 -0.00 0.01 -0.01 -0.01 -0.01 0.00 -0.01 -0.01 -0.01 0.00 0.00 0.02 0.01 0.00 0.01 0.00 -0.00 0.00 0.02 0.01 -0.01 -0.00 0.00 -0.02 0.14 0.06 0.02 -0.03 -0.00 -0.00 -0.01 -0.03 0.01 -0.10 0.09 -0.03 0.08 -0.07 -0.02 -0.03 -0.00 -0.01 -0.02 0.01 0.01 -0.00 0.01 -0.04 -0.01 -0.03 -0.01 0.02 0.29 0.26 -0.03 -0.12 0.03 -0.01 -0.00 0.01 0.00 0.04 -0.26 0.02 -0.17 -0.01 -0.00 -0.04 0.02 0.01 0.10 0.02 0.00 0.01 0.00 -0.00 -0.01 -0.02 -0.01 -0.01 -0.05 -0.01 0.02 0.06 -0.01 -0.07 -0.01 -0.02 -0.02 0.01 0.00 0.00 0.05 0.27 0.15 0.03 -0.30 0.09 0.01 0.06 -0.11 -0.07 -0.30 0.09 0.03 -0.07 0.31 0.28 -0.05 -0.10 0.05 0.03 0.04 0.06 -0.02 0.03 -0.26 0.02 -0.19 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.20 0.02 0.04 0.00 -0.03 0.01 -0.00 -0.01 0.00 -0.00 -0.00 -0.01 -0.03 -0.02 0.01 -0.02 0.02 0.05 -0.12 0.01 -0.07 0.03 -0.09 0.01 0.01 0.10 -0.01 0.02 -0.01 -0.01 -0.01 -0.05 -0.01 0.01 -0.02 -0.02 -0.16 0.05 -0.03 -0.00 -0.00 -0.01 0.01 -0.00 0.00 -0.00 0.01 -0.01 -0.00 -0.01 0.01 -0.00 0.00 -0.00 0.01 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 -0.01 0.00 0.01 0.00 0.00 -0.01 -0.00 -0.00 -0.00 0.01 0.01 -0.07 -0.23 0.26 0.18 -0.30 0.04 -0.21 0.28 0.16 0.25 -0.03 0.17 0.02 -0.29 -0.14 0.26 0.13 -0.17 -0.09 0.23 -0.08 -0.27 0.05 -0.04 -0.05 -0.13 0.03 -0.03 0.02 0.03 -0.03 0.02 -0.03 -0.02 0.02 0.09 -0.01 0.01 0.01 -0.00 0.01 0.00 0.01 -0.00 -0.01 0.01 0.01 -0.00 -0.01 -0.00 0.01 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.01 0.00 0.00 -0.00 -0.00 0.00 0.02 -0.00 0.01 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.01 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.01 -0.01 0.00 -0.01 0.01 0.00 -0.00 0.01 -0.00 0.00 -0.01 0.00 0.00 0.00 -0.01 -0.00 -0.01 -0.08 0.01 0.07 0.02 -0.00 -0.10 0.11 -0.02 -0.13 -0.07 0.01 0.16 0.10 -0.01 0.06 0.00 -0.00 0.00 -0.01 0.00 -0.00 -0.01 0.00 -0.00 0.01 0.00 0.01 0.00 0.00 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 -0.00 0.03 -0.01 0.01 -0.00 0.01 0.00 0.03 -0.02 -0.45 0.05 0.05 -0.17 0.01 -0.49 -0.05 0.02 -0.46 -0.42 0.05 0.15 0.12 -0.02 0.05 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.07 -0.02 -0.01 -0.01 0.02 -0.01 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.03 0.01 -0.02 0.04 0.10 -0.04 0.02 -0.09 0.02 0.03 -0.05 -0.05 -0.07 0.04 -0.03 -0.04 -0.01 0.01 0.04 0.03 0.01 0.02 0.01 0.00 0.03 -0.01 0.01 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.09 -0.20 0.56 0.11 -0.04 0.38 -0.31 -0.03 -0.14 0.03 0.08 0.14 0.12 0.14 0.14 -0.00 -0.08 0.17 -0.18 -0.12 0.23 0.29 0.03 -0.14 -0.04 -0.01 0.02 0.00 0.01 0.02 -0.01 -0.01 0.01 0.01 0.01 0.01 -0.01 -0.02 0.00 0.01 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.01 -0.00 0.01 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.02 -0.00 -0.03 0.06 -0.01 0.09 -0.11 0.01 -0.02 -0.08 0.01 0.02 0.03 -0.00 0.07 0.04 -0.01 -0.07 0.00 0.01 -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 0.00 -0.00 -0.00 0.00 0.01 -0.00 -0.00 -0.01 -0.00 0.00 0.02 -0.00 0.49 -0.05 0.11 -0.32 0.03 -0.43 -0.17 0.01 -0.14 0.30 -0.03 0.09 0.27 -0.03 -0.43 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.03 0.01 -0.00 0.01 -0.03 0.01 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.02 -0.02 -0.02 -0.08 -0.06 -0.09 0.03 0.11 -0.04 -0.04 0.00 0.06 0.03 0.02 0.05 0.06 0.00 0.00 0.03 -0.00 0.00 -0.04 -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 -0.01 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.01 -0.47 0.56 0.01 0.28 0.24 0.21 0.07 0.02 0.15 -0.01 -0.05 -0.21 -0.07 -0.18 -0.20 -0.03 0.05 0.15 -0.01 -0.16 -0.12 -0.07 -0.01 0.03 0.03 0.07 -0.03 -0.02 -0.01 0.00 0.03 -0.02 0.01 0.01 0.02 0.00 0.01 -0.00 0.01 0.00 0.00 -0.01 0.00 -0.01 0.00 0.00 0.00 0.01 -0.00 0.00 0.01 -0.00 -0.01 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.02 0.02 0.01 0.02 0.01 -0.00 0.01 0.01 -0.00 0.01 -0.02 0.02 -0.00 0.00 0.00 -0.00 0.17 -0.03 0.08 -0.07 -0.04 0.05 -0.04 -0.01 -0.01 -0.11 0.02 0.02 -0.09 0.04 -0.08 0.01 0.00 -0.08 -0.01 -0.01 0.00 0.02 0.02 -0.00 -0.01 0.00 0.01 0.02 0.00 -0.00 0.00 0.00 0.04 -0.00 0.05 -0.02 0.01 -0.04 -0.03 0.02 -0.04 0.03 -0.00 0.03 -0.04 -0.04 -0.03 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 -0.01 0.00 -0.00 0.00 0.07 -0.05 -0.00 -0.04 0.18 0.14 -0.19 0.10 -0.26 0.35 0.16 0.23 -0.19 0.20 -0.10 0.11 0.12 -0.24 -0.01 0.22 -0.06 -0.31 0.04 0.27 -0.13 0.06 0.09 0.05 -0.02 -0.00 0.02 -0.11 0.08 -0.19 -0.10 -0.15 0.05 0.08 0.01 -0.03 0.00 -0.00 -0.01 0.00 -0.02 -0.02 0.00 -0.02 -0.02 0.00 -0.01 -0.00 -0.00 0.01 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.04 -0.05 -0.02 0.02 -0.01 0.00 0.00 0.01 -0.00 -0.02 0.04 -0.04 0.00 -0.00 -0.00 -0.01 0.08 -0.01 0.03 -0.02 -0.01 0.01 -0.02 -0.00 0.00 -0.05 0.01 0.01 -0.04 0.01 -0.03 0.00 0.00 -0.03 0.00 -0.00 0.00 0.01 0.01 -0.00 0.04 -0.00 -0.00 -0.02 0.01 -0.00 -0.00 -0.00 -0.10 0.00 -0.12 0.06 -0.02 0.09 0.07 -0.07 0.11 -0.08 -0.01 -0.09 0.10 0.08 0.08 -0.04 0.01 -0.02 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.02 -0.00 -0.00 0.01 -0.00 0.02 -0.01 0.00 -0.01 0.02 0.01 -0.04 -0.02 0.06 0.05 -0.11 0.04 -0.12 0.15 0.08 0.12 -0.07 0.10 -0.03 0.07 0.06 -0.13 -0.01 0.11 -0.03 -0.14 0.02 0.13 -0.04 0.02 0.03 0.03 0.04 0.00 -0.05 0.23 -0.19 0.49 0.29 0.40 -0.15 -0.30 -0.00 0.07 -0.01 -0.00 0.03 -0.00 0.07 0.04 -0.00 0.03 0.03 -0.00 0.02 -0.01 0.00 -0.01 -0.00 -0.00 -0.00 0.00 -0.01 -0.01 0.00 0.00 -0.00 0.05 0.02 0.01 0.01 0.03 -0.00 -0.00 -0.01 0.01 -0.00 0.00 0.00 0.12 -0.09 -0.03 0.20 -0.07 -0.07 0.03 -0.01 0.04 -0.07 0.05 0.02 -0.05 0.09 0.04 -0.19 0.01 0.02 -0.10 -0.03 -0.03 0.02 0.06 0.05 -0.02 -0.01 -0.01 0.03 0.03 0.02 -0.00 -0.00 0.00 -0.00 0.01 -0.01 0.02 0.03 0.00 -0.01 0.02 -0.02 -0.02 -0.03 -0.01 -0.01 -0.01 -0.00 0.01 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.21 -0.07 -0.10 -0.14 0.14 -0.16 0.25 0.02 0.10 -0.06 -0.11 -0.21 -0.14 -0.17 -0.15 -0.25 -0.13 0.30 0.02 -0.19 0.03 0.14 -0.07 -0.19 -0.30 0.13 0.14 0.02 -0.07 -0.05 -0.02 -0.08 0.02 0.10 0.10 0.07 -0.08 -0.26 0.06 -0.00 0.00 0.00 -0.00 0.00 -0.01 -0.01 0.00 -0.02 -0.01 0.00 -0.00 -0.01 0.00 0.01 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.01 -0.02 -0.00 0.00 -0.00 -0.00 0.00 0.01 -0.00 -0.00 0.05 -0.03 0.00 -0.01 -0.01 0.02 -0.01 -0.01 0.05 -0.02 -0.02 0.00 -0.01 0.01 -0.01 0.01 0.00 -0.01 0.01 0.01 -0.05 0.00 0.00 -0.02 -0.00 -0.01 0.00 0.01 0.01 0.04 0.05 0.02 -0.07 -0.07 -0.04 -0.00 0.00 -0.01 -0.01 -0.04 0.01 -0.04 -0.09 0.01 0.03 -0.08 0.08 0.04 0.08 0.00 0.04 0.05 0.02 -0.03 0.00 -0.02 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.01 -0.00 -0.00 0.00 0.00 0.02 -0.01 0.00 -0.00 0.05 -0.01 -0.04 -0.04 0.03 -0.04 0.04 0.01 0.01 -0.00 -0.02 -0.03 -0.03 -0.03 -0.03 -0.05 -0.02 0.05 0.00 -0.03 0.01 0.02 -0.01 -0.03 -0.07 0.03 0.03 0.16 0.20 0.13 0.04 0.22 -0.06 -0.25 -0.26 -0.15 0.20 0.73 -0.19 0.05 -0.01 0.00 0.04 -0.01 0.07 0.02 -0.00 0.01 0.00 0.00 0.02 -0.00 0.00 -0.01 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.01 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.01 -0.02 0.00 -0.01 -0.00 0.00 -0.02 -0.01 -0.00 -0.02 0.06 -0.01 -0.01 -0.03 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 0.01 0.01 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.01 -0.00 -0.06 0.01 -0.01 -0.15 0.01 -0.34 -0.09 0.01 -0.18 0.62 -0.06 0.02 -0.35 0.04 0.54 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.01 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 -0.01 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -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 -0.05 0.00 -0.01 -0.01 0.00 -0.03 0.02 -0.00 0.07 0.03 -0.00 -0.02 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 -0.01 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 -0.55 0.06 -0.03 -0.16 0.01 -0.33 0.28 -0.03 0.58 0.21 -0.02 -0.01 0.15 -0.02 -0.23 0.00 0.00 0.00 -0.00 0.00 0.00 -0.04 -0.06 -0.01 0.00 -0.01 0.01 0.00 0.00 0.00 -0.01 0.01 -0.01 -0.00 0.00 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 0.01 -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 -0.02 -0.03 -0.01 0.12 0.12 0.05 -0.00 -0.01 0.01 -0.03 -0.02 -0.02 -0.02 -0.03 -0.01 0.02 -0.02 0.04 -0.02 0.03 -0.05 0.10 0.14 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 -0.01 0.00 0.01 0.01 0.00 0.01 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.02 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.28 -0.30 -0.20 -0.12 -0.47 0.08 -0.47 -0.35 -0.34 -0.05 -0.08 -0.01 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -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 -0.08 -0.04 0.00 -0.03 -0.04 0.00 -0.01 -0.01 0.00 0.00 -0.00 -0.00 -0.17 -0.01 -0.07 0.14 0.01 -0.01 -0.15 0.06 -0.01 0.06 -0.02 0.04 0.05 0.01 0.04 -0.14 -0.01 0.02 0.28 0.08 0.05 0.04 0.02 0.02 0.03 0.01 -0.01 -0.01 -0.04 -0.00 0.00 0.00 -0.00 -0.00 0.01 -0.00 -0.01 -0.01 0.00 -0.01 0.03 -0.03 0.02 0.01 0.02 0.01 0.04 -0.01 0.03 -0.00 0.01 0.00 -0.00 0.00 0.00 -0.00 0.01 -0.01 0.00 0.00 -0.01 0.00 -0.01 0.00 -0.00 -0.00 0.41 -0.35 -0.22 -0.10 -0.14 -0.25 0.02 0.02 -0.01 0.13 0.05 0.10 0.03 0.06 0.03 -0.09 0.06 -0.08 0.21 0.05 -0.23 -0.07 -0.09 -0.06 -0.07 -0.10 -0.10 -0.37 0.04 0.01 0.01 0.04 -0.02 -0.02 -0.03 -0.01 -0.00 -0.11 0.06 -0.02 0.00 0.00 -0.01 0.00 -0.02 -0.03 0.00 -0.03 -0.03 0.00 -0.01 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.04 -0.07 -0.00 0.00 0.01 -0.00 -0.00 0.01 -0.00 -0.09 -0.03 -0.03 0.00 -0.00 -0.00 0.08 0.02 0.01 -0.02 -0.01 -0.00 -0.00 -0.02 0.00 -0.02 -0.00 -0.00 -0.03 -0.01 -0.01 0.03 -0.00 -0.00 0.01 -0.00 -0.01 -0.01 -0.01 -0.00 0.01 0.02 0.00 -0.09 -0.11 -0.03 0.00 0.01 -0.01 -0.02 -0.00 -0.02 -0.01 -0.09 0.04 -0.03 0.11 -0.10 0.10 0.05 0.08 0.06 0.20 -0.04 0.20 -0.02 0.12 0.04 -0.00 0.02 0.04 -0.00 0.05 -0.07 0.01 0.02 -0.03 0.00 -0.07 0.01 -0.00 -0.00 -0.12 0.14 0.01 -0.12 0.14 -0.00 -0.02 0.01 -0.03 -0.02 -0.02 -0.03 -0.06 -0.01 -0.05 0.03 -0.02 0.03 -0.08 -0.01 0.08 0.02 0.03 0.03 -0.01 0.06 0.05 0.25 0.29 0.20 -0.03 -0.05 -0.01 -0.01 -0.10 0.05 -0.00 -0.42 0.24 -0.17 0.02 0.02 -0.07 0.00 -0.20 -0.20 0.02 -0.23 -0.26 0.02 -0.09 -0.01 0.00 0.01 0.00 -0.00 -0.00 0.00 0.00 0.00 0.01 0.01 0.00 -0.04 -0.04 0.01 -0.02 0.00 0.00 0.02 0.00 0.01 -0.00 -0.00 -0.00 0.20 0.06 0.01 -0.02 -0.04 -0.00 -0.09 -0.04 0.00 -0.06 -0.02 0.00 -0.07 -0.02 -0.00 0.05 -0.00 0.00 0.19 0.05 0.00 -0.02 -0.01 -0.01 0.01 0.00 -0.01 0.01 0.01 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.01 -0.01 0.00 -0.01 0.01 -0.01 -0.00 -0.01 -0.01 -0.03 0.00 -0.04 0.00 -0.03 -0.01 0.00 -0.00 -0.01 0.00 -0.01 0.01 -0.00 -0.00 0.00 -0.00 0.01 -0.00 0.00 0.00 -0.23 0.34 -0.09 -0.45 0.41 -0.12 -0.05 0.06 -0.10 -0.02 -0.05 -0.06 -0.19 -0.00 -0.15 0.04 -0.04 0.07 -0.16 0.00 0.16 0.04 0.08 0.08 -0.08 0.18 0.14 -0.32 -0.01 -0.02 0.01 0.04 -0.01 0.00 0.02 -0.01 0.00 0.05 -0.03 0.04 -0.00 -0.00 0.02 -0.00 0.04 0.04 -0.00 0.04 0.05 -0.01 0.02 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.02 0.03 0.01 -0.00 -0.02 0.01 0.00 0.01 -0.00 -0.09 0.07 -0.09 0.00 0.00 -0.00 0.01 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.02 -0.00 -0.00 -0.00 0.00 0.00 0.02 0.06 0.02 0.06 0.01 0.06 -0.01 -0.02 0.01 0.02 0.01 0.01 0.01 0.04 -0.02 -0.03 -0.13 0.04 -0.03 -0.01 -0.02 -0.04 -0.07 -0.01 0.15 -0.02 0.08 0.03 -0.00 0.01 0.03 -0.00 0.04 -0.04 0.01 0.02 -0.01 0.00 -0.05 -0.00 -0.00 -0.01 -0.01 0.02 -0.00 0.03 -0.03 0.03 0.00 0.00 -0.00 0.00 -0.00 -0.01 -0.00 -0.00 -0.00 -0.03 -0.01 0.00 -0.01 0.00 0.02 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.29 -0.35 -0.28 0.16 0.63 -0.15 -0.12 -0.05 -0.12 -0.04 -0.02 -0.03 -0.16 0.01 0.01 -0.05 -0.00 -0.14 -0.15 0.01 -0.17 -0.17 0.01 -0.06 -0.02 0.00 0.01 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.01 -0.02 0.01 0.01 -0.01 0.00 0.01 0.01 -0.00 0.08 -0.02 0.07 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 -0.04 -0.01 -0.01 -0.00 -0.00 -0.00 0.03 0.09 0.03 0.02 -0.10 0.07 -0.00 -0.02 0.01 0.02 0.05 -0.01 -0.03 -0.04 -0.00 -0.09 -0.02 -0.08 0.06 0.08 0.02 0.00 0.07 -0.04 -0.09 -0.00 -0.10 -0.04 0.00 -0.00 -0.02 0.00 -0.02 0.04 -0.00 0.00 -0.01 0.00 0.04 0.01 -0.00 -0.01 -0.01 0.01 0.01 0.05 -0.04 0.04 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.01 -0.00 0.00 -0.02 -0.01 0.00 -0.01 0.00 0.02 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.09 -0.22 -0.19 0.13 0.57 -0.15 -0.17 -0.17 -0.12 -0.07 -0.47 0.19 0.06 -0.01 -0.00 0.06 -0.00 0.18 0.07 -0.01 0.06 0.21 -0.02 0.06 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 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.07 0.00 0.22 -0.01 -0.04 -0.06 0.07 0.01 -0.01 0.02 0.01 -0.07 0.01 -0.01 -0.06 -0.01 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 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.19 -0.40 -0.05 -0.34 0.49 -0.31 -0.15 -0.13 0.09 -0.22 0.05 0.10 0.13 0.05 0.10 0.24 0.01 -0.03 -0.01 0.01 -0.02 0.19 0.09 0.01 -0.08 0.07 0.10 -0.02 -0.01 -0.01 0.01 0.03 -0.01 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 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 -0.07 -0.02 -0.01 0.06 0.01 0.00 -0.01 0.00 0.00 0.01 -0.01 -0.01 0.02 0.01 0.00 0.05 -0.00 -0.01 -0.00 0.00 0.01 -0.05 -0.06 -0.05 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.09 0.20 0.19 0.04 -0.11 -0.07 0.08 -0.00 0.01 0.05 0.04 0.04 0.07 0.04 0.09 -0.02 0.02 -0.03 0.05 -0.00 -0.05 0.01 -0.04 -0.05 -0.40 0.60 0.57 0.01 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 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 0.02 0.02 -0.01 -0.00 -0.00 0.01 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 0.00 -0.03 -0.08 -0.03 -0.00 0.07 -0.03 0.00 0.02 -0.01 0.00 -0.06 0.04 0.08 0.03 0.07 0.02 -0.06 0.05 -0.00 -0.03 0.01 -0.07 0.07 -0.12 -0.11 0.01 0.12 0.05 -0.01 -0.02 -0.01 0.00 -0.06 -0.02 0.00 -0.10 0.10 -0.01 -0.00 -0.04 0.00 0.05 0.00 -0.01 0.00 -0.03 0.03 -0.02 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.02 -0.00 -0.01 -0.00 0.01 0.00 0.00 -0.00 -0.00 0.01 -0.01 -0.01 0.09 0.27 0.22 0.10 0.41 -0.08 -0.26 -0.21 -0.16 -0.07 -0.33 0.10 0.26 -0.03 -0.01 -0.07 -0.01 -0.19 0.17 -0.01 0.28 -0.28 0.03 -0.03 -0.01 0.00 0.01 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.02 -0.00 0.00 0.01 -0.00 0.01 -0.02 0.00 0.00 0.00 -0.01 0.01 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.02 -0.00 -0.00 -0.00 -0.00 -0.00 0.04 0.11 0.05 -0.00 -0.09 0.03 -0.00 -0.02 0.01 -0.01 0.05 -0.04 -0.06 -0.03 -0.06 -0.02 0.06 -0.05 0.01 0.03 0.00 0.04 -0.04 0.07 -0.09 0.01 0.16 0.06 -0.01 -0.02 0.00 0.00 -0.04 -0.04 0.00 -0.10 0.11 -0.01 -0.02 -0.03 0.00 0.05 0.00 -0.00 -0.01 0.03 -0.03 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 0.01 0.01 -0.00 0.00 0.00 -0.11 -0.39 -0.32 -0.06 -0.20 0.02 0.17 0.13 0.10 0.05 0.19 -0.05 0.29 -0.03 -0.01 -0.13 -0.00 -0.32 0.17 -0.01 0.30 -0.39 0.04 -0.06 -0.03 0.00 0.04 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.01 -0.00 -0.01 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.01 -0.01 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 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 -0.16 0.02 -0.04 0.09 -0.01 0.14 0.05 -0.00 0.06 -0.07 0.01 -0.02 0.08 -0.01 -0.13 -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 0.01 -0.04 0.07 0.05 0.00 0.01 -0.00 -0.02 -0.01 -0.01 -0.01 -0.01 0.00 0.57 -0.07 -0.01 -0.21 0.02 -0.48 0.15 -0.01 0.23 -0.26 0.03 -0.03 -0.20 0.03 0.32 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.02 0.01 -0.03 -0.01 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.01 -0.00 -0.00 -0.01 0.00 0.00 0.00 -0.02 -0.01 0.00 0.00 -0.00 0.01 -0.00 -0.00 0.01 -0.00 -0.00 0.00 0.07 0.01 0.01 0.00 0.00 0.00 -0.08 0.05 0.06 -0.01 0.02 -0.04 0.01 -0.03 0.02 -0.01 -0.03 0.01 0.03 0.02 0.03 0.03 0.01 0.02 -0.01 -0.03 0.01 -0.02 0.02 -0.03 0.00 0.00 -0.01 -0.01 0.00 -0.00 0.00 -0.00 0.01 0.01 -0.00 0.01 -0.01 0.00 0.00 0.01 -0.00 -0.01 -0.01 0.02 0.02 -0.09 0.07 -0.06 0.00 0.01 -0.01 0.01 -0.01 -0.00 -0.01 0.00 -0.01 -0.00 0.01 -0.01 0.01 0.01 -0.02 0.02 -0.01 -0.01 0.01 -0.01 -0.01 0.77 -0.49 -0.33 0.00 0.00 -0.00 -0.04 -0.04 -0.04 0.00 -0.01 0.00 0.02 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.02 -0.00 0.00 -0.01 0.00 0.01 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.01 0.01 0.00 -0.02 0.01 -0.01 -0.01 0.01 -0.00 -0.00 0.03 -0.02 -0.00 -0.00 0.00 -0.06 -0.02 -0.06 0.01 0.01 0.00 0.03 -0.05 0.03 0.01 0.00 0.01 0.01 0.00 0.02 0.00 0.00 -0.00 0.06 0.00 0.00 0.01 0.02 0.01 -0.09 -0.09 -0.04 0.10 0.02 0.11 0.01 0.01 -0.00 0.05 0.13 -0.01 -0.07 -0.06 -0.05 -0.12 -0.14 -0.05 0.01 0.12 -0.06 0.05 -0.07 0.10 -0.00 -0.01 0.02 0.01 -0.00 0.00 -0.00 0.00 -0.00 -0.01 0.00 -0.01 0.02 -0.00 -0.00 -0.01 0.00 0.01 -0.14 0.17 0.21 -0.26 0.25 -0.20 0.06 0.00 0.03 0.05 0.02 0.01 0.03 -0.00 0.03 -0.04 0.06 -0.08 0.05 0.02 -0.06 0.01 -0.08 -0.07 0.07 -0.10 -0.08 0.58 0.30 0.25 0.03 -0.03 0.04 0.05 0.04 0.04 -0.05 -0.13 0.02 0.01 -0.00 0.00 -0.02 -0.00 -0.04 0.01 -0.00 0.03 -0.07 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 0.01 -0.01 0.01 -0.00 0.04 -0.01 0.00 -0.01 0.01 0.00 0.00 0.00 -0.10 -0.04 -0.08 0.01 0.01 0.00 0.08 -0.09 0.06 0.01 0.01 0.01 0.02 0.01 0.03 0.01 0.00 -0.01 -0.02 -0.01 -0.01 0.01 0.03 0.03 0.04 0.03 0.01 -0.03 -0.01 -0.03 -0.00 -0.00 -0.00 -0.02 -0.04 0.00 0.02 0.02 0.01 0.04 0.05 0.01 -0.00 -0.04 0.02 -0.01 0.02 -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 -0.01 0.00 0.00 0.00 -0.00 -0.00 -0.26 0.32 0.39 -0.34 0.36 -0.28 0.13 -0.02 0.07 0.10 0.06 0.04 0.08 -0.01 0.09 -0.07 0.09 -0.13 0.07 0.01 -0.07 -0.01 -0.13 -0.13 0.13 -0.17 -0.15 -0.29 -0.07 -0.07 -0.01 0.01 -0.02 -0.01 -0.00 -0.01 0.02 0.05 -0.01 -0.01 0.00 -0.00 0.01 0.00 0.01 -0.00 -0.00 -0.01 0.02 -0.00 0.00 0.01 -0.00 -0.01 -0.00 -0.00 -0.00 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 0.06 0.02 0.01 -0.01 -0.01 -0.00 -0.02 0.02 -0.01 -0.09 -0.02 -0.06 -0.09 -0.01 0.06 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.07 0.06 -0.07 0.08 0.34 -0.11 0.17 0.29 0.24 0.17 0.17 0.01 0.27 0.31 0.22 -0.20 0.16 0.01 -0.34 0.38 -0.09 -0.18 0.02 -0.03 -0.03 0.00 0.00 0.00 0.00 0.01 -0.00 -0.00 -0.00 -0.00 -0.00 -0.01 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.01 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.02 0.01 -0.02 -0.01 -0.01 0.01 -0.00 -0.07 -0.01 -0.06 0.07 0.01 -0.07 -0.01 -0.00 -0.00 0.02 0.01 0.00 0.00 0.01 0.01 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.03 0.05 0.01 -0.00 -0.01 -0.02 0.34 -0.16 0.23 0.26 0.28 0.24 0.18 0.02 0.27 -0.23 -0.24 0.25 -0.15 -0.01 0.29 -0.31 0.16 0.23 0.03 -0.05 -0.04 0.03 -0.01 -0.00 -0.00 -0.01 0.01 0.01 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.01 -0.01 -0.01 -0.00 -0.00 -0.00 0.01 -0.00 -0.01 -0.04 0.01 0.00 -0.00 -0.00 0.00 0.00 -0.01 -0.01 0.01 0.01 0.00 -0.01 0.00 -0.01 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.01 -0.00 0.00 -0.00 -0.01 -0.01 -0.03 0.01 -0.05 0.06 -0.16 0.18 0.00 0.00 -0.00 -0.10 -0.05 -0.09 0.08 0.15 0.00 0.07 0.20 -0.03 -0.08 -0.05 -0.07 0.04 -0.09 0.10 -0.00 0.00 0.01 0.01 -0.00 -0.01 0.01 -0.00 0.01 0.00 -0.00 0.01 -0.01 0.00 -0.01 -0.00 0.00 0.01 0.04 -0.05 -0.04 -0.02 0.02 -0.01 0.02 0.01 -0.01 0.03 -0.00 -0.02 0.02 -0.01 0.03 -0.03 -0.01 -0.00 -0.01 0.02 0.01 0.00 0.00 0.01 -0.01 0.01 0.01 0.30 0.31 0.18 -0.04 0.27 -0.19 -0.46 -0.23 -0.40 -0.06 0.10 -0.13 -0.03 0.01 -0.01 -0.01 0.00 -0.04 -0.03 0.00 -0.05 0.01 -0.00 -0.01 0.02 -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 -0.02 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.03 0.00 0.08 0.08 -0.11 -0.09 -0.06 0.07 -0.04 0.05 -0.01 -0.02 -0.01 0.00 -0.01 -0.01 -0.01 -0.02 0.01 0.01 0.01 0.00 0.06 0.06 -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 0.01 -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 -0.37 0.49 0.35 0.17 -0.22 0.04 -0.12 -0.14 0.13 -0.29 0.07 0.23 -0.16 0.11 -0.23 0.09 -0.02 0.06 0.05 0.01 -0.11 0.11 0.07 0.03 0.06 -0.12 -0.11 0.02 0.02 0.01 -0.00 0.01 -0.01 -0.03 -0.01 -0.02 -0.00 0.00 -0.01 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.01 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.02 0.00 -0.01 -0.02 0.01 0.01 0.01 -0.01 0.00 0.01 -0.03 -0.02 0.01 0.03 0.01 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.01 -0.01 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.05 -0.07 -0.07 -0.00 0.02 0.02 0.28 -0.04 0.07 -0.36 0.08 0.28 -0.18 0.42 -0.11 0.14 0.14 -0.14 -0.01 -0.39 0.21 -0.31 -0.26 -0.23 -0.00 0.01 0.01 0.01 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.02 -0.00 -0.01 0.00 -0.00 -0.00 0.01 -0.00 0.00 -0.01 -0.02 0.02 -0.03 0.02 -0.02 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.01 0.01 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.01 0.00 0.01 -0.00 0.00 -0.01 0.01 -0.00 0.00 0.01 -0.00 0.01 -0.01 0.00 -0.01 -0.01 0.00 0.01 -0.04 0.04 0.06 -0.02 0.01 -0.03 0.18 0.24 -0.27 -0.03 -0.15 -0.18 0.07 0.25 0.20 0.40 -0.16 0.37 0.21 -0.30 -0.26 -0.13 0.21 0.25 0.02 -0.03 -0.03 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.01 -0.01 -0.00 -0.00 -0.01 0.00 0.02 -0.00 -0.01 0.00 -0.00 -0.02 -0.01 0.00 -0.04 0.04 -0.00 -0.01 0.04 -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 -0.01 -0.00 0.01 -0.00 0.00 0.00 -0.01 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.01 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.01 -0.00 0.01 0.01 0.00 0.00 0.01 -0.01 -0.01 -0.02 0.00 0.01 0.00 0.01 0.08 -0.01 -0.12 0.04 -0.00 0.09 -0.11 0.01 -0.02 -0.12 0.01 -0.06 0.11 -0.01 0.09 0.08 -0.01 -0.13 -0.01 0.01 0.01 -0.00 0.00 -0.01 0.04 0.05 -0.05 -0.01 -0.03 -0.03 0.01 0.06 0.04 0.08 -0.03 0.07 0.04 -0.06 -0.06 -0.02 0.04 0.05 0.01 -0.01 -0.01 0.01 0.01 0.00 0.00 0.03 -0.01 -0.01 0.00 -0.01 0.00 0.03 -0.01 -0.19 0.02 0.10 -0.01 0.01 0.23 0.09 -0.00 0.39 -0.38 0.04 0.08 -0.36 0.05 0.55 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 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 0.01 0.01 -0.01 0.01 0.01 -0.03 0.00 0.00 -0.03 0.00 -0.00 0.00 0.00 -0.01 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -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 -0.03 -0.01 0.02 -0.00 0.33 0.11 -0.09 -0.31 -0.04 0.10 -0.10 0.46 0.02 -0.31 -0.09 0.01 -0.07 0.49 -0.11 0.35 0.17 0.13 0.00 -0.00 -0.01 -0.01 -0.00 0.00 0.00 -0.00 0.00 0.01 0.01 0.01 0.00 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 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.09 -0.02 0.04 0.04 0.02 -0.03 0.02 0.04 0.02 -0.01 -0.03 -0.01 0.00 0.01 0.01 0.01 -0.00 -0.00 -0.00 -0.00 -0.02 -0.02 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.08 -0.10 -0.06 -0.05 0.06 -0.00 -0.11 -0.30 0.38 -0.09 0.21 0.33 -0.21 -0.16 -0.35 0.17 -0.14 0.28 0.15 -0.02 -0.28 0.03 0.22 0.25 -0.03 0.06 0.05 -0.01 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.01 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.04 -0.01 0.03 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.01 0.01 -0.02 0.00 0.00 0.00 0.00 -0.01 0.01 0.00 -0.01 0.01 0.00 -0.00 0.01 0.00 0.01 -0.01 -0.00 -0.00 -0.00 -0.14 0.02 -0.10 0.12 -0.01 -0.05 -0.00 0.00 0.12 0.04 -0.00 0.16 0.15 -0.02 -0.02 -0.08 0.01 -0.07 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.01 -0.01 -0.01 0.00 0.01 0.01 -0.00 -0.01 0.00 -0.01 -0.03 0.01 -0.43 0.05 -0.09 -0.24 0.03 -0.32 -0.27 0.02 -0.43 -0.48 0.05 -0.07 -0.12 0.01 -0.05 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.02 0.03 0.01 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.03 0.01 -0.03 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.03 0.04 0.01 -0.09 -0.11 -0.05 -0.00 -0.00 -0.00 0.01 0.12 -0.06 0.07 -0.02 0.09 0.12 -0.02 0.14 0.03 0.20 -0.08 -0.12 -0.16 -0.05 0.01 0.01 0.00 0.00 0.00 0.00 -0.01 0.00 -0.01 -0.01 0.00 0.01 -0.00 -0.00 0.01 0.01 -0.00 -0.02 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.01 0.00 -0.04 0.00 -0.02 -0.02 0.04 0.02 0.01 -0.01 -0.01 -0.00 0.00 0.00 -0.04 -0.02 -0.03 -0.15 -0.55 0.12 -0.27 -0.28 -0.14 -0.14 -0.51 0.13 -0.01 0.00 0.00 0.02 0.00 0.04 -0.00 0.00 0.02 -0.00 0.00 0.01 -0.03 0.00 0.04 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.01 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 0.01 -0.00 0.00 -0.00 -0.00 -0.00 -0.01 0.01 -0.01 0.09 -0.06 0.00 0.00 0.00 -0.02 -0.13 0.05 -0.01 -0.05 0.02 0.01 0.06 -0.02 0.01 0.12 -0.05 0.02 -0.08 0.07 -0.19 0.02 -0.02 0.32 -0.03 0.05 0.18 -0.02 0.14 -0.19 0.02 -0.14 -0.30 0.03 -0.04 0.17 -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 0.01 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.03 -0.05 -0.02 0.06 0.21 -0.04 0.03 -0.03 0.05 -0.04 -0.13 0.02 -0.41 0.05 0.02 -0.01 -0.00 -0.27 0.01 0.00 0.28 0.35 -0.04 -0.01 0.05 0.00 0.20 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.01 -0.00 0.00 -0.00 -0.01 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.01 -0.01 0.00 -0.00 0.00 0.00 -0.01 -0.01 -0.01 0.08 -0.01 0.10 -0.00 -0.00 -0.00 -0.03 0.01 -0.04 -0.09 -0.03 -0.08 0.06 0.02 0.06 0.03 -0.02 0.05 -0.06 0.04 -0.09 -0.13 0.02 0.31 0.10 -0.01 -0.14 -0.01 -0.00 -0.28 0.01 0.00 0.26 -0.11 0.01 0.14 0.15 -0.02 -0.30 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.05 0.05 0.03 -0.03 0.01 -0.04 0.11 0.11 0.06 0.06 0.04 0.04 -0.10 0.01 -0.17 0.26 -0.03 0.23 -0.24 0.02 -0.20 0.13 -0.01 0.18 -0.24 0.03 0.31 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 0.03 0.02 0.01 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.02 0.02 0.01 -0.15 -0.16 -0.09 0.00 0.00 -0.00 0.13 0.28 -0.01 0.23 0.20 0.15 -0.20 -0.22 -0.11 -0.12 -0.23 -0.00 0.11 0.12 0.06 -0.09 0.00 0.05 0.10 -0.01 -0.02 0.05 -0.00 -0.01 -0.04 0.00 0.02 -0.09 0.01 0.02 0.07 -0.01 -0.06 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -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 -0.06 -0.02 -0.02 -0.02 -0.40 0.19 -0.29 -0.18 -0.23 -0.02 0.23 -0.15 -0.12 0.01 -0.03 0.04 -0.01 -0.04 -0.04 0.00 0.03 0.11 -0.01 0.03 -0.03 0.00 0.10 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.01 0.00 -0.01 0.01 0.00 0.00 0.00 -0.03 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 0.01 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.02 0.04 -0.01 -0.00 0.00 0.00 0.02 -0.00 0.03 -0.14 0.15 -0.25 0.00 0.00 0.00 0.02 -0.21 0.15 0.12 -0.01 0.15 -0.13 0.10 -0.20 -0.04 0.18 -0.15 0.16 -0.17 0.29 0.05 -0.01 0.14 -0.09 0.01 -0.07 -0.07 0.01 -0.16 0.07 -0.00 0.13 0.06 -0.01 0.06 -0.01 -0.00 -0.09 0.00 -0.00 -0.00 -0.01 0.01 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.01 -0.00 0.00 0.01 -0.01 -0.01 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.12 -0.14 -0.08 0.16 0.34 -0.00 -0.13 -0.21 -0.02 -0.15 -0.20 -0.06 0.15 -0.02 -0.06 0.10 -0.02 0.19 -0.07 0.00 -0.15 -0.06 0.01 0.06 -0.09 0.01 0.03 0.01 0.01 0.01 -0.01 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.01 0.03 -0.01 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.01 0.02 0.07 -0.08 -0.08 -0.01 0.01 -0.02 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.12 0.41 0.36 0.01 -0.05 0.01 0.03 -0.36 -0.32 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.17 0.23 0.19 0.03 -0.03 0.02 0.01 0.01 -0.01 -0.01 -0.01 -0.01 -0.00 0.00 0.01 -0.00 0.00 0.00 0.00 0.00 -0.00 0.01 -0.00 -0.01 0.43 -0.26 -0.23 -0.01 -0.00 0.00 0.00 0.01 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.01 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 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 0.07 -0.48 0.08 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.04 0.01 0.00 -0.01 0.02 0.08 -0.07 0.02 0.00 0.01 -0.00 0.00 0.01 -0.00 -0.01 0.05 0.04 -0.20 0.74 -0.15 0.00 -0.04 -0.04 -0.02 0.03 0.00 0.02 -0.03 0.03 0.01 -0.00 0.00 -0.00 0.02 -0.02 -0.01 0.01 -0.01 0.01 -0.01 0.02 0.00 -0.01 0.01 -0.01 0.01 -0.02 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.01 0.03 0.02 -0.15 0.26 -0.09 0.01 0.01 -0.00 -0.07 -0.04 -0.03 0.01 0.01 0.00 -0.01 0.01 -0.01 -0.01 -0.02 0.02 0.03 -0.02 -0.04 0.05 -0.02 -0.01 0.10 0.01 -0.03 -0.02 -0.04 -0.00 0.00 0.01 -0.01 0.01 0.02 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.01 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.21 -0.30 -0.47 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -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 -0.08 -0.01 -0.01 -0.00 -0.28 0.41 0.63 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.05 -0.03 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.03 0.00 0.04 0.01 -0.00 -0.01 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.08 -0.45 -0.34 -0.15 0.53 -0.36 -0.30 -0.08 0.25 -0.03 0.16 0.10 -0.07 -0.02 -0.05 0.03 -0.13 0.10 0.01 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 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 -0.05 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 -0.02 0.12 0.10 0.04 -0.15 0.10 0.09 0.02 -0.07 -0.11 0.59 0.37 -0.24 -0.06 -0.15 0.11 -0.44 0.36 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.01 0.00 -0.01 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.02 -0.08 -0.00 -0.01 0.03 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.09 0.53 0.43 -0.14 0.49 -0.35 0.04 -0.01 -0.03 0.03 -0.19 -0.13 -0.02 0.00 -0.01 0.06 -0.21 0.18 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.01 -0.03 -0.00 0.02 -0.08 0.01 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.03 0.21 0.17 -0.06 0.19 -0.14 0.01 -0.00 -0.00 -0.09 0.49 0.32 0.04 -0.01 0.02 -0.14 0.53 -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 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.05 -0.07 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.59 0.81 -0.00 -0.00 -0.00 0.00 0.01 -0.01 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.06 -0.01 0.07 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.02 -0.02 0.01 0.03 -0.24 -0.17 -0.07 0.23 -0.14 0.69 0.18 -0.55 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.01 -0.01 -0.03 -0.01 -0.01 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.07 -0.02 -0.06 -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 -0.01 -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 -0.04 -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 -0.04 0.16 0.09 0.79 0.21 0.48 0.03 -0.17 0.13 0.00 0.00 0.00 -0.00 -0.00 0.00 0.07 0.00 0.08 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.01 -0.01 0.00 0.01 -0.03 0.00 0.02 0.00 -0.00 -0.05 0.05 -0.00 0.03 0.02 0.01 0.00 -0.01 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 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 0.11 0.17 -0.02 -0.09 0.38 -0.04 -0.19 -0.03 0.02 0.58 -0.54 0.05 -0.35 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.03 0.02 0.01 -0.06 -0.04 0.02 -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 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.39 -0.23 -0.09 0.69 0.46 -0.22 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.02 0.01 -0.02 -0.00 -0.00 -0.00 -0.02 -0.00 -0.01 0.00 0.00 0.00 0.17 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 -0.01 0.02 -0.00 -0.01 -0.03 0.00 0.01 -0.00 0.00 0.04 -0.01 0.00 -0.01 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.04 0.02 0.01 0.03 0.02 -0.01 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.05 -0.02 -0.02 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.01 -0.01 0.00 0.01 0.02 -0.00 -0.01 0.00 -0.00 -0.02 -0.00 0.00 -0.00 -0.41 -0.25 -0.09 -0.34 -0.23 0.11 -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 -0.00 -0.01 -0.00 0.00 -0.00 0.55 0.24 0.19 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 0.12 -0.02 -0.06 -0.25 0.03 0.13 -0.01 0.01 0.26 0.04 -0.00 0.03 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.02 -0.01 -0.00 -0.01 -0.01 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.02 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 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.02 -0.02 0.00 0.01 0.05 -0.01 -0.02 0.00 -0.00 -0.05 -0.01 0.00 -0.00 0.19 0.12 0.04 0.11 0.08 -0.04 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.01 0.00 0.00 0.00 -0.00 0.00 -0.29 -0.12 -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 0.01 -0.00 -0.21 0.25 -0.03 -0.13 -0.54 0.06 0.28 -0.03 0.02 0.54 0.13 -0.01 0.08 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.05 -0.03 -0.01 -0.01 -0.01 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.05 -0.02 -0.02 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.01 -0.01 0.00 0.01 -0.01 0.00 0.00 0.00 -0.00 -0.01 -0.01 0.00 -0.01 0.57 0.34 0.12 0.17 0.12 -0.05 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.02 0.00 -0.02 -0.00 0.00 0.00 0.02 0.01 0.01 0.00 -0.01 0.00 0.57 0.24 0.19 -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 0.08 0.12 -0.02 -0.06 0.08 -0.01 -0.04 -0.00 0.00 0.06 0.15 -0.01 0.10 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.01 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 -0.00 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 0.02 -0.03 0.00 0.02 0.00 -0.00 -0.01 -0.05 0.00 -0.03 -0.16 -0.10 -0.03 -0.04 -0.03 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 -0.14 -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 -0.02 0.01 0.39 0.42 -0.06 -0.21 0.35 -0.04 -0.18 -0.01 0.01 0.17 0.51 -0.04 0.33 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 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 0.00 -0.00 0.00 -0.03 -0.00 -0.04 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.01 -0.01 0.01 -0.00 0.01 -0.10 0.65 -0.52 0.35 0.04 0.40 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 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 0.03 -0.01 0.00 0.00 -0.00 0.00 0.04 0.01 -0.00 0.01 -0.01 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.02 -0.01 -0.52 0.64 -0.09 -0.31 0.09 -0.01 -0.04 0.02 -0.01 -0.41 -0.15 0.01 -0.09 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 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 0.00 0.01 0.04 -0.00 -0.02 -0.00 0.00 0.03 0.03 -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 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.03 0.01 0.71 0.29 -0.04 -0.14 -0.38 0.04 0.20 0.02 -0.01 -0.29 -0.28 0.02 -0.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.04 -0.03 0.00 0.00 0.00 -0.05 -0.01 -0.06 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -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 0.06 -0.42 0.33 0.55 0.06 0.63 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 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 -0.06 -0.01 -0.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 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 -0.01 -0.00 -0.09 -0.03 -0.06 -0.00 0.01 -0.01 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.65 0.06 0.75 -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 17 17 9 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 1 298.150 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 9 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 34.96885 34.96885 18.99840 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 433.06478 0.99954 0.01624 0.02575 -0.01548 0.99944 -0.0297 -0.02621 0.02929 0.99923 asymmetric 1 0.00812 0.00547 0.00468 0.16922 0.11393 0.09749 918528.2 20.90 28.93 38.14 47.77 69.39 77.30 79.14 86.27 97.02 113.34 137.12 161.66 191.56 205.37 225.53 257.14 287.17 303.11 319.84 326.65 343.94 353.23 367.03 397.02 427.58 451.02 491.70 504.83 544.04 576.28 582.12 609.33 624.42 642.04 672.61 674.91 702.19 707.46 714.39 767.08 818.66 834.82 872.50 880.73 904.07 926.54 939.10 953.56 1015.28 1040.28 1051.48 1088.38 1102.86 1148.50 1177.16 1179.98 1200.40 1217.75 1233.01 1250.66 1280.64 1295.26 1316.25 1342.55 1355.95 1379.41 1392.14 1409.39 1425.99 1427.11 1443.45 1454.11 1458.33 1464.07 1490.01 1500.76 1547.34 1572.81 1590.26 1619.77 1623.81 1653.38 1661.41 1691.65 1706.25 1749.03 1788.00 1802.47 1810.81 1850.94 1857.14 1882.16 1890.82 1899.43 1903.54 1929.01 1936.85 1967.05 1976.04 2030.42 2040.86 2083.42 2088.87 2119.29 2125.37 2127.10 2143.94 2151.46 2187.78 2208.75 2339.92 2345.86 2359.55 2370.82 2402.88 2432.17 3328.28 4355.30 4365.40 4438.78 4443.76 4461.09 4479.00 4534.32 4567.69 4576.07 4580.30 4581.04 4592.88 4593.50 4596.47 4604.09 4608.88 4615.48 4658.70 0.349849 0.377214 0.378158 0.288578 -2149.874560 -2149.847195 -2149.846251 -2149.935831 236.705 102.261 188.537 0.000 0.000 0.000 0.889 2.981 44.087 0.889 2.981 36.390 234.928 96.299 108.060 1 0.593 1.986 7.269 2 0.593 1.986 6.624 3 0.593 1.984 6.075 4 0.594 1.983 5.628 5 0.595 1.978 4.889 6 0.596 1.976 4.675 7 0.596 1.976 4.629 8 0.597 1.973 4.458 9 0.598 1.970 4.227 10 0.600 1.963 3.921 11 0.603 1.953 3.548 12 0.607 1.939 3.228 13 0.613 1.920 2.900 14 0.616 1.910 2.767 15 0.620 1.895 2.589 16 0.629 1.868 2.342 17 0.638 1.840 2.137 18 0.643 1.825 2.038 19 0.648 1.807 1.940 20 0.651 1.800 1.902 21 0.657 1.781 1.810 22 0.660 1.770 1.763 23 0.665 1.754 1.695 24 0.678 1.718 1.559 25 0.691 1.679 1.433 26 0.701 1.648 1.344 27 0.721 1.592 1.204 28 0.728 1.573 1.162 29 0.748 1.517 1.047 30 0.766 1.469 0.961 31 0.770 1.460 0.946 32 0.786 1.419 0.880 33 0.795 1.396 0.846 34 0.805 1.369 0.807 35 0.825 1.322 0.745 36 0.826 1.319 0.740 37 0.844 1.277 0.689 38 0.847 1.268 0.679 39 0.852 1.258 0.667 40 0.888 1.177 0.580 41 0.925 1.098 0.506 42 0.937 1.074 0.485 43 0.965 1.018 0.439 44 0.971 1.006 0.429 0.152235e+29 28.182516 64.892641 0.214677e+13 12.331785 28.394985 0.100000e+01 0.000000 0.000000 0.354228e+09 8.549283 19.685452 0.200192e+08 7.301447 16.812203 ./ancestor::cml:module[@dictRef='cc:finalization']/cml:molecule[@id='mol9999'] 3.9501 -1.2811 0.4564 4.1777 -184.3471 -225.8977 -171.2279 1.7881 22.7333 -16.6542 9.4771 -32.0735 22.5963 1.7881 22.7333 -16.6542 68.6856 -142.7156 2.6990 64.3365 54.2069 -18.5020 -30.1023 -15.4923 -44.9868 49.9412 -8280.7983 -5864.4269 -2912.1904 56.0997 242.5408 104.4359 -68.4834 129.6517 -112.8404 -2400.4686 -1786.9720 -1353.5200 -178.5514 163.2846 46.3137 (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A) (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(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 -2150.2244094 6.208E-9 3.012E-6 0.3498489 0.377214 -2149.8471954 -2149.8462512 -2149.9358311 17.2588694,-18.7746018,1.5157324,-5.4321896,20.1223103,11.4130193 C01 [X(C22H18Cl2F1N1O3)] -1.6026479 0.0032758 0.3647005 -0.5884983 0.5060378 -0.1369425 0.3741916 -0.4700952 0.2310029 -0.0117137 0.1431865 -0.1586718 -0.7418506 -0.0565922 0.5827652 0.0646483 -0.1329823 0.0873714 0.4631532 0.1842207 -0.5276835 -0.4259678 0.4572808 -0.1334573 0.5202802 -1.7269957 0.2370552 -0.1325564 0.2186974 -0.2402376 -1.7507451 0.8036539 0.1834411 0.8469589 -1.5394793 -0.0387514 0.0853715 0.0264629 -0.4630517 -1.2614057 -0.755485 0.0923437 -0.3147914 -1.9900624 -0.039217 0.0290215 0.0298441 -0.4830674 -2.0668413 -0.6831344 -0.7536961 -0.6276506 -1.1509507 -0.4210576 -0.9161798 -0.5641147 -0.7993615 -0.4035598 -0.0788891 0.0390411 -0.0164646 -0.4463312 0.0337795 0.0620555 0.1600542 -0.5327845 0.4501019 0.0924224 0.0735418 0.5671203 0.7144748 -0.1724258 0.0713281 -0.0219447 0.3452888 0.0514382 0.062331 0.0573954 0.0298524 -0.117372 0.3493385 0.4028372 0.413621 -0.2061615 -1.0823834 -0.6546851 0.0993752 -0.4111965 -0.3003806 -0.1923891 -0.4205224 -0.3366555 -0.0126042 -0.0075003 0.0407833 0.0592642 -0.0552094 0.0367229 -0.0351806 -0.0008272 -0.0235959 0.0240029 -0.0567218 0.0342012 -0.0613561 0.0013327 -0.0067344 0.0587343 -0.0073171 -0.0242687 0.0485605 -0.0889315 0.3262102 -0.3567665 0.0485334 -0.2289185 -0.0361016 -0.1442439 -0.1261757 0.036461 2.6939737 0.6068778 -0.1438008 -0.3760557 2.8641298 0.1806802 -0.0662072 -0.0382766 0.3003097 1.3681724 -0.6536539 -0.4327419 -0.6075059 0.5560676 -0.3702618 -0.4325261 -0.3956905 0.5930397 1.2773071 -0.3951718 -0.2778408 -0.1671927 0.7862791 -0.1057525 -0.1766855 -0.0701425 0.6879159 0.0792994 -0.0940525 0.2336219 0.0923954 0.045208 0.0471482 0.2065911 -0.0001171 -0.0677293 -0.0009372 0.2012779 -0.0949737 -0.0092953 0.1374722 -0.0195876 -0.0254267 -0.1260059 0.2581921 -0.1729962 0.0616169 -0.0125268 -0.3473565 -0.2825584 -0.1838529 -0.0881763 0.0928982 -0.218959 -0.135852 -0.020574 0.050257 -0.0297499 -0.0943269 0.0255922 0.039002 -0.0095093 -0.1463993 0.7474542 0.9972673 0.3858522 1.1015648 1.1233496 0.606852 0.558302 0.6569393 0.4671501 -0.0988593 -0.0727805 0.0449194 0.0560204 -0.1124146 0.027355 0.0295591 -0.0330513 -0.1454516 0.3236121 -0.738544 0.1163416 -0.5541542 1.7365196 -0.2255745 0.1612414 -0.33938 0.202235 1.8014065 0.1901405 0.5382151 -0.1725489 0.0009543 -0.0390448 0.4813773 0.1282292 0.5418903 -0.3585598 -0.0600296 -0.0960185 0.0773489 -0.1596072 0.0603199 0.1064057 -0.0287056 -0.0773302 -0.2129906 -0.0898595 -0.0668216 -0.0711333 -0.1521895 -0.0103209 -0.1999074 0.0176443 -0.1354811 0.0727544 -0.0719197 0.000961 -0.0828579 -0.1624624 0.0395908 0.0164963 0.0688767 0.0815852 0.0397746 -0.042896 0.007931 -0.0620226 -0.1911507 0.0237882 0.0288022 0.0068457 0.0889009 0.0023626 -0.0609455 0.032868 -0.0480932 -0.1712303 -0.0061733 0.017404 -0.0217796 -0.1212436 0.047459 0.0186623 0.0514247 0.0334241 0.0277043 0.0392783 0.0189008 0.0856335 0.047191 -0.0030454 0.0243566 0.0307687 -0.0446391 -0.0251189 -0.0432795 0.0810797 -0.031512 0.1246848 0.0520795 -0.0265324 0.0056471 0.0151561 -0.0237777 0.1701846 -0.008678 0.1589592 -0.0825621 -0.0938069 -0.0829634 -0.1153357 -0.1034802 -0.0577005 -0.0637219 -0.0866273 -0.0527066 0.063408 0.0046618 0.0633814 0.0423241 0.0849205 0.0539687 -0.0898717 0.0986314 -0.1056883 -0.0757789 0.0885001 -0.0236178 0.0966939 -0.0287971 -0.056885 0.1343461 0.0632398 0.1137152 -0.1343018 -0.0737448 0.1175809 0.0119777 0.1107682 0.0589801 -0.0006328 -0.0431891 0.0264329 0.0553298 0.0085149 -0.1192405 -0.0480253 -0.1053061 -0.014487 -0.1267512 -0.0495584 -0.094165 -0.0110121 0.0558895 0.0324863 0.0660143 0.0790115 0.1324831 0.0048881 0.0205566 0.0548415 0.1328876 0.0103396 0.0069348 0.0619889 -0.04339 0.0635531 0.016298 0.0157089 0.005573 0.0388452 0.1193108 -0.0036538 -0.0743803 0.0292256 0.1752975 0.0187784 -0.0652195 -0.0028207 0.1498297 0.1027959 -0.048275 -0.0657207 -0.0606324 0.0254089 -0.0583109 -0.0720337 -0.0612253 0.145421 0.0685878 0.0543456 -0.0920634 0.0343372 0.1139339 0.0188541 -0.0969212 0.0162551 0.1571995 0.116721 -0.0047781 -0.0485908 -0.0007963 0.2133464 -0.0354075 -0.0805154 -0.0113702 -0.0270149 0.0297459 0.0476044 0.0860891 0.0454681 0.1981955 -0.0279889 0.0890055 -0.0327077 0.0553642 0.0097545 0.0472766 0.0785447 0.0542117 0.1785333 -0.0470862 0.1015921 -0.0264125 0.0100042 0.092475 -0.0000799 -0.0606966 0.0176407 0.185113 -0.0216429 -0.0643977 -0.0288594 -0.0864475 -0.0892946 0.0456238 -0.0578526 0.0559086 0.1865155 -0.000851 -0.0582327 -0.0020493 0.0976381 452.0257656|0.1326251|401.0600738|17.8530786|-23.8269131|413.6002406 0.000002932 0.000005526 0.000003725 0.000002521 0.000007441 0.000001793 -0.000000939 -0.000001516 0.000003625 -0.000004200 -0.000001267 0.000000850 0.000002586 0.000003089 -0.000005753 -0.000000630 0.000003477 0.000011187 0.000000448 -0.000003739 -0.000004874 0.000004250 0.000000399 -0.000006678 0.000003055 0.000005706 -0.000003388 -0.000003633 -0.000000340 0.000003605 -0.000001486 -0.000001074 -0.000001433 -0.000001074 -0.000000922 -0.000001090 0.000000377 0.000002204 0.000000022 0.000000311 0.000000119 -0.000006995 -0.000004677 0.000002397 -0.000000150 0.000007198 -0.000004054 -0.000001631 0.000002883 0.000003098 -0.000001176 0.000000774 0.000000334 -0.000005298 -0.000001664 -0.000005092 0.000000295 -0.000000905 0.000002838 0.000000699 -0.000004659 -0.000002298 -0.000004287 0.000000129 -0.000002074 -0.000000021 0.000003964 0.000001632 0.000002076 -0.000001243 -0.000007361 -0.000001330 -0.000001169 -0.000000007 0.000004581 0.000001219 -0.000001951 0.000004844 -0.000000871 -0.000000744 0.000004343 -0.000005064 -0.000001992 0.000004885 -0.000001137 -0.000000946 0.000000350 0.000000114 0.000001090 0.000000708 0.000002639 0.000001781 -0.000003438 0.000000701 -0.000001108 -0.000003353 -0.000000131 -0.000000450 -0.000000727 0.000001894 0.000001261 -0.000002818 -0.000000150 -0.000002840 -0.000002028 0.000000406 -0.000003191 -0.000000494 -0.000000642 -0.000002454 -0.000000025 0.000000177 0.000003772 -0.000000100 -0.000000127 0.000002796 -0.000004830 -0.000000028 0.000000050 -0.000000887 0.000001372 0.000000698 -0.000002621 0.000000228 0.000000696 0.000000239 -0.000000226 0.000001799 0.000004194 -0.000002179 -0.000004033 0.000003323 -0.000000103 0.000002493 0.000002518 -0.000001960 -0.000004021 0.000003728 -0.000001280 -0.000001220 0.000003837 416.1447031999997 AuxInfo=1/0/N:8;9;10;11;12;13;14;15;16;17;18;19;20;21;22;23;24;25;26;27;28;29;1;2;3;7;4;5;6;30;31;32;33;34;35;36;37;38;39;40;41;42;43;44;45;46;47/rA:47nCl0Cl0F0O0O0O0N0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:-1.6582,-.701,2.7035;-4.3037,.3225,3.4355;4.0539,-3.3966,.4429;.9276,1.8728,-.0327;.7572,4.1198,-.0904;1.8126,-2.9305,-.9719;2.8523,2.774,-2.695;-2.0158,2.0462,-1.0174;-1.8251,1.4177,.3425;-1.2325,2.807,.0639;-3.3542,2.6469,-1.4008;-1.2889,1.4209,-2.1922;-2.9165,1.2916,1.3208;.223,3.028,-.0222;-2.9463,.4244,2.3306;2.3524,1.9192,-.2618;2.8584,.5021,-.0845;2.619,2.4135,-1.6238;2.1248,-.5355,-.6599;4.0073,.2348,.654;2.5086,-1.8548,-.4683;4.4231,-1.0884,.8169;3.671,-2.1069,.2638;.4712,-2.7059,-1.3238;-.4631,-2.4142,-.3343;.1135,-2.8017,-2.6615;-1.7896,-2.2014,-.7014;-1.2216,-2.5983,-3.0164;-2.1711,-2.2938,-2.0414;-1.0895,.6246,.3663;-1.7499,3.6623,.4797;-3.2158,3.3652,-2.2139;-4.0269,1.8599,-1.7557;-3.8399,3.1673,-.5743;-1.0697,2.181,-2.9481;-.3545,.9442,-1.904;-1.9274,.6603,-2.6495;-3.7708,1.9518,1.2249;2.8285,2.6003,.4462;1.2353,-.3214,-1.2336;4.5717,1.0408,1.1064;5.3098,-1.3373,1.3866;-.1434,-2.338,.6975;.8703,-3.0208,-3.4049;-2.5229,-1.96,.0592;-1.513,-2.6671,-4.0581;-3.2033,-2.1231,-2.3236; Gaussian 16 22-Sep-2024 Gaussian 16 3-Jul-2019 EM64L-G16RevC.01 135 C1[X(C22H18Cl2FNO3)] 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 0 416.1447031999997 AuxInfo=1/0/N:8;9;10;11;12;13;14;15;16;17;18;19;20;21;22;23;24;25;26;27;28;29;1;2;3;7;4;5;6;30;31;32;33;34;35;36;37;38;39;40;41;42;43;44;45;46;47/rA:47nCl0Cl0F0O0O0O0N0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:-1.6582,-.701,2.7035;-4.3037,.3225,3.4355;4.0539,-3.3966,.4429;.9276,1.8728,-.0327;.7572,4.1198,-.0904;1.8126,-2.9305,-.9719;2.8523,2.774,-2.695;-2.0158,2.0462,-1.0174;-1.8251,1.4177,.3425;-1.2325,2.807,.0639;-3.3542,2.6469,-1.4008;-1.2889,1.4209,-2.1922;-2.9165,1.2916,1.3208;.223,3.028,-.0222;-2.9463,.4244,2.3306;2.3524,1.9192,-.2618;2.8584,.5021,-.0845;2.619,2.4135,-1.6238;2.1248,-.5355,-.6599;4.0073,.2349,.654;2.5086,-1.8548,-.4683;4.4231,-1.0884,.8169;3.671,-2.1069,.2638;.4712,-2.7059,-1.3238;-.4631,-2.4142,-.3343;.1135,-2.8017,-2.6615;-1.7896,-2.2014,-.7014;-1.2216,-2.5983,-3.0164;-2.1711,-2.2938,-2.0414;-1.0895,.6246,.3663;-1.7499,3.6623,.4797;-3.2158,3.3652,-2.2139;-4.0269,1.8599,-1.7557;-3.8399,3.1673,-.5743;-1.0697,2.181,-2.9481;-.3545,.9442,-1.904;-1.9274,.6603,-2.6495;-3.7708,1.9518,1.2249;2.8285,2.6003,.4462;1.2353,-.3214,-1.2336;4.5717,1.0408,1.1064;5.3098,-1.3373,1.3866;-.1434,-2.338,.6975;.8703,-3.0208,-3.4049;-2.5229,-1.96,.0592;-1.513,-2.6671,-4.0581;-3.2033,-2.1231,-2.3236; 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 Cyfluthrin CONF49 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 19 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 34.9688527 34.9688527 18.9984033 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 3 3 1 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 14.2400000 14.2400000 6.7500000 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 (Enter /usr/local/gaussian/gaussian16/g16/l101.exe) 6-311+G(d,p) (5D, 7F) 0.10000e-02 0.10000e-05 F 791 A 762 A 762 1222 791 112 112 3111.8177115013 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 -0.0615927832 PCM SMD-Coulomb. Total charges None On-the-fly selection Water 78.355300 1.777849 0.000000 2.929571 0.000000 6.708538 9.624846 0.000000 4.560403 6.465147 6.145491 0.000000 6.072894 7.243225 8.224906 2.254167 0.000000 5.525018 8.210797 2.691186 4.973634 7.183116 0.000000 7.846248 9.736590 7.026147 3.406553 3.603394 6.049018 0.000000 4.638986 5.294701 8.282417 3.108609 3.584551 6.279027 5.200252 0.000000 3.176673 4.112112 7.599431 2.815188 3.762580 5.819623 5.739701 1.510199 0.000000 4.410769 5.193562 8.159301 2.355365 2.388715 6.577538 4.929265 1.536812 1.535890 0.000000 5.561533 5.449270 9.736717 4.561186 4.559589 7.614935 6.341224 1.516261 2.624513 2.583155 0.000000 5.348540 6.478181 7.661444 3.127371 3.985978 5.481128 4.385526 1.516436 2.590828 2.648483 2.528819 0.000000 2.732383 2.708405 8.446140 4.116647 4.846273 6.741478 7.183536 2.616832 1.471078 2.590809 3.071739 3.873904 0.000000 4.987308 6.306019 7.494521 1.353140 1.217426 6.239564 3.757909 2.639454 2.630701 1.474611 3.852502 3.094746 3.830783 0.000000 1.750645 1.753241 8.195488 4.763363 5.764800 6.693954 8.024992 3.834733 2.489217 3.708363 4.362304 4.918932 1.331429 4.728443 0.000000 5.634135 7.779711 5.625793 1.443898 2.723369 4.931000 2.626937 4.434936 4.250723 3.707504 5.864468 4.151335 5.537178 2.412760 6.085326 0.000000 5.442357 7.982354 4.111829 2.368463 4.183645 3.696417 3.460725 5.197369 4.791247 4.697829 6.702911 4.741999 5.995633 3.650957 6.287477 1.515157 0.000000 6.835204 8.825711 6.331466 2.384325 2.954503 5.443636 1.154072 4.688789 4.960703 4.223398 5.981931 4.071880 6.369587 2.946850 7.111000 1.473188 2.465838 0.000000 5.064701 7.670410 3.622614 2.761726 4.885391 2.435239 3.952688 4.892670 4.519125 4.792489 6.379387 4.222427 5.716390 4.089330 5.964970 2.497213 1.394975 3.141682 0.000000 6.097013 8.764543 3.637876 3.555128 5.119556 4.180803 4.358532 6.507859 5.959295 5.866758 8.014430 6.128336 7.035650 4.751810 7.155320 2.532641 1.391623 3.444095 2.421454 0.000000 5.362232 8.147891 2.365459 4.072449 6.237506 1.376574 5.148054 5.999160 5.490756 6.000954 7.450343 5.303121 6.521729 5.409722 6.540966 3.782907 2.413452 4.423362 1.387274 2.805762 0.000000 6.378936 9.219806 2.367208 4.659317 6.433310 3.661574 5.451512 7.392554 6.748775 6.908425 8.908229 6.926580 7.732283 5.940519 7.673786 3.807506 2.406317 4.634097 2.787207 1.396613 2.429854 0.000000 6.027319 8.919517 1.357224 4.842771 6.883849 2.378864 5.766116 7.157501 6.529689 6.944801 8.644257 6.563379 7.487499 6.191745 7.380190 4.269004 2.754699 5.010359 2.390223 2.397701 1.396705 1.381528 0.000000 4.977272 7.390686 4.053967 4.779134 6.942144 1.404919 6.130176 5.372276 5.005417 5.934669 6.579673 4.569719 5.869476 5.885016 5.901923 5.104751 4.186404 5.559829 2.808162 5.006367 2.367984 4.776633 3.621957 0.000000 3.686677 6.037517 4.687476 4.517039 6.651467 2.419083 6.594104 4.772097 4.122770 5.292611 5.925480 4.340738 4.742572 5.494152 4.617978 5.168249 4.427109 5.871052 3.214455 5.289444 3.026826 5.192030 4.188427 1.391800 0.000000 6.027892 8.151483 5.051544 5.424457 7.411627 2.399627 6.212112 5.544307 5.530504 6.379443 6.580441 4.474090 6.464943 6.400275 6.685181 5.749609 5.009036 5.878179 3.631402 5.947625 3.382761 5.797104 4.657917 1.387974 2.428714 0.000000 3.723147 5.459386 6.073267 4.942654 6.842339 3.685209 7.090603 4.265368 3.766891 5.097120 5.142371 3.949016 4.190538 5.644348 4.174435 5.859110 5.412329 6.448625 4.254369 6.432427 4.318436 6.491605 5.546067 2.398545 1.392725 2.797222 0.000000 6.042156 7.723825 6.358898 5.788983 7.590101 3.673811 6.749903 5.118363 5.270192 6.221366 5.888140 4.103363 6.067558 6.535062 6.379783 6.385048 5.903799 6.465913 4.583275 6.988518 4.578207 6.988267 5.910949 2.396222 2.793386 1.396412 2.416499 0.000000 5.031270 6.433435 6.792515 5.567475 7.315377 4.173589 7.165436 4.461800 4.424678 5.597406 5.120613 3.820969 4.971392 6.174911 5.206104 6.432539 6.077947 6.728888 4.842960 7.199329 4.956437 7.287290 6.283204 2.768762 2.417803 2.421158 1.396274 1.394596 0.000000 2.746493 4.454490 6.529240 2.405378 3.979356 4.780357 5.434067 2.189418 1.082019 2.207878 3.512996 2.686949 2.166556 2.765809 2.710386 3.730601 3.975428 4.573170 3.568067 5.119752 4.448657 5.790169 5.489460 4.047784 3.180839 4.728066 3.101062 4.674076 3.934891 0.000000 4.898225 5.139390 9.138623 3.260946 2.611480 7.633077 5.661079 2.219007 2.250045 1.082694 2.672257 3.517888 2.772872 2.132241 3.916825 4.518562 5.616204 5.007171 5.825337 6.702469 7.033684 7.796740 7.919398 6.981429 6.264433 7.424520 5.981676 7.190058 6.481373 3.110754 0.000000 6.568150 6.508215 10.277576 4.914481 4.567625 8.152433 6.115740 2.147349 3.501641 3.071385 1.093651 2.737436 4.108902 4.091733 5.419709 6.075033 7.044648 5.941296 6.793550 8.378291 7.941275 9.347292 9.138396 7.158458 6.671695 7.022463 5.942119 6.339022 5.757141 4.323064 3.080970 0.000000 5.661571 5.421119 9.887570 5.245500 5.546826 7.593539 7.002886 2.150324 3.073348 3.466475 1.094442 2.807112 3.319703 4.736070 4.463880 6.552110 7.214098 6.670221 6.691951 8.543676 7.626860 9.311928 8.892206 6.423832 5.743633 6.300351 4.755178 5.416131 4.558387 3.828407 3.664688 1.770171 0.000000 5.519769 4.938275 10.316589 4.969679 4.719586 8.324183 7.031153 2.186425 2.821484 2.708467 1.090800 3.489306 2.821740 4.102556 4.093989 6.324552 7.225658 6.586905 7.021136 8.466744 8.095459 9.398036 9.215925 7.324054 6.527948 7.457575 5.748349 6.786849 5.895827 3.861944 2.392467 1.765474 1.771966 0.000000 6.371263 7.393451 8.298234 3.547384 3.906785 6.191966 3.974652 2.154265 3.461413 3.080662 2.798189 1.094156 4.735521 3.309008 5.871284 4.358395 5.142893 3.926188 4.777091 6.522142 5.936493 7.418563 7.153834 5.375367 5.321306 5.129310 4.977148 4.782188 4.696684 3.661687 3.795605 2.558668 3.204622 3.779086 0.000000 5.063153 6.670324 6.617024 2.451129 3.822244 4.536329 3.775891 2.181841 2.726517 2.848426 3.485756 1.087808 4.133285 2.866538 4.991945 3.312829 3.718733 3.328582 3.143966 5.106035 4.253621 5.861746 5.496692 3.787029 3.708753 3.850287 3.660726 3.812919 3.715256 2.407623 3.875232 3.760836 3.787704 4.342607 1.769565 0.000000 5.529919 6.541258 7.861111 4.058157 5.071890 5.449327 5.226373 2.142935 3.088075 3.528988 2.746226 1.093312 4.140055 4.139175 5.088726 5.059867 5.432105 4.979537 4.669963 6.805412 5.546269 7.443219 6.891047 4.340674 4.117864 4.018806 3.464613 3.354228 3.025819 3.130188 4.339987 3.027560 2.577970 3.774833 1.771267 1.763575 0.000000 3.699588 2.797376 9.510180 4.864412 5.189700 7.735480 7.739959 2.849011 2.202157 2.919335 2.747955 4.256594 1.083903 4.320126 2.058026 6.301214 6.911022 7.011298 6.670696 7.985759 7.535811 8.749235 8.530965 6.795949 5.695135 7.265580 4.988529 6.722394 5.590419 3.112565 2.750506 3.759117 2.992978 2.172417 4.976187 4.740950 4.480769 0.000000 6.010338 8.061829 6.120777 2.090990 2.624398 5.799325 3.146132 5.090914 4.802699 4.084197 6.452893 5.030454 5.956785 2.681683 6.452411 1.091758 2.164464 2.088953 3.398851 2.650982 4.559243 4.035640 4.785419 6.070075 6.048893 6.797851 6.760230 7.444360 7.425344 4.388715 4.700143 6.647949 7.238307 6.769859 5.185934 4.289310 5.997149 6.676692 0.000000 4.900715 7.272964 4.495757 2.520235 4.610845 2.684921 3.785753 4.027698 3.856839 4.190519 5.468334 3.213452 5.134648 3.702828 5.544853 2.685616 2.152423 3.089786 1.079866 3.399394 2.134997 3.867072 3.370860 2.505559 2.841323 3.073966 3.601099 3.794614 4.018224 2.976478 5.264714 5.862102 5.720274 6.193849 3.809870 2.139836 3.601553 6.022723 3.727785 0.000000 6.662996 9.203979 4.516533 3.907557 5.046029 5.263344 4.517807 6.994024 6.453261 6.155799 8.466665 6.735798 7.495454 4.912588 7.641847 2.751110 2.154920 3.626384 3.404685 1.082976 3.888548 2.154006 3.380705 6.062841 6.273878 6.988354 7.365187 7.987646 8.154266 5.724499 6.872206 8.778999 9.099272 8.837456 7.040178 5.773997 7.515896 8.392890 2.430232 4.296771 0.000000 7.119786 9.968571 2.590073 5.614522 7.258602 4.508980 6.292963 8.419728 7.719285 7.856559 9.935181 7.997355 8.636413 6.849518 8.494519 4.697666 3.399504 5.510976 3.869760 2.169079 3.399289 1.082956 2.130355 5.712421 6.119407 6.747796 7.450341 7.977196 8.284241 6.770603 8.698156 10.380829 10.357070 10.385226 8.477395 6.936684 8.523879 9.659263 4.748165 4.949590 2.505755 0.000000 2.999738 5.646550 4.336208 4.405785 6.567708 2.638932 6.827539 5.066358 4.130360 5.297029 6.289812 4.877688 4.610095 5.426393 4.260762 5.027212 4.205691 5.966229 3.199391 4.883554 2.936896 4.735801 3.845896 2.144487 1.082874 3.400598 2.164619 3.876012 3.408050 3.127599 6.215493 7.102236 6.222712 6.752049 5.879622 4.193474 4.834718 5.642603 5.769027 3.113897 5.815071 5.586861 0.000000 7.006277 9.205447 5.008236 5.943345 7.873225 2.610664 6.165418 6.301180 6.403895 7.100582 7.347561 5.085466 7.434381 6.960641 7.702760 6.039837 5.233442 5.980199 3.909657 6.075735 3.559113 5.846334 4.705220 2.142295 3.402170 1.083231 3.880182 2.169267 3.411448 5.599315 8.162152 7.674363 7.108059 8.275987 5.570627 4.412995 4.684918 8.228182 7.089642 3.483516 7.109786 6.745508 4.280624 0.000000 3.053759 4.447559 6.742845 5.157978 6.909800 4.560918 7.673901 4.179174 3.460671 4.938578 4.903705 4.245224 3.509929 5.694412 3.320253 6.238588 5.919518 6.956973 4.914025 6.914795 5.060169 7.041327 6.199050 3.381363 2.145708 3.880915 1.083724 3.399983 2.155772 2.971381 5.690780 5.831294 4.488572 5.331512 5.320085 4.121934 3.815384 4.268315 7.041583 4.298890 7.773971 7.968750 2.492516 4.963806 0.000000 7.043142 8.536961 7.195979 6.540016 8.182853 4.544633 7.107750 5.631509 6.012399 6.858264 6.220162 4.499325 6.824506 7.192835 7.240668 7.098431 6.703952 6.986635 5.415265 7.816564 5.451591 7.841849 6.772539 3.378552 3.877238 2.148072 3.400123 1.083857 2.153970 5.530824 7.791648 6.533692 5.667004 7.182761 4.993327 4.361649 3.636977 7.371737 8.178258 4.586258 8.800245 8.829715 4.959823 2.496419 4.297854 0.000000 5.448112 6.352917 7.870373 6.187092 7.723138 5.257227 7.796778 4.527614 4.641693 5.821567 4.860850 4.030188 5.002445 6.600749 5.312055 7.173370 6.974916 7.414208 5.803200 8.149741 6.011644 8.312312 7.345161 3.852388 3.398675 3.402362 2.153225 2.152390 1.083657 4.387903 6.591087 5.489393 4.106776 5.608407 4.844349 4.207148 3.079200 5.433178 8.146514 4.912812 9.067828 9.319644 4.305408 4.309235 2.483379 2.482192 0.000000 C22H18Cl2FNO3 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 0 416.1447031999997 AuxInfo=1/0/N:8;9;10;11;12;13;14;15;16;17;18;19;20;21;22;23;24;25;26;27;28;29;1;2;3;7;4;5;6;30;31;32;33;34;35;36;37;38;39;40;41;42;43;44;45;46;47/rA:47nCl0Cl0F0O0O0O0N0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:2.0255,-1.6367,-1.9945;4.9514,-1.5283,-1.896;-4.642,-2.2138,-1.5303;-.2825,1.9813,-.4516;.5677,4.0682,-.508;-2.8769,-2.1539,.5004;-2.5028,3.8218,1.3616;2.1479,1.496,1.4248;2.1682,.7228,.1277;1.9932,2.2484,.0937;3.4372,1.7579,2.1787;.9542,1.3071,2.3407;3.3962,.1337,-.4283;.7236,2.876,-.3169;3.4389,-.8667,-1.3058;-1.6212,2.4598,-.7044;-2.4768,1.2302,-.9318;-2.0977,3.2335,.4551;-2.3092,.1437,-.0731;-3.3868,1.1705,-1.983;-3.0193,-1.0297,-.2812;-4.1354,.0071,-2.1742;-3.9384,-1.0702,-1.3321;-1.6951,-2.254,1.2534;-.4733,-2.4064,.6046;-1.788,-2.2157,2.6378;.6869,-2.5109,1.3679;-.6194,-2.3335,3.3932;.616,-2.4755,2.7619;1.2588,.1732,-.0762;2.852,2.8424,-.1925;3.3057,2.614,2.8463;3.693,.8876,2.791;4.2794,1.974,1.5199;.7795,2.2155,2.925;.0418,1.0666,1.7993;1.1579,.4887,3.0364;4.3498,.5371,-.1078;-1.6312,3.1151,-1.5776;-1.6029,.1971,.7421;-3.5106,2.0121,-2.6534;-4.8512,-.0792,-2.9822;-.4406,-2.4216,-.4777;-2.7555,-2.0859,3.1073;1.6452,-2.6159,.8729;-.6782,-2.3018,4.475;1.5214,-2.5526,3.3524; 0.1692205 0.1139286 0.0974891 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= 762 RedAO= T EigKep= 1.08D-06 NBF= 762 NBsUse= 760 1.00D-06 EigRej= 6.21D-07 NBFU= 760 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= 781 781 781 781 781 MxSgAt= 47 MxSgA2= 47. 1 Closed 1 1 1 -2150.22440939475 -2150.22440939458 0.000000000168 -2150.22440939 2 2.143019093051e+03 -1.127770497270e+04 3.872687523056e+03 Using DIIS extrapolation, IDIIS= 1040. NGot= 1415577600 LenX= 1414311438 LenY= 1413684966 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. PT2162.100S 2024-09-22T12:41:02.000 -101.57396 -101.57285 -24.70530 -19.19329 -19.18060 -19.13375 -14.33637 -10.32678 -10.29336 -10.28885 -10.27292 -10.25932 -10.24332 -10.23616 -10.20939 -10.20934 -10.20182 -10.20033 -10.19988 -10.19359 -10.19200 -10.19198 -10.18234 -10.18229 -10.18175 -10.18172 -10.17769 -10.16043 -10.15785 -9.48863 -9.48719 -7.25339 -7.25205 -7.24332 -7.24302 -7.24182 -7.24163 -1.24276 -1.13488 -1.09549 -1.04590 -0.93581 -0.92460 -0.89628 -0.88806 -0.86582 -0.84455 -0.82141 -0.77965 -0.77472 -0.75926 -0.75740 -0.74293 -0.72946 -0.69353 -0.67477 -0.65925 -0.63399 -0.62303 -0.61919 -0.60293 -0.58348 -0.56861 -0.55808 -0.55590 -0.54711 -0.51944 -0.51241 -0.50804 -0.50294 -0.49242 -0.49067 -0.48598 -0.47700 -0.47466 -0.45993 -0.45626 -0.45344 -0.44269 -0.43931 -0.43425 -0.43019 -0.42200 -0.41655 -0.41242 -0.41131 -0.40438 -0.40011 -0.39317 -0.39231 -0.38572 -0.38049 -0.37728 -0.37421 -0.37052 -0.36473 -0.35988 -0.35432 -0.35209 -0.34519 -0.34224 -0.33941 -0.33810 -0.33415 -0.32288 -0.30974 -0.28950 -0.27418 -0.26530 -0.26297 -0.24755 -0.24334 -0.04377 -0.03656 -0.02898 -0.02304 -0.01899 -0.01668 -0.01102 -0.00068 0.00126 0.00883 0.00970 0.01526 0.01830 0.02037 0.02561 0.03006 0.03413 0.03652 0.03868 0.04311 0.04627 0.05295 0.05357 0.05745 0.06160 0.06559 0.06803 0.07076 0.07288 0.07894 0.08172 0.08349 0.08778 0.08904 0.09198 0.09580 0.09839 0.09911 0.10320 0.10525 0.10741 0.10968 0.11363 0.11513 0.11946 0.12063 0.12397 0.12414 0.12749 0.12886 0.13035 0.13597 0.13773 0.13879 0.14322 0.14375 0.14555 0.14949 0.15272 0.15486 0.15645 0.15912 0.16229 0.16541 0.16715 0.16886 0.17184 0.17528 0.18000 0.18127 0.18283 0.18413 0.18812 0.18915 0.19148 0.19479 0.19763 0.20002 0.20338 0.20503 0.20614 0.20883 0.21288 0.21457 0.21493 0.21713 0.22147 0.22324 0.22425 0.22692 0.22927 0.23101 0.23124 0.23400 0.23477 0.23596 0.23935 0.24317 0.24385 0.24518 0.24811 0.24901 0.25225 0.25709 0.25856 0.25950 0.26002 0.26364 0.26768 0.26897 0.26980 0.27096 0.27550 0.27797 0.28020 0.28064 0.28424 0.28710 0.29205 0.29336 0.29534 0.29985 0.30108 0.30592 0.30807 0.30979 0.31408 0.31812 0.31993 0.32310 0.32644 0.32987 0.33071 0.33311 0.33736 0.34001 0.34245 0.34320 0.34881 0.35172 0.35534 0.35893 0.36385 0.36568 0.36695 0.37226 0.37338 0.37569 0.38103 0.38370 0.38744 0.39259 0.39565 0.39919 0.40353 0.40944 0.41117 0.42099 0.42415 0.42641 0.43272 0.43668 0.45196 0.45423 0.45784 0.46167 0.46699 0.47626 0.48380 0.48939 0.49154 0.49930 0.50180 0.50251 0.51198 0.52094 0.52633 0.53198 0.53461 0.53989 0.55086 0.55617 0.56679 0.56759 0.56833 0.57211 0.57397 0.57989 0.58646 0.59091 0.59447 0.59803 0.60310 0.60646 0.61216 0.62091 0.62259 0.62856 0.63475 0.63614 0.64001 0.64388 0.64761 0.65348 0.66006 0.66517 0.66772 0.67034 0.67413 0.67772 0.68151 0.68323 0.68760 0.69229 0.69745 0.70162 0.70216 0.70335 0.70695 0.71082 0.71482 0.72214 0.72582 0.72895 0.73359 0.73529 0.74219 0.74538 0.75004 0.75137 0.75401 0.76007 0.76458 0.76694 0.77065 0.77578 0.78069 0.78835 0.79071 0.79785 0.79906 0.80673 0.80800 0.82194 0.82304 0.83080 0.83449 0.84092 0.84407 0.84854 0.85256 0.85530 0.86223 0.86432 0.86923 0.87478 0.87680 0.89177 0.89540 0.90075 0.90685 0.90872 0.91055 0.92051 0.92576 0.93178 0.93593 0.93719 0.94805 0.94895 0.95677 0.96067 0.96794 0.97429 0.97966 0.98183 0.98323 0.98986 0.99469 1.00264 1.00997 1.01461 1.01899 1.02736 1.03468 1.03865 1.04938 1.05694 1.06114 1.06358 1.07179 1.07509 1.08277 1.09203 1.09780 1.10972 1.11695 1.12007 1.13005 1.13979 1.14388 1.15541 1.15728 1.17754 1.17974 1.18499 1.18874 1.19508 1.21253 1.21900 1.22473 1.23228 1.25082 1.26047 1.26558 1.28180 1.29042 1.29578 1.30446 1.31601 1.32371 1.33266 1.34103 1.35401 1.37664 1.38374 1.39543 1.40608 1.41348 1.42628 1.44015 1.44072 1.44968 1.45572 1.45886 1.46705 1.47805 1.48563 1.48992 1.49984 1.50896 1.51820 1.52666 1.52954 1.53549 1.54019 1.54501 1.55404 1.55719 1.56715 1.57077 1.57525 1.57814 1.58715 1.59035 1.59540 1.59928 1.60745 1.61281 1.61991 1.63209 1.63762 1.64707 1.65097 1.65512 1.65978 1.66769 1.67381 1.68453 1.69058 1.69617 1.70120 1.70554 1.71585 1.71809 1.72181 1.73401 1.74273 1.74735 1.75421 1.76105 1.77021 1.78054 1.78927 1.79535 1.79894 1.81092 1.81576 1.81904 1.82755 1.84424 1.84821 1.84840 1.85970 1.87087 1.87763 1.88709 1.89860 1.90314 1.91152 1.92097 1.92766 1.93088 1.94228 1.94729 1.95206 1.95950 1.96731 1.97446 1.98301 1.98815 1.99821 2.00624 2.00960 2.01827 2.02868 2.03676 2.04046 2.04643 2.05307 2.06569 2.06950 2.07388 2.07790 2.08598 2.09132 2.09896 2.10351 2.10490 2.12125 2.12635 2.15230 2.16760 2.17413 2.19841 2.20471 2.21322 2.22667 2.22950 2.23407 2.23876 2.25009 2.26852 2.27234 2.28748 2.30744 2.31500 2.32459 2.33556 2.33956 2.34007 2.35809 2.37430 2.39282 2.41100 2.42260 2.43658 2.44480 2.46292 2.47170 2.48132 2.48818 2.49808 2.50941 2.52395 2.53929 2.54281 2.55189 2.56798 2.57481 2.58350 2.59132 2.59936 2.60729 2.62733 2.62830 2.65491 2.66054 2.67101 2.68135 2.68646 2.70314 2.70876 2.72095 2.72925 2.73517 2.74461 2.75216 2.75845 2.76212 2.76855 2.76959 2.77324 2.77983 2.78977 2.79894 2.80236 2.80867 2.81528 2.82106 2.82650 2.83445 2.83828 2.84760 2.86246 2.86878 2.87578 2.88285 2.89533 2.90058 2.90962 2.91239 2.92721 2.93679 2.94562 2.95060 2.95849 2.96058 2.97688 2.98659 2.99841 3.00521 3.02159 3.03679 3.05283 3.06184 3.06753 3.09479 3.09827 3.10266 3.11631 3.12392 3.13816 3.15236 3.15849 3.16756 3.17233 3.18283 3.19453 3.20322 3.21892 3.24542 3.26188 3.26822 3.30277 3.31276 3.33634 3.35689 3.36489 3.37675 3.38672 3.40115 3.43078 3.44898 3.46340 3.52874 3.55905 3.56449 3.58417 3.59418 3.63973 3.66055 3.66979 3.71073 3.71342 3.73480 3.76702 3.77700 3.80237 3.82235 3.83976 3.85762 3.86705 3.88914 3.89767 3.96106 3.96802 3.99431 4.00892 4.02038 4.03665 4.06046 4.10143 4.12871 4.13940 4.14976 4.15814 4.17656 4.18965 4.22905 4.24813 4.32129 4.35087 4.53362 4.56987 4.65456 4.83996 4.85644 4.86561 5.10085 5.12958 5.14845 5.23403 5.43110 5.44662 5.65127 5.86354 5.87625 6.33208 6.46080 6.74505 9.75780 9.82796 23.52904 23.55903 23.62798 23.77827 23.80879 23.86212 23.88850 23.91357 23.94553 23.96048 23.98158 23.99257 24.01421 24.03183 24.04531 24.08053 24.09153 24.09665 24.17207 24.18481 24.19611 24.34512 25.83999 25.95863 25.98955 26.21103 26.54356 26.59742 35.86971 49.93608 49.98527 50.01076 66.80026 215.74890 215.83061 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 F 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 0.367819 0.551757 -0.197781 0.144152 -0.326364 -0.026841 -0.351690 0.091183 0.886225 -0.384833 -0.364165 -0.526124 -1.558700 -0.087868 -0.393929 0.383867 0.641188 -0.411727 1.066470 -0.528935 -0.534813 0.046624 -0.936221 -0.378133 0.065105 -0.225082 0.066995 -0.038304 -0.371220 0.203270 0.207655 0.174943 0.171615 0.157880 0.172949 0.140314 0.177483 0.199003 0.256520 0.233900 0.170815 0.184454 0.183270 0.170614 0.189735 0.171145 0.165784 -0.00000 3.9501 -1.2811 0.4564 4.1777 -184.3471 -225.8977 -171.2279 1.7881 22.7333 -16.6542 9.4771 -32.0734 22.5963 1.7881 22.7333 -16.6542 68.6856 -142.7156 2.6990 64.3365 54.2069 -18.5020 -30.1023 -15.4923 -44.9868 49.9412 -8280.7982 -5864.4268 -2912.1904 56.0997 242.5408 104.4359 -68.4834 129.6517 -112.8404 -2400.4686 -1786.9720 -1353.5200 -178.5514 163.2846 46.3137 (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A) (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(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-HAMILTON24 ALCAMI 2024-09-22T00:00:00.000 0 Wavefunction CyfluthrinCONF49 water 0 1 Version=EM64L-G16RevC.01 State=1-A HF=-2150.2244094 RMSD=2.357e-09 Dipole=-1.6026479,0.003276,0.3647008 Quadrupole=17.2588705,-18.7746029,1.5157323,-5.4321873,20.122311,11.4130189 PG=C01 [X(C22H18Cl2F1N1O3)] 0 -1.6581727481 -0.7009968374 2.7035025323 0 -4.3037339684 0.3225203701 3.4354902678 0 4.0539157368 -3.3965994702 0.4429148507 0 0.9275667055 1.8728230087 -0.0326773243 0 0.7571946329 4.1198012908 -0.0904100173 0 1.8126276109 -2.9304555742 -0.9719412967 0 2.8522773611 2.7739995491 -2.6950015977 0 -2.0158458607 2.0461802063 -1.017421802 0 -1.8251455881 1.4177451715 0.3425063119 0 -1.2324599468 2.8070091333 0.0638908451 0 -3.3541769236 2.6469474492 -1.4008225472 0 -1.2888794321 1.4209076195 -2.19221181 0 -2.9165359623 1.2916230166 1.3207852818 0 0.2229573495 3.0279865723 -0.0221663714 0 -2.9462651306 0.4244058013 2.3306136692 0 2.35240763 1.9192005164 -0.2618459165 0 2.8583691826 0.5020786145 -0.0844546872 0 2.6190381251 2.4135116471 -1.6237734378 0 2.1248194731 -0.5355479296 -0.6599471973 0 4.0072595613 0.2348496843 0.6539586181 0 2.5085816036 -1.8548387002 -0.4683012544 0 4.4230512121 -1.0884450823 0.8168599327 0 3.6710032602 -2.1068829053 0.2638432295 0 0.4711607639 -2.7058985707 -1.3238475832 0 -0.4630861179 -2.4142213663 -0.3342952757 0 0.1135320891 -2.8017057398 -2.6615297458 0 -1.7896076393 -2.2014418124 -0.7013777397 0 -1.221622002 -2.5982658132 -3.0164135192 0 -2.1710665363 -2.2937647195 -2.0413583382 0 -1.0895227355 0.6246122043 0.3662768839 0 -1.7499091989 3.6623453737 0.4796691271 0 -3.2157812266 3.3651641186 -2.2138937299 0 -4.0268637475 1.8599441287 -1.7556755697 0 -3.8398852144 3.1673315779 -0.5743038303 0 -1.0697336987 2.1810218983 -2.9481079389 0 -0.354520097 0.9442020062 -1.9040271089 0 -1.9273771245 0.6602798985 -2.6494829749 0 -3.7708084953 1.9518303647 1.2249133381 0 2.8285416777 2.6002634 0.4462401853 0 1.2353215632 -0.3214206827 -1.2335796659 0 4.5716521129 1.0408365437 1.1063771412 0 5.3097710496 -1.3372862973 1.3865962565 0 -0.143371313 -2.3379832185 0.6974922323 0 0.8703152606 -3.0208437081 -3.4049322167 0 -2.5229242838 -1.9599843789 0.0591506976 0 -1.5130437013 -2.6671479451 -4.0580827212 0 -3.2033046996 -2.1231180795 -2.323629891 Gaussian 16 22-Sep-2024 Gaussian 16 3-Jul-2019 EM64L-G16RevC.01 135 C1[X(C22H18Cl2FNO3)] 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 0 416.1447031999997 AuxInfo=1/0/N:8;9;10;11;12;13;14;15;16;17;18;19;20;21;22;23;24;25;26;27;28;29;1;2;3;7;4;5;6;30;31;32;33;34;35;36;37;38;39;40;41;42;43;44;45;46;47/rA:47nCl0Cl0F0O0O0O0N0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:-1.6582,-.701,2.7035;-4.3037,.3225,3.4355;4.0539,-3.3966,.4429;.9276,1.8728,-.0327;.7572,4.1198,-.0904;1.8126,-2.9305,-.9719;2.8523,2.774,-2.695;-2.0158,2.0462,-1.0174;-1.8251,1.4177,.3425;-1.2325,2.807,.0639;-3.3542,2.6469,-1.4008;-1.2889,1.4209,-2.1922;-2.9165,1.2916,1.3208;.223,3.028,-.0222;-2.9463,.4244,2.3306;2.3524,1.9192,-.2618;2.8584,.5021,-.0845;2.619,2.4135,-1.6238;2.1248,-.5355,-.6599;4.0073,.2349,.654;2.5086,-1.8548,-.4683;4.4231,-1.0884,.8169;3.671,-2.1069,.2638;.4712,-2.7059,-1.3238;-.4631,-2.4142,-.3343;.1135,-2.8017,-2.6615;-1.7896,-2.2014,-.7014;-1.2216,-2.5983,-3.0164;-2.1711,-2.2938,-2.0414;-1.0895,.6246,.3663;-1.7499,3.6623,.4797;-3.2158,3.3652,-2.2139;-4.0269,1.8599,-1.7557;-3.8399,3.1673,-.5743;-1.0697,2.181,-2.9481;-.3545,.9442,-1.904;-1.9274,.6603,-2.6495;-3.7708,1.9518,1.2249;2.8285,2.6003,.4462;1.2353,-.3214,-1.2336;4.5717,1.0408,1.1064;5.3098,-1.3373,1.3866;-.1434,-2.338,.6975;.8703,-3.0208,-3.4049;-2.5229,-1.96,.0592;-1.513,-2.6671,-4.0581;-3.2033,-2.1231,-2.3236; 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 Cyfluthrin CONF49 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 19 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 34.9688527 34.9688527 18.9984033 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 3 3 1 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 14.2400000 14.2400000 6.7500000 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 (Enter /usr/local/gaussian/gaussian16/g16/l101.exe) 6-311+G(d,p) (5D, 7F) 0.10000e-02 0.10000e-05 F 791 A 762 A 762 1222 791 112 112 3111.8177115013 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 -0.0615927832 PCM SMD-Coulomb. Total charges None On-the-fly selection Water 78.355300 1.777849 0.000000 2.929571 0.000000 6.708538 9.624846 0.000000 4.560403 6.465147 6.145491 0.000000 6.072894 7.243225 8.224906 2.254167 0.000000 5.525018 8.210797 2.691186 4.973634 7.183116 0.000000 7.846248 9.736590 7.026147 3.406553 3.603394 6.049018 0.000000 4.638986 5.294701 8.282417 3.108609 3.584551 6.279027 5.200252 0.000000 3.176673 4.112112 7.599431 2.815188 3.762580 5.819623 5.739701 1.510199 0.000000 4.410769 5.193562 8.159301 2.355365 2.388715 6.577538 4.929265 1.536812 1.535890 0.000000 5.561533 5.449270 9.736717 4.561186 4.559589 7.614935 6.341224 1.516261 2.624513 2.583155 0.000000 5.348540 6.478181 7.661444 3.127371 3.985978 5.481128 4.385526 1.516436 2.590828 2.648483 2.528819 0.000000 2.732383 2.708405 8.446140 4.116647 4.846273 6.741478 7.183536 2.616832 1.471078 2.590809 3.071739 3.873904 0.000000 4.987308 6.306019 7.494521 1.353140 1.217426 6.239564 3.757909 2.639454 2.630701 1.474611 3.852502 3.094746 3.830783 0.000000 1.750645 1.753241 8.195488 4.763363 5.764800 6.693954 8.024992 3.834733 2.489217 3.708363 4.362304 4.918932 1.331429 4.728443 0.000000 5.634135 7.779711 5.625793 1.443898 2.723369 4.931000 2.626937 4.434936 4.250723 3.707504 5.864468 4.151335 5.537178 2.412760 6.085326 0.000000 5.442357 7.982354 4.111829 2.368463 4.183645 3.696417 3.460725 5.197369 4.791247 4.697829 6.702911 4.741999 5.995633 3.650957 6.287477 1.515157 0.000000 6.835204 8.825711 6.331466 2.384325 2.954503 5.443636 1.154072 4.688789 4.960703 4.223398 5.981931 4.071880 6.369587 2.946850 7.111000 1.473188 2.465838 0.000000 5.064701 7.670410 3.622614 2.761726 4.885391 2.435239 3.952688 4.892670 4.519125 4.792489 6.379387 4.222427 5.716390 4.089330 5.964970 2.497213 1.394975 3.141682 0.000000 6.097013 8.764543 3.637876 3.555128 5.119556 4.180803 4.358532 6.507859 5.959295 5.866758 8.014430 6.128336 7.035650 4.751810 7.155320 2.532641 1.391623 3.444095 2.421454 0.000000 5.362232 8.147891 2.365459 4.072449 6.237506 1.376574 5.148054 5.999160 5.490756 6.000954 7.450343 5.303121 6.521729 5.409722 6.540966 3.782907 2.413452 4.423362 1.387274 2.805762 0.000000 6.378936 9.219806 2.367208 4.659317 6.433310 3.661574 5.451512 7.392554 6.748775 6.908425 8.908229 6.926580 7.732283 5.940519 7.673786 3.807506 2.406317 4.634097 2.787207 1.396613 2.429854 0.000000 6.027319 8.919517 1.357224 4.842771 6.883849 2.378864 5.766116 7.157501 6.529689 6.944801 8.644257 6.563379 7.487499 6.191745 7.380190 4.269004 2.754699 5.010359 2.390223 2.397701 1.396705 1.381528 0.000000 4.977272 7.390686 4.053967 4.779134 6.942144 1.404919 6.130176 5.372276 5.005417 5.934669 6.579673 4.569719 5.869476 5.885016 5.901923 5.104751 4.186404 5.559829 2.808162 5.006367 2.367984 4.776633 3.621957 0.000000 3.686677 6.037517 4.687476 4.517039 6.651467 2.419083 6.594104 4.772097 4.122770 5.292611 5.925480 4.340738 4.742572 5.494152 4.617978 5.168249 4.427109 5.871052 3.214455 5.289444 3.026826 5.192030 4.188427 1.391800 0.000000 6.027892 8.151483 5.051544 5.424457 7.411627 2.399627 6.212112 5.544307 5.530504 6.379443 6.580441 4.474090 6.464943 6.400275 6.685181 5.749609 5.009036 5.878179 3.631402 5.947625 3.382761 5.797104 4.657917 1.387974 2.428714 0.000000 3.723147 5.459386 6.073267 4.942654 6.842339 3.685209 7.090603 4.265368 3.766891 5.097120 5.142371 3.949016 4.190538 5.644348 4.174435 5.859110 5.412329 6.448625 4.254369 6.432427 4.318436 6.491605 5.546067 2.398545 1.392725 2.797222 0.000000 6.042156 7.723825 6.358898 5.788983 7.590101 3.673811 6.749903 5.118363 5.270192 6.221366 5.888140 4.103363 6.067558 6.535062 6.379783 6.385048 5.903799 6.465913 4.583275 6.988518 4.578207 6.988267 5.910949 2.396222 2.793386 1.396412 2.416499 0.000000 5.031270 6.433435 6.792515 5.567475 7.315377 4.173589 7.165436 4.461800 4.424678 5.597406 5.120613 3.820969 4.971392 6.174911 5.206104 6.432539 6.077947 6.728888 4.842960 7.199329 4.956437 7.287290 6.283204 2.768762 2.417803 2.421158 1.396274 1.394596 0.000000 2.746493 4.454490 6.529240 2.405378 3.979356 4.780357 5.434067 2.189418 1.082019 2.207878 3.512996 2.686949 2.166556 2.765809 2.710386 3.730601 3.975428 4.573170 3.568067 5.119752 4.448657 5.790169 5.489460 4.047784 3.180839 4.728066 3.101062 4.674076 3.934891 0.000000 4.898225 5.139390 9.138623 3.260946 2.611480 7.633077 5.661079 2.219007 2.250045 1.082694 2.672257 3.517888 2.772872 2.132241 3.916825 4.518562 5.616204 5.007171 5.825337 6.702469 7.033684 7.796740 7.919398 6.981429 6.264433 7.424520 5.981676 7.190058 6.481373 3.110754 0.000000 6.568150 6.508215 10.277576 4.914481 4.567625 8.152433 6.115740 2.147349 3.501641 3.071385 1.093651 2.737436 4.108902 4.091733 5.419709 6.075033 7.044648 5.941296 6.793550 8.378291 7.941275 9.347292 9.138396 7.158458 6.671695 7.022463 5.942119 6.339022 5.757141 4.323064 3.080970 0.000000 5.661571 5.421119 9.887570 5.245500 5.546826 7.593539 7.002886 2.150324 3.073348 3.466475 1.094442 2.807112 3.319703 4.736070 4.463880 6.552110 7.214098 6.670221 6.691951 8.543676 7.626860 9.311928 8.892206 6.423832 5.743633 6.300351 4.755178 5.416131 4.558387 3.828407 3.664688 1.770171 0.000000 5.519769 4.938275 10.316589 4.969679 4.719586 8.324183 7.031153 2.186425 2.821484 2.708467 1.090800 3.489306 2.821740 4.102556 4.093989 6.324552 7.225658 6.586905 7.021136 8.466744 8.095459 9.398036 9.215925 7.324054 6.527948 7.457575 5.748349 6.786849 5.895827 3.861944 2.392467 1.765474 1.771966 0.000000 6.371263 7.393451 8.298234 3.547384 3.906785 6.191966 3.974652 2.154265 3.461413 3.080662 2.798189 1.094156 4.735521 3.309008 5.871284 4.358395 5.142893 3.926188 4.777091 6.522142 5.936493 7.418563 7.153834 5.375367 5.321306 5.129310 4.977148 4.782188 4.696684 3.661687 3.795605 2.558668 3.204622 3.779086 0.000000 5.063153 6.670324 6.617024 2.451129 3.822244 4.536329 3.775891 2.181841 2.726517 2.848426 3.485756 1.087808 4.133285 2.866538 4.991945 3.312829 3.718733 3.328582 3.143966 5.106035 4.253621 5.861746 5.496692 3.787029 3.708753 3.850287 3.660726 3.812919 3.715256 2.407623 3.875232 3.760836 3.787704 4.342607 1.769565 0.000000 5.529919 6.541258 7.861111 4.058157 5.071890 5.449327 5.226373 2.142935 3.088075 3.528988 2.746226 1.093312 4.140055 4.139175 5.088726 5.059867 5.432105 4.979537 4.669963 6.805412 5.546269 7.443219 6.891047 4.340674 4.117864 4.018806 3.464613 3.354228 3.025819 3.130188 4.339987 3.027560 2.577970 3.774833 1.771267 1.763575 0.000000 3.699588 2.797376 9.510180 4.864412 5.189700 7.735480 7.739959 2.849011 2.202157 2.919335 2.747955 4.256594 1.083903 4.320126 2.058026 6.301214 6.911022 7.011298 6.670696 7.985759 7.535811 8.749235 8.530965 6.795949 5.695135 7.265580 4.988529 6.722394 5.590419 3.112565 2.750506 3.759117 2.992978 2.172417 4.976187 4.740950 4.480769 0.000000 6.010338 8.061829 6.120777 2.090990 2.624398 5.799325 3.146132 5.090914 4.802699 4.084197 6.452893 5.030454 5.956785 2.681683 6.452411 1.091758 2.164464 2.088953 3.398851 2.650982 4.559243 4.035640 4.785419 6.070075 6.048893 6.797851 6.760230 7.444360 7.425344 4.388715 4.700143 6.647949 7.238307 6.769859 5.185934 4.289310 5.997149 6.676692 0.000000 4.900715 7.272964 4.495757 2.520235 4.610845 2.684921 3.785753 4.027698 3.856839 4.190519 5.468334 3.213452 5.134648 3.702828 5.544853 2.685616 2.152423 3.089786 1.079866 3.399394 2.134997 3.867072 3.370860 2.505559 2.841323 3.073966 3.601099 3.794614 4.018224 2.976478 5.264714 5.862102 5.720274 6.193849 3.809870 2.139836 3.601553 6.022723 3.727785 0.000000 6.662996 9.203979 4.516533 3.907557 5.046029 5.263344 4.517807 6.994024 6.453261 6.155799 8.466665 6.735798 7.495454 4.912588 7.641847 2.751110 2.154920 3.626384 3.404685 1.082976 3.888548 2.154006 3.380705 6.062841 6.273878 6.988354 7.365187 7.987646 8.154266 5.724499 6.872206 8.778999 9.099272 8.837456 7.040178 5.773997 7.515896 8.392890 2.430232 4.296771 0.000000 7.119786 9.968571 2.590073 5.614522 7.258602 4.508980 6.292963 8.419728 7.719285 7.856559 9.935181 7.997355 8.636413 6.849518 8.494519 4.697666 3.399504 5.510976 3.869760 2.169079 3.399289 1.082956 2.130355 5.712421 6.119407 6.747796 7.450341 7.977196 8.284241 6.770603 8.698156 10.380829 10.357070 10.385226 8.477395 6.936684 8.523879 9.659263 4.748165 4.949590 2.505755 0.000000 2.999738 5.646550 4.336208 4.405785 6.567708 2.638932 6.827539 5.066358 4.130360 5.297029 6.289812 4.877688 4.610095 5.426393 4.260762 5.027212 4.205691 5.966229 3.199391 4.883554 2.936896 4.735801 3.845896 2.144487 1.082874 3.400598 2.164619 3.876012 3.408050 3.127599 6.215493 7.102236 6.222712 6.752049 5.879622 4.193474 4.834718 5.642603 5.769027 3.113897 5.815071 5.586861 0.000000 7.006277 9.205447 5.008236 5.943345 7.873225 2.610664 6.165418 6.301180 6.403895 7.100582 7.347561 5.085466 7.434381 6.960641 7.702760 6.039837 5.233442 5.980199 3.909657 6.075735 3.559113 5.846334 4.705220 2.142295 3.402170 1.083231 3.880182 2.169267 3.411448 5.599315 8.162152 7.674363 7.108059 8.275987 5.570627 4.412995 4.684918 8.228182 7.089642 3.483516 7.109786 6.745508 4.280624 0.000000 3.053759 4.447559 6.742845 5.157978 6.909800 4.560918 7.673901 4.179174 3.460671 4.938578 4.903705 4.245224 3.509929 5.694412 3.320253 6.238588 5.919518 6.956973 4.914025 6.914795 5.060169 7.041327 6.199050 3.381363 2.145708 3.880915 1.083724 3.399983 2.155772 2.971381 5.690780 5.831294 4.488572 5.331512 5.320085 4.121934 3.815384 4.268315 7.041583 4.298890 7.773971 7.968750 2.492516 4.963806 0.000000 7.043142 8.536961 7.195979 6.540016 8.182853 4.544633 7.107750 5.631509 6.012399 6.858264 6.220162 4.499325 6.824506 7.192835 7.240668 7.098431 6.703952 6.986635 5.415265 7.816564 5.451591 7.841849 6.772539 3.378552 3.877238 2.148072 3.400123 1.083857 2.153970 5.530824 7.791648 6.533692 5.667004 7.182761 4.993327 4.361649 3.636977 7.371737 8.178258 4.586258 8.800245 8.829715 4.959823 2.496419 4.297854 0.000000 5.448112 6.352917 7.870373 6.187092 7.723138 5.257227 7.796778 4.527614 4.641693 5.821567 4.860850 4.030188 5.002445 6.600749 5.312055 7.173370 6.974916 7.414208 5.803200 8.149741 6.011644 8.312312 7.345161 3.852388 3.398675 3.402362 2.153225 2.152390 1.083657 4.387903 6.591087 5.489393 4.106776 5.608407 4.844349 4.207148 3.079200 5.433178 8.146514 4.912812 9.067828 9.319644 4.305408 4.309235 2.483379 2.482192 0.000000 C22H18Cl2FNO3 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 0 416.1447031999997 AuxInfo=1/0/N:8;9;10;11;12;13;14;15;16;17;18;19;20;21;22;23;24;25;26;27;28;29;1;2;3;7;4;5;6;30;31;32;33;34;35;36;37;38;39;40;41;42;43;44;45;46;47/rA:47nCl0Cl0F0O0O0O0N0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:2.0255,-1.6367,-1.9945;4.9514,-1.5283,-1.896;-4.642,-2.2138,-1.5303;-.2825,1.9813,-.4516;.5677,4.0682,-.508;-2.8769,-2.1539,.5004;-2.5028,3.8218,1.3616;2.1479,1.496,1.4248;2.1682,.7228,.1277;1.9932,2.2484,.0937;3.4372,1.7579,2.1787;.9542,1.3071,2.3407;3.3962,.1337,-.4283;.7236,2.876,-.3169;3.4389,-.8667,-1.3058;-1.6212,2.4598,-.7044;-2.4768,1.2302,-.9318;-2.0977,3.2335,.4551;-2.3092,.1437,-.0731;-3.3868,1.1705,-1.983;-3.0193,-1.0297,-.2812;-4.1354,.0071,-2.1742;-3.9384,-1.0702,-1.3321;-1.6951,-2.254,1.2534;-.4733,-2.4064,.6046;-1.788,-2.2157,2.6378;.6869,-2.5109,1.3679;-.6194,-2.3335,3.3932;.616,-2.4755,2.7619;1.2588,.1732,-.0762;2.852,2.8424,-.1925;3.3057,2.614,2.8463;3.693,.8876,2.791;4.2794,1.974,1.5199;.7795,2.2155,2.925;.0418,1.0666,1.7993;1.1579,.4887,3.0364;4.3498,.5371,-.1078;-1.6312,3.1151,-1.5776;-1.6029,.1971,.7421;-3.5106,2.0121,-2.6534;-4.8512,-.0792,-2.9822;-.4406,-2.4216,-.4777;-2.7555,-2.0859,3.1073;1.6452,-2.6159,.8729;-.6782,-2.3018,4.475;1.5214,-2.5526,3.3524; 0.1692205 0.1139286 0.0974891 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= 762 RedAO= T EigKep= 1.08D-06 NBF= 762 NBsUse= 760 1.00D-06 EigRej= 6.21D-07 NBFU= 760 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= 781 781 781 781 781 MxSgAt= 47 MxSgA2= 47. 1 Closed 1 1 1 -2150.22440939475 -2150.22440939 1 2.143019093034e+03 -1.127770497010e+04 3.872687520469e+03 Using DIIS extrapolation, IDIIS= 1040. NGot= 1415577600 LenX= 1414311438 LenY= 1413684966 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 4.7176 262.81 0.0444 0.000 108 115 -0.10867 109 115 -0.12992 112 113 0.66024 -2150.05104155 2 Singlet-A 5.0444 245.79 0.1140 0.000 106 114 0.10303 111 113 0.29749 111 114 0.57381 111 117 -0.15811 111 119 -0.13417 3 Singlet-A 5.0609 244.99 0.0305 0.000 111 113 0.63864 111 114 -0.26273 4 Singlet-A 5.1226 242.03 0.0095 0.000 112 114 0.68635 112 115 0.12080 5 Singlet-A 5.1470 240.89 0.0604 0.000 108 113 0.10018 108 115 0.13069 109 113 0.13290 109 115 -0.11506 109 116 0.10531 109 118 0.18419 110 113 -0.21803 110 116 -0.12583 112 115 0.36731 112 116 0.35935 112 118 -0.20317 6 Singlet-A 5.2120 237.88 0.0376 0.000 110 113 0.15977 111 116 0.10263 111 117 0.45968 112 115 0.36303 112 116 -0.23582 7 Singlet-A 5.2158 237.71 0.0690 0.000 110 113 -0.17441 111 114 0.11525 111 116 0.11464 111 117 0.44706 112 115 -0.38192 112 116 0.20514 8 Singlet-A 5.3309 232.58 0.0033 0.000 108 113 -0.12187 110 113 0.52528 110 115 -0.10036 112 116 0.40349 9 Singlet-A 5.4658 226.84 0.0010 0.000 111 115 0.68780 10 Singlet-A 5.4854 226.02 0.0314 0.000 109 113 0.51502 110 116 0.12141 112 118 0.38391 PT69327.500S 2024-09-22T17:31:05.000 -101.57396 -101.57285 -24.70530 -19.19329 -19.18060 -19.13375 -14.33637 -10.32678 -10.29336 -10.28885 -10.27292 -10.25932 -10.24332 -10.23616 -10.20939 -10.20934 -10.20182 -10.20033 -10.19988 -10.19359 -10.19200 -10.19198 -10.18234 -10.18229 -10.18175 -10.18172 -10.17769 -10.16043 -10.15785 -9.48863 -9.48719 -7.25339 -7.25205 -7.24332 -7.24302 -7.24182 -7.24163 -1.24276 -1.13488 -1.09549 -1.04590 -0.93581 -0.92460 -0.89628 -0.88806 -0.86582 -0.84455 -0.82141 -0.77965 -0.77472 -0.75926 -0.75740 -0.74293 -0.72946 -0.69353 -0.67477 -0.65925 -0.63399 -0.62303 -0.61919 -0.60293 -0.58348 -0.56861 -0.55808 -0.55590 -0.54711 -0.51944 -0.51241 -0.50804 -0.50294 -0.49242 -0.49067 -0.48598 -0.47700 -0.47466 -0.45993 -0.45626 -0.45344 -0.44269 -0.43931 -0.43425 -0.43019 -0.42200 -0.41655 -0.41242 -0.41131 -0.40438 -0.40011 -0.39317 -0.39231 -0.38572 -0.38049 -0.37728 -0.37421 -0.37052 -0.36473 -0.35988 -0.35432 -0.35209 -0.34519 -0.34224 -0.33941 -0.33810 -0.33415 -0.32288 -0.30974 -0.28950 -0.27418 -0.26530 -0.26297 -0.24755 -0.24334 -0.04377 -0.03656 -0.02898 -0.02304 -0.01899 -0.01668 -0.01102 -0.00068 0.00126 0.00883 0.00970 0.01526 0.01830 0.02037 0.02561 0.03006 0.03413 0.03652 0.03868 0.04311 0.04627 0.05295 0.05357 0.05745 0.06160 0.06559 0.06803 0.07076 0.07288 0.07894 0.08172 0.08349 0.08778 0.08904 0.09198 0.09580 0.09839 0.09911 0.10320 0.10525 0.10741 0.10968 0.11363 0.11513 0.11946 0.12063 0.12397 0.12414 0.12749 0.12886 0.13035 0.13597 0.13773 0.13879 0.14322 0.14375 0.14555 0.14949 0.15272 0.15486 0.15645 0.15912 0.16229 0.16541 0.16715 0.16886 0.17184 0.17528 0.18000 0.18127 0.18283 0.18413 0.18812 0.18915 0.19148 0.19479 0.19763 0.20002 0.20338 0.20503 0.20614 0.20883 0.21288 0.21457 0.21493 0.21713 0.22147 0.22324 0.22425 0.22692 0.22927 0.23101 0.23124 0.23400 0.23477 0.23596 0.23935 0.24317 0.24385 0.24518 0.24811 0.24901 0.25225 0.25709 0.25856 0.25950 0.26002 0.26364 0.26768 0.26897 0.26980 0.27096 0.27550 0.27797 0.28020 0.28064 0.28424 0.28710 0.29205 0.29336 0.29534 0.29985 0.30108 0.30592 0.30807 0.30979 0.31408 0.31812 0.31993 0.32310 0.32644 0.32987 0.33071 0.33311 0.33736 0.34001 0.34245 0.34320 0.34881 0.35172 0.35534 0.35893 0.36385 0.36568 0.36695 0.37226 0.37338 0.37569 0.38103 0.38370 0.38744 0.39259 0.39565 0.39919 0.40353 0.40944 0.41117 0.42099 0.42415 0.42641 0.43272 0.43668 0.45196 0.45423 0.45784 0.46167 0.46699 0.47626 0.48380 0.48939 0.49154 0.49930 0.50180 0.50251 0.51198 0.52094 0.52633 0.53198 0.53461 0.53989 0.55086 0.55617 0.56679 0.56759 0.56833 0.57211 0.57397 0.57989 0.58646 0.59091 0.59447 0.59803 0.60310 0.60646 0.61216 0.62091 0.62259 0.62856 0.63475 0.63614 0.64001 0.64388 0.64761 0.65348 0.66006 0.66517 0.66772 0.67034 0.67413 0.67772 0.68151 0.68323 0.68760 0.69229 0.69745 0.70162 0.70216 0.70335 0.70695 0.71082 0.71482 0.72214 0.72582 0.72895 0.73359 0.73529 0.74219 0.74538 0.75004 0.75137 0.75401 0.76007 0.76458 0.76694 0.77065 0.77578 0.78069 0.78835 0.79071 0.79785 0.79906 0.80673 0.80800 0.82194 0.82304 0.83080 0.83449 0.84092 0.84407 0.84854 0.85256 0.85530 0.86223 0.86432 0.86923 0.87478 0.87680 0.89177 0.89540 0.90075 0.90685 0.90872 0.91055 0.92051 0.92576 0.93178 0.93593 0.93719 0.94805 0.94895 0.95677 0.96067 0.96794 0.97429 0.97966 0.98183 0.98323 0.98986 0.99469 1.00264 1.00997 1.01461 1.01899 1.02736 1.03468 1.03865 1.04938 1.05694 1.06114 1.06358 1.07179 1.07509 1.08277 1.09203 1.09780 1.10972 1.11695 1.12007 1.13005 1.13979 1.14388 1.15541 1.15728 1.17754 1.17974 1.18499 1.18874 1.19508 1.21253 1.21900 1.22473 1.23228 1.25082 1.26047 1.26558 1.28180 1.29042 1.29578 1.30446 1.31601 1.32371 1.33266 1.34103 1.35401 1.37664 1.38374 1.39543 1.40608 1.41348 1.42628 1.44015 1.44072 1.44968 1.45572 1.45886 1.46705 1.47805 1.48563 1.48992 1.49984 1.50896 1.51820 1.52666 1.52954 1.53549 1.54019 1.54501 1.55404 1.55719 1.56715 1.57077 1.57525 1.57814 1.58715 1.59035 1.59540 1.59928 1.60745 1.61281 1.61991 1.63209 1.63762 1.64707 1.65097 1.65512 1.65978 1.66769 1.67381 1.68453 1.69058 1.69617 1.70120 1.70554 1.71585 1.71809 1.72181 1.73401 1.74273 1.74735 1.75421 1.76105 1.77021 1.78054 1.78927 1.79535 1.79894 1.81092 1.81576 1.81904 1.82755 1.84424 1.84821 1.84840 1.85970 1.87087 1.87763 1.88709 1.89860 1.90314 1.91152 1.92097 1.92766 1.93088 1.94228 1.94729 1.95206 1.95950 1.96731 1.97446 1.98301 1.98815 1.99821 2.00624 2.00960 2.01827 2.02868 2.03676 2.04046 2.04643 2.05307 2.06569 2.06950 2.07388 2.07790 2.08598 2.09132 2.09896 2.10351 2.10490 2.12125 2.12635 2.15230 2.16760 2.17413 2.19841 2.20471 2.21322 2.22667 2.22950 2.23407 2.23876 2.25009 2.26852 2.27234 2.28748 2.30744 2.31500 2.32459 2.33556 2.33956 2.34007 2.35809 2.37430 2.39282 2.41100 2.42260 2.43658 2.44480 2.46292 2.47170 2.48132 2.48818 2.49808 2.50941 2.52395 2.53929 2.54281 2.55189 2.56798 2.57481 2.58350 2.59132 2.59936 2.60729 2.62733 2.62830 2.65491 2.66054 2.67101 2.68135 2.68646 2.70314 2.70876 2.72095 2.72925 2.73517 2.74461 2.75216 2.75845 2.76212 2.76855 2.76959 2.77324 2.77983 2.78977 2.79894 2.80236 2.80867 2.81528 2.82106 2.82650 2.83445 2.83828 2.84760 2.86246 2.86878 2.87578 2.88285 2.89533 2.90058 2.90962 2.91239 2.92721 2.93679 2.94562 2.95060 2.95849 2.96058 2.97688 2.98659 2.99841 3.00521 3.02159 3.03679 3.05283 3.06184 3.06753 3.09479 3.09827 3.10266 3.11631 3.12392 3.13816 3.15236 3.15849 3.16756 3.17233 3.18283 3.19453 3.20322 3.21892 3.24542 3.26188 3.26822 3.30277 3.31276 3.33634 3.35689 3.36489 3.37675 3.38672 3.40115 3.43078 3.44898 3.46340 3.52874 3.55905 3.56449 3.58417 3.59418 3.63973 3.66055 3.66979 3.71073 3.71342 3.73480 3.76702 3.77700 3.80237 3.82235 3.83976 3.85762 3.86705 3.88914 3.89767 3.96106 3.96802 3.99431 4.00892 4.02038 4.03665 4.06046 4.10143 4.12871 4.13940 4.14976 4.15814 4.17656 4.18965 4.22905 4.24813 4.32129 4.35087 4.53362 4.56987 4.65456 4.83996 4.85644 4.86561 5.10085 5.12958 5.14845 5.23403 5.43110 5.44662 5.65127 5.86354 5.87625 6.33208 6.46080 6.74505 9.75780 9.82796 23.52904 23.55903 23.62798 23.77827 23.80879 23.86212 23.88850 23.91357 23.94553 23.96048 23.98158 23.99257 24.01421 24.03183 24.04531 24.08053 24.09153 24.09665 24.17207 24.18481 24.19611 24.34512 25.83999 25.95863 25.98955 26.21103 26.54356 26.59742 35.86971 49.93608 49.98527 50.01076 66.80026 215.74890 215.83061 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 F 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 0.367819 0.551757 -0.197781 0.144151 -0.326364 -0.026841 -0.351690 0.091183 0.886225 -0.384833 -0.364165 -0.526124 -1.558700 -0.087868 -0.393929 0.383867 0.641188 -0.411727 1.066470 -0.528935 -0.534813 0.046624 -0.936221 -0.378133 0.065105 -0.225082 0.066995 -0.038304 -0.371220 0.203270 0.207655 0.174943 0.171615 0.157880 0.172949 0.140314 0.177483 0.199003 0.256520 0.233900 0.170815 0.184454 0.183270 0.170614 0.189735 0.171145 0.165784 -0.00000 3.9501 -1.2811 0.4564 4.1777 -184.3471 -225.8977 -171.2279 1.7881 22.7334 -16.6542 9.4771 -32.0734 22.5963 1.7881 22.7334 -16.6542 68.6856 -142.7155 2.6990 64.3365 54.2069 -18.5020 -30.1023 -15.4923 -44.9868 49.9412 -8280.7981 -5864.4266 -2912.1904 56.0996 242.5408 104.4359 -68.4835 129.6517 -112.8404 -2400.4686 -1786.9719 -1353.5200 -178.5514 163.2846 46.3137 (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A) (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(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-HAMILTON24 ALCAMI 2024-09-22T00:00:00.000 0 Electronic spectrum Cyfluthrin CONF49 water 0 1 Version=EM64L-G16RevC.01 State=1-A HF=-2150.2244094 RMSD=5.855e-09 PG=C01 [X(C22H18Cl2F1N1O3)] 0 -1.6581727481 -0.7009968374 2.7035025323 0 -4.3037339684 0.3225203701 3.4354902678 0 4.0539157368 -3.3965994702 0.4429148507 0 0.9275667055 1.8728230087 -0.0326773243 0 0.7571946329 4.1198012908 -0.0904100173 0 1.8126276109 -2.9304555742 -0.9719412967 0 2.8522773611 2.7739995491 -2.6950015977 0 -2.0158458607 2.0461802063 -1.017421802 0 -1.8251455881 1.4177451715 0.3425063119 0 -1.2324599468 2.8070091333 0.0638908451 0 -3.3541769236 2.6469474492 -1.4008225472 0 -1.2888794321 1.4209076195 -2.19221181 0 -2.9165359623 1.2916230166 1.3207852818 0 0.2229573495 3.0279865723 -0.0221663714 0 -2.9462651306 0.4244058013 2.3306136692 0 2.35240763 1.9192005164 -0.2618459165 0 2.8583691826 0.5020786145 -0.0844546872 0 2.6190381251 2.4135116471 -1.6237734378 0 2.1248194731 -0.5355479296 -0.6599471973 0 4.0072595613 0.2348496843 0.6539586181 0 2.5085816036 -1.8548387002 -0.4683012544 0 4.4230512121 -1.0884450823 0.8168599327 0 3.6710032602 -2.1068829053 0.2638432295 0 0.4711607639 -2.7058985707 -1.3238475832 0 -0.4630861179 -2.4142213663 -0.3342952757 0 0.1135320891 -2.8017057398 -2.6615297458 0 -1.7896076393 -2.2014418124 -0.7013777397 0 -1.221622002 -2.5982658132 -3.0164135192 0 -2.1710665363 -2.2937647195 -2.0413583382 0 -1.0895227355 0.6246122043 0.3662768839 0 -1.7499091989 3.6623453737 0.4796691271 0 -3.2157812266 3.3651641186 -2.2138937299 0 -4.0268637475 1.8599441287 -1.7556755697 0 -3.8398852144 3.1673315779 -0.5743038303 0 -1.0697336987 2.1810218983 -2.9481079389 0 -0.354520097 0.9442020062 -1.9040271089 0 -1.9273771245 0.6602798985 -2.6494829749 0 -3.7708084953 1.9518303647 1.2249133381 0 2.8285416777 2.6002634 0.4462401853 0 1.2353215632 -0.3214206827 -1.2335796659 0 4.5716521129 1.0408365437 1.1063771412 0 5.3097710496 -1.3372862973 1.3865962565 0 -0.143371313 -2.3379832185 0.6974922323 0 0.8703152606 -3.0208437081 -3.4049322167 0 -2.5229242838 -1.9599843789 0.0591506976 0 -1.5130437013 -2.6671479451 -4.0580827212 0 -3.2033046996 -2.1231180795 -2.323629891 Gaussian 16 22-Sep-2024 Gaussian 16 3-Jul-2019 EM64L-G16RevC.01 135 C1[X(C22H18Cl2FNO3)] 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 0 416.1447031999997 AuxInfo=1/0/N:8;9;10;11;12;13;14;15;16;17;18;19;20;21;22;23;24;25;26;27;28;29;1;2;3;7;4;5;6;30;31;32;33;34;35;36;37;38;39;40;41;42;43;44;45;46;47/rA:47nCl0Cl0F0O0O0O0N0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:-1.6582,-.701,2.7035;-4.3037,.3225,3.4355;4.0539,-3.3966,.4429;.9276,1.8728,-.0327;.7572,4.1198,-.0904;1.8126,-2.9305,-.9719;2.8523,2.774,-2.695;-2.0158,2.0462,-1.0174;-1.8251,1.4177,.3425;-1.2325,2.807,.0639;-3.3542,2.6469,-1.4008;-1.2889,1.4209,-2.1922;-2.9165,1.2916,1.3208;.223,3.028,-.0222;-2.9463,.4244,2.3306;2.3524,1.9192,-.2618;2.8584,.5021,-.0845;2.619,2.4135,-1.6238;2.1248,-.5355,-.6599;4.0073,.2349,.654;2.5086,-1.8548,-.4683;4.4231,-1.0884,.8169;3.671,-2.1069,.2638;.4712,-2.7059,-1.3238;-.4631,-2.4142,-.3343;.1135,-2.8017,-2.6615;-1.7896,-2.2014,-.7014;-1.2216,-2.5983,-3.0164;-2.1711,-2.2938,-2.0414;-1.0895,.6246,.3663;-1.7499,3.6623,.4797;-3.2158,3.3652,-2.2139;-4.0269,1.8599,-1.7557;-3.8399,3.1673,-.5743;-1.0697,2.181,-2.9481;-.3545,.9442,-1.904;-1.9274,.6603,-2.6495;-3.7708,1.9518,1.2249;2.8285,2.6003,.4462;1.2353,-.3214,-1.2336;4.5717,1.0408,1.1064;5.3098,-1.3373,1.3866;-.1434,-2.338,.6975;.8703,-3.0208,-3.4049;-2.5229,-1.96,.0592;-1.513,-2.6671,-4.0581;-3.2033,-2.1231,-2.3236; 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 Cyfluthrin CONF49 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 19 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 34.9688527 34.9688527 18.9984033 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 3 3 1 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 14.2400000 14.2400000 6.7500000 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 (Enter /usr/local/gaussian/gaussian16/g16/l101.exe) 6-311+G(3df,2p) (5D, 7F) 0.10000e-02 0.10000e-05 F 1483 A 1309 A 1309 1914 1483 112 112 3111.8177115013 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 -0.0615927832 PCM SMD-Coulomb. Total charges None On-the-fly selection Water 78.355300 1.777849 0.000000 2.929571 0.000000 6.708538 9.624846 0.000000 4.560403 6.465147 6.145491 0.000000 6.072894 7.243225 8.224906 2.254167 0.000000 5.525018 8.210797 2.691186 4.973634 7.183116 0.000000 7.846248 9.736590 7.026147 3.406553 3.603394 6.049018 0.000000 4.638986 5.294701 8.282417 3.108609 3.584551 6.279027 5.200252 0.000000 3.176673 4.112112 7.599431 2.815188 3.762580 5.819623 5.739701 1.510199 0.000000 4.410769 5.193562 8.159301 2.355365 2.388715 6.577538 4.929265 1.536812 1.535890 0.000000 5.561533 5.449270 9.736717 4.561186 4.559589 7.614935 6.341224 1.516261 2.624513 2.583155 0.000000 5.348540 6.478181 7.661444 3.127371 3.985978 5.481128 4.385526 1.516436 2.590828 2.648483 2.528819 0.000000 2.732383 2.708405 8.446140 4.116647 4.846273 6.741478 7.183536 2.616832 1.471078 2.590809 3.071739 3.873904 0.000000 4.987308 6.306019 7.494521 1.353140 1.217426 6.239564 3.757909 2.639454 2.630701 1.474611 3.852502 3.094746 3.830783 0.000000 1.750645 1.753241 8.195488 4.763363 5.764800 6.693954 8.024992 3.834733 2.489217 3.708363 4.362304 4.918932 1.331429 4.728443 0.000000 5.634135 7.779711 5.625793 1.443898 2.723369 4.931000 2.626937 4.434936 4.250723 3.707504 5.864468 4.151335 5.537178 2.412760 6.085326 0.000000 5.442357 7.982354 4.111829 2.368463 4.183645 3.696417 3.460725 5.197369 4.791247 4.697829 6.702911 4.741999 5.995633 3.650957 6.287477 1.515157 0.000000 6.835204 8.825711 6.331466 2.384325 2.954503 5.443636 1.154072 4.688789 4.960703 4.223398 5.981931 4.071880 6.369587 2.946850 7.111000 1.473188 2.465838 0.000000 5.064701 7.670410 3.622614 2.761726 4.885391 2.435239 3.952688 4.892670 4.519125 4.792489 6.379387 4.222427 5.716390 4.089330 5.964970 2.497213 1.394975 3.141682 0.000000 6.097013 8.764543 3.637876 3.555128 5.119556 4.180803 4.358532 6.507859 5.959295 5.866758 8.014430 6.128336 7.035650 4.751810 7.155320 2.532641 1.391623 3.444095 2.421454 0.000000 5.362232 8.147891 2.365459 4.072449 6.237506 1.376574 5.148054 5.999160 5.490756 6.000954 7.450343 5.303121 6.521729 5.409722 6.540966 3.782907 2.413452 4.423362 1.387274 2.805762 0.000000 6.378936 9.219806 2.367208 4.659317 6.433310 3.661574 5.451512 7.392554 6.748775 6.908425 8.908229 6.926580 7.732283 5.940519 7.673786 3.807506 2.406317 4.634097 2.787207 1.396613 2.429854 0.000000 6.027319 8.919517 1.357224 4.842771 6.883849 2.378864 5.766116 7.157501 6.529689 6.944801 8.644257 6.563379 7.487499 6.191745 7.380190 4.269004 2.754699 5.010359 2.390223 2.397701 1.396705 1.381528 0.000000 4.977272 7.390686 4.053967 4.779134 6.942144 1.404919 6.130176 5.372276 5.005417 5.934669 6.579673 4.569719 5.869476 5.885016 5.901923 5.104751 4.186404 5.559829 2.808162 5.006367 2.367984 4.776633 3.621957 0.000000 3.686677 6.037517 4.687476 4.517039 6.651467 2.419083 6.594104 4.772097 4.122770 5.292611 5.925480 4.340738 4.742572 5.494152 4.617978 5.168249 4.427109 5.871052 3.214455 5.289444 3.026826 5.192030 4.188427 1.391800 0.000000 6.027892 8.151483 5.051544 5.424457 7.411627 2.399627 6.212112 5.544307 5.530504 6.379443 6.580441 4.474090 6.464943 6.400275 6.685181 5.749609 5.009036 5.878179 3.631402 5.947625 3.382761 5.797104 4.657917 1.387974 2.428714 0.000000 3.723147 5.459386 6.073267 4.942654 6.842339 3.685209 7.090603 4.265368 3.766891 5.097120 5.142371 3.949016 4.190538 5.644348 4.174435 5.859110 5.412329 6.448625 4.254369 6.432427 4.318436 6.491605 5.546067 2.398545 1.392725 2.797222 0.000000 6.042156 7.723825 6.358898 5.788983 7.590101 3.673811 6.749903 5.118363 5.270192 6.221366 5.888140 4.103363 6.067558 6.535062 6.379783 6.385048 5.903799 6.465913 4.583275 6.988518 4.578207 6.988267 5.910949 2.396222 2.793386 1.396412 2.416499 0.000000 5.031270 6.433435 6.792515 5.567475 7.315377 4.173589 7.165436 4.461800 4.424678 5.597406 5.120613 3.820969 4.971392 6.174911 5.206104 6.432539 6.077947 6.728888 4.842960 7.199329 4.956437 7.287290 6.283204 2.768762 2.417803 2.421158 1.396274 1.394596 0.000000 2.746493 4.454490 6.529240 2.405378 3.979356 4.780357 5.434067 2.189418 1.082019 2.207878 3.512996 2.686949 2.166556 2.765809 2.710386 3.730601 3.975428 4.573170 3.568067 5.119752 4.448657 5.790169 5.489460 4.047784 3.180839 4.728066 3.101062 4.674076 3.934891 0.000000 4.898225 5.139390 9.138623 3.260946 2.611480 7.633077 5.661079 2.219007 2.250045 1.082694 2.672257 3.517888 2.772872 2.132241 3.916825 4.518562 5.616204 5.007171 5.825337 6.702469 7.033684 7.796740 7.919398 6.981429 6.264433 7.424520 5.981676 7.190058 6.481373 3.110754 0.000000 6.568150 6.508215 10.277576 4.914481 4.567625 8.152433 6.115740 2.147349 3.501641 3.071385 1.093651 2.737436 4.108902 4.091733 5.419709 6.075033 7.044648 5.941296 6.793550 8.378291 7.941275 9.347292 9.138396 7.158458 6.671695 7.022463 5.942119 6.339022 5.757141 4.323064 3.080970 0.000000 5.661571 5.421119 9.887570 5.245500 5.546826 7.593539 7.002886 2.150324 3.073348 3.466475 1.094442 2.807112 3.319703 4.736070 4.463880 6.552110 7.214098 6.670221 6.691951 8.543676 7.626860 9.311928 8.892206 6.423832 5.743633 6.300351 4.755178 5.416131 4.558387 3.828407 3.664688 1.770171 0.000000 5.519769 4.938275 10.316589 4.969679 4.719586 8.324183 7.031153 2.186425 2.821484 2.708467 1.090800 3.489306 2.821740 4.102556 4.093989 6.324552 7.225658 6.586905 7.021136 8.466744 8.095459 9.398036 9.215925 7.324054 6.527948 7.457575 5.748349 6.786849 5.895827 3.861944 2.392467 1.765474 1.771966 0.000000 6.371263 7.393451 8.298234 3.547384 3.906785 6.191966 3.974652 2.154265 3.461413 3.080662 2.798189 1.094156 4.735521 3.309008 5.871284 4.358395 5.142893 3.926188 4.777091 6.522142 5.936493 7.418563 7.153834 5.375367 5.321306 5.129310 4.977148 4.782188 4.696684 3.661687 3.795605 2.558668 3.204622 3.779086 0.000000 5.063153 6.670324 6.617024 2.451129 3.822244 4.536329 3.775891 2.181841 2.726517 2.848426 3.485756 1.087808 4.133285 2.866538 4.991945 3.312829 3.718733 3.328582 3.143966 5.106035 4.253621 5.861746 5.496692 3.787029 3.708753 3.850287 3.660726 3.812919 3.715256 2.407623 3.875232 3.760836 3.787704 4.342607 1.769565 0.000000 5.529919 6.541258 7.861111 4.058157 5.071890 5.449327 5.226373 2.142935 3.088075 3.528988 2.746226 1.093312 4.140055 4.139175 5.088726 5.059867 5.432105 4.979537 4.669963 6.805412 5.546269 7.443219 6.891047 4.340674 4.117864 4.018806 3.464613 3.354228 3.025819 3.130188 4.339987 3.027560 2.577970 3.774833 1.771267 1.763575 0.000000 3.699588 2.797376 9.510180 4.864412 5.189700 7.735480 7.739959 2.849011 2.202157 2.919335 2.747955 4.256594 1.083903 4.320126 2.058026 6.301214 6.911022 7.011298 6.670696 7.985759 7.535811 8.749235 8.530965 6.795949 5.695135 7.265580 4.988529 6.722394 5.590419 3.112565 2.750506 3.759117 2.992978 2.172417 4.976187 4.740950 4.480769 0.000000 6.010338 8.061829 6.120777 2.090990 2.624398 5.799325 3.146132 5.090914 4.802699 4.084197 6.452893 5.030454 5.956785 2.681683 6.452411 1.091758 2.164464 2.088953 3.398851 2.650982 4.559243 4.035640 4.785419 6.070075 6.048893 6.797851 6.760230 7.444360 7.425344 4.388715 4.700143 6.647949 7.238307 6.769859 5.185934 4.289310 5.997149 6.676692 0.000000 4.900715 7.272964 4.495757 2.520235 4.610845 2.684921 3.785753 4.027698 3.856839 4.190519 5.468334 3.213452 5.134648 3.702828 5.544853 2.685616 2.152423 3.089786 1.079866 3.399394 2.134997 3.867072 3.370860 2.505559 2.841323 3.073966 3.601099 3.794614 4.018224 2.976478 5.264714 5.862102 5.720274 6.193849 3.809870 2.139836 3.601553 6.022723 3.727785 0.000000 6.662996 9.203979 4.516533 3.907557 5.046029 5.263344 4.517807 6.994024 6.453261 6.155799 8.466665 6.735798 7.495454 4.912588 7.641847 2.751110 2.154920 3.626384 3.404685 1.082976 3.888548 2.154006 3.380705 6.062841 6.273878 6.988354 7.365187 7.987646 8.154266 5.724499 6.872206 8.778999 9.099272 8.837456 7.040178 5.773997 7.515896 8.392890 2.430232 4.296771 0.000000 7.119786 9.968571 2.590073 5.614522 7.258602 4.508980 6.292963 8.419728 7.719285 7.856559 9.935181 7.997355 8.636413 6.849518 8.494519 4.697666 3.399504 5.510976 3.869760 2.169079 3.399289 1.082956 2.130355 5.712421 6.119407 6.747796 7.450341 7.977196 8.284241 6.770603 8.698156 10.380829 10.357070 10.385226 8.477395 6.936684 8.523879 9.659263 4.748165 4.949590 2.505755 0.000000 2.999738 5.646550 4.336208 4.405785 6.567708 2.638932 6.827539 5.066358 4.130360 5.297029 6.289812 4.877688 4.610095 5.426393 4.260762 5.027212 4.205691 5.966229 3.199391 4.883554 2.936896 4.735801 3.845896 2.144487 1.082874 3.400598 2.164619 3.876012 3.408050 3.127599 6.215493 7.102236 6.222712 6.752049 5.879622 4.193474 4.834718 5.642603 5.769027 3.113897 5.815071 5.586861 0.000000 7.006277 9.205447 5.008236 5.943345 7.873225 2.610664 6.165418 6.301180 6.403895 7.100582 7.347561 5.085466 7.434381 6.960641 7.702760 6.039837 5.233442 5.980199 3.909657 6.075735 3.559113 5.846334 4.705220 2.142295 3.402170 1.083231 3.880182 2.169267 3.411448 5.599315 8.162152 7.674363 7.108059 8.275987 5.570627 4.412995 4.684918 8.228182 7.089642 3.483516 7.109786 6.745508 4.280624 0.000000 3.053759 4.447559 6.742845 5.157978 6.909800 4.560918 7.673901 4.179174 3.460671 4.938578 4.903705 4.245224 3.509929 5.694412 3.320253 6.238588 5.919518 6.956973 4.914025 6.914795 5.060169 7.041327 6.199050 3.381363 2.145708 3.880915 1.083724 3.399983 2.155772 2.971381 5.690780 5.831294 4.488572 5.331512 5.320085 4.121934 3.815384 4.268315 7.041583 4.298890 7.773971 7.968750 2.492516 4.963806 0.000000 7.043142 8.536961 7.195979 6.540016 8.182853 4.544633 7.107750 5.631509 6.012399 6.858264 6.220162 4.499325 6.824506 7.192835 7.240668 7.098431 6.703952 6.986635 5.415265 7.816564 5.451591 7.841849 6.772539 3.378552 3.877238 2.148072 3.400123 1.083857 2.153970 5.530824 7.791648 6.533692 5.667004 7.182761 4.993327 4.361649 3.636977 7.371737 8.178258 4.586258 8.800245 8.829715 4.959823 2.496419 4.297854 0.000000 5.448112 6.352917 7.870373 6.187092 7.723138 5.257227 7.796778 4.527614 4.641693 5.821567 4.860850 4.030188 5.002445 6.600749 5.312055 7.173370 6.974916 7.414208 5.803200 8.149741 6.011644 8.312312 7.345161 3.852388 3.398675 3.402362 2.153225 2.152390 1.083657 4.387903 6.591087 5.489393 4.106776 5.608407 4.844349 4.207148 3.079200 5.433178 8.146514 4.912812 9.067828 9.319644 4.305408 4.309235 2.483379 2.482192 0.000000 C22H18Cl2FNO3 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 0 416.1447031999997 AuxInfo=1/0/N:8;9;10;11;12;13;14;15;16;17;18;19;20;21;22;23;24;25;26;27;28;29;1;2;3;7;4;5;6;30;31;32;33;34;35;36;37;38;39;40;41;42;43;44;45;46;47/rA:47nCl0Cl0F0O0O0O0N0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:2.0255,-1.6367,-1.9945;4.9514,-1.5283,-1.896;-4.642,-2.2138,-1.5303;-.2825,1.9813,-.4516;.5677,4.0682,-.508;-2.8769,-2.1539,.5004;-2.5028,3.8218,1.3616;2.1479,1.496,1.4248;2.1682,.7228,.1277;1.9932,2.2484,.0937;3.4372,1.7579,2.1787;.9542,1.3071,2.3407;3.3962,.1337,-.4283;.7236,2.876,-.3169;3.4389,-.8667,-1.3058;-1.6212,2.4598,-.7044;-2.4768,1.2302,-.9318;-2.0977,3.2335,.4551;-2.3092,.1437,-.0731;-3.3868,1.1705,-1.983;-3.0193,-1.0297,-.2812;-4.1354,.0071,-2.1742;-3.9384,-1.0702,-1.3321;-1.6951,-2.254,1.2534;-.4733,-2.4064,.6046;-1.788,-2.2157,2.6378;.6869,-2.5109,1.3679;-.6194,-2.3335,3.3932;.616,-2.4755,2.7619;1.2588,.1732,-.0762;2.852,2.8424,-.1925;3.3057,2.614,2.8463;3.693,.8876,2.791;4.2794,1.974,1.5199;.7795,2.2155,2.925;.0418,1.0666,1.7993;1.1579,.4887,3.0364;4.3498,.5371,-.1078;-1.6312,3.1151,-1.5776;-1.6029,.1971,.7421;-3.5106,2.0121,-2.6534;-4.8512,-.0792,-2.9822;-.4406,-2.4216,-.4777;-2.7555,-2.0859,3.1073;1.6452,-2.6159,.8729;-.6782,-2.3018,4.475;1.5214,-2.5526,3.3524; 0.1692205 0.1139286 0.0974891 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= 1309 RedAO= T EigKep= 1.05D-06 NBF= 1309 NBsUse= 1303 1.00D-06 EigRej= 8.41D-07 NBFU= 1303 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= 1458 1458 1458 1458 1458 MxSgAt= 47 MxSgA2= 47. 1 Closed 1 1 1 -2150.22941103072 -2150.31827307450 -0.088862043783 -2150.31801894340 0.000254131101 -2150.31884267901 -0.000823735608 -2150.31889891310 -0.000056234090 -2150.31890356313 -0.000004650033 -2150.31890473853 -0.000001175395 -2150.31890482987 -0.000000091344 -2150.31890484707 -0.000000017201 -2150.31890484797 -0.000000000899 -2150.31890484758 0.000000000391 -2150.31890484766 -0.000000000079 -2150.31890485 12 2.142603525823e+03 -1.127788743689e+04 3.873191059020e+03 Using DIIS extrapolation, IDIIS= 1040. NGot= 1415577600 LenX= 1411153882 LenY= 1408953110 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. PT61705.500S 2024-09-22T21:46:45.000 -101.57177 -101.57079 -24.70499 -19.19203 -19.17954 -19.13185 -14.33396 -10.32308 -10.29080 -10.28654 -10.27009 -10.25652 -10.24111 -10.23431 -10.20811 -10.20707 -10.19998 -10.19860 -10.19822 -10.19134 -10.18987 -10.18977 -10.18066 -10.18049 -10.17999 -10.17998 -10.17601 -10.15917 -10.15653 -9.48636 -9.48508 -7.25037 -7.24920 -7.24148 -7.24117 -7.24013 -7.23994 -1.23965 -1.13068 -1.09180 -1.04187 -0.93174 -0.92061 -0.89401 -0.88530 -0.86362 -0.84149 -0.81857 -0.77707 -0.77261 -0.75749 -0.75514 -0.74112 -0.72754 -0.69281 -0.67276 -0.65687 -0.63179 -0.62120 -0.61699 -0.60091 -0.58170 -0.56665 -0.55629 -0.55408 -0.54512 -0.51765 -0.51067 -0.50634 -0.50127 -0.49153 -0.48867 -0.48422 -0.47560 -0.47303 -0.45822 -0.45447 -0.45220 -0.44112 -0.43794 -0.43300 -0.42924 -0.42089 -0.41534 -0.41119 -0.41008 -0.40346 -0.39889 -0.39210 -0.39087 -0.38501 -0.37973 -0.37568 -0.37323 -0.36946 -0.36352 -0.35859 -0.35303 -0.35076 -0.34419 -0.34110 -0.33876 -0.33722 -0.33334 -0.32181 -0.30874 -0.28891 -0.27337 -0.26474 -0.26204 -0.24677 -0.24236 -0.04306 -0.03667 -0.02855 -0.02296 -0.02098 -0.01632 -0.01149 -0.00045 0.00019 0.00793 0.00955 0.01441 0.01634 0.02011 0.02503 0.02887 0.03323 0.03502 0.03722 0.04110 0.04504 0.05129 0.05204 0.05580 0.06041 0.06394 0.06649 0.06977 0.07064 0.07702 0.08040 0.08207 0.08600 0.08852 0.09015 0.09389 0.09623 0.09704 0.10076 0.10320 0.10560 0.10770 0.11129 0.11263 0.11606 0.11758 0.12174 0.12261 0.12470 0.12616 0.12935 0.13296 0.13436 0.13663 0.14014 0.14094 0.14255 0.14773 0.15021 0.15298 0.15427 0.15650 0.15893 0.16230 0.16318 0.16523 0.16867 0.17230 0.17446 0.17778 0.17911 0.18095 0.18173 0.18631 0.18826 0.18884 0.19112 0.19299 0.19669 0.20023 0.20239 0.20508 0.20673 0.20785 0.20980 0.21339 0.21484 0.21798 0.21863 0.21980 0.22059 0.22484 0.22545 0.22740 0.22786 0.22963 0.23266 0.23579 0.23681 0.23760 0.24086 0.24370 0.24603 0.24863 0.24980 0.25167 0.25231 0.25468 0.25567 0.25834 0.26373 0.26432 0.26756 0.27062 0.27243 0.27384 0.27672 0.27864 0.27932 0.28409 0.28690 0.28779 0.29220 0.29423 0.29784 0.29948 0.30174 0.30583 0.30811 0.30874 0.31319 0.31503 0.31690 0.31971 0.32082 0.32274 0.32788 0.32949 0.33203 0.33469 0.33862 0.33919 0.34384 0.34560 0.34735 0.34910 0.35277 0.35487 0.35705 0.36057 0.36552 0.36732 0.36771 0.37085 0.37651 0.37763 0.38007 0.38170 0.38447 0.38574 0.38872 0.39042 0.39189 0.39473 0.40120 0.40339 0.40540 0.41048 0.41694 0.41891 0.42009 0.42267 0.42782 0.43090 0.43538 0.43619 0.44140 0.44322 0.44669 0.45068 0.45463 0.45655 0.46312 0.46580 0.46756 0.47249 0.47567 0.47720 0.48032 0.48492 0.48810 0.49264 0.49351 0.49508 0.49942 0.50144 0.50480 0.50720 0.51008 0.51526 0.51907 0.52033 0.52383 0.53028 0.53243 0.53738 0.54166 0.54285 0.54434 0.54483 0.55331 0.55621 0.55869 0.56259 0.56556 0.56640 0.56668 0.57068 0.57354 0.57674 0.57942 0.58149 0.58521 0.58749 0.58849 0.59188 0.59627 0.59788 0.60193 0.60386 0.60534 0.60857 0.61246 0.61773 0.61912 0.62118 0.62315 0.62379 0.62659 0.62752 0.63328 0.63571 0.63945 0.64185 0.64506 0.64643 0.65078 0.65356 0.65840 0.66225 0.66523 0.66945 0.67092 0.67599 0.67912 0.67941 0.68313 0.68968 0.69077 0.69365 0.69961 0.70303 0.70721 0.71031 0.71118 0.71630 0.71974 0.72746 0.72903 0.73200 0.73368 0.73797 0.74129 0.74650 0.75060 0.75316 0.75404 0.75854 0.76300 0.76385 0.76673 0.77067 0.77710 0.77905 0.78351 0.78925 0.79492 0.80180 0.80345 0.80581 0.80936 0.81390 0.82023 0.82250 0.82307 0.82711 0.83067 0.83450 0.83939 0.84706 0.84985 0.85287 0.85849 0.86159 0.86781 0.87060 0.87373 0.87878 0.88551 0.89232 0.89433 0.90416 0.90563 0.90868 0.91557 0.92121 0.92543 0.92583 0.92993 0.93690 0.93936 0.94234 0.94680 0.95393 0.95789 0.96786 0.97147 0.97569 0.98060 0.98942 0.99374 0.99628 0.99936 1.00604 1.00844 1.01397 1.01676 1.02567 1.02629 1.03257 1.03460 1.05042 1.05628 1.06137 1.06299 1.06680 1.07367 1.07770 1.08232 1.08377 1.08795 1.09361 1.09607 1.10011 1.11031 1.11446 1.11615 1.12106 1.12890 1.13275 1.13366 1.13588 1.13607 1.14085 1.14274 1.15169 1.15454 1.15799 1.15932 1.16249 1.16846 1.16929 1.17877 1.18207 1.18503 1.18844 1.19353 1.19667 1.19839 1.20339 1.20652 1.21068 1.21172 1.21509 1.22106 1.22508 1.22855 1.23315 1.23694 1.23758 1.24277 1.24493 1.24595 1.25425 1.25653 1.25827 1.26281 1.26564 1.27022 1.27484 1.27575 1.28040 1.28153 1.28431 1.28942 1.29212 1.30190 1.30631 1.30915 1.31002 1.31440 1.31577 1.31869 1.32393 1.32481 1.32835 1.33283 1.33704 1.34181 1.34830 1.35029 1.35185 1.35885 1.36151 1.36232 1.36711 1.37048 1.37754 1.37845 1.38184 1.38711 1.39179 1.39237 1.39620 1.39816 1.40192 1.40961 1.41137 1.41364 1.42111 1.42592 1.42808 1.43097 1.43537 1.44104 1.44235 1.44402 1.44579 1.44869 1.45406 1.45798 1.46595 1.46699 1.47110 1.47628 1.48048 1.48168 1.48603 1.49008 1.49193 1.49989 1.50321 1.50817 1.51332 1.51521 1.52060 1.52431 1.53334 1.53506 1.53806 1.54092 1.54770 1.55171 1.55762 1.56032 1.56435 1.56905 1.57347 1.58051 1.58491 1.58635 1.59039 1.60334 1.60846 1.60934 1.60987 1.61930 1.62452 1.63381 1.64006 1.64268 1.64886 1.65459 1.65604 1.66306 1.66505 1.67277 1.67921 1.68105 1.69026 1.69674 1.70394 1.70722 1.71485 1.72311 1.72431 1.73755 1.74157 1.74709 1.74941 1.75790 1.76439 1.76843 1.78052 1.78828 1.79398 1.79877 1.80790 1.82051 1.82818 1.83404 1.84070 1.84607 1.85480 1.86184 1.86454 1.87476 1.87588 1.88466 1.89096 1.89623 1.89793 1.91661 1.92109 1.92449 1.92830 1.93759 1.93917 1.94868 1.95260 1.95672 1.97019 1.97233 1.98117 1.98333 1.99138 1.99359 2.00145 2.01010 2.01963 2.03308 2.03581 2.03914 2.04761 2.05595 2.05854 2.06579 2.07226 2.07440 2.07757 2.08210 2.08978 2.09352 2.10083 2.10497 2.11528 2.12361 2.13043 2.13176 2.13889 2.14171 2.14863 2.15025 2.16265 2.16975 2.17499 2.18487 2.18953 2.19881 2.20428 2.20544 2.21303 2.21526 2.22431 2.23009 2.24194 2.25220 2.26176 2.27492 2.28047 2.28373 2.29479 2.30611 2.31514 2.32279 2.33585 2.35553 2.35835 2.36503 2.37397 2.37561 2.37975 2.39345 2.39567 2.40552 2.40897 2.41476 2.41564 2.42673 2.43058 2.43903 2.44382 2.44779 2.46357 2.47091 2.48284 2.49097 2.49418 2.50075 2.50917 2.51921 2.52746 2.54141 2.54676 2.56513 2.56815 2.58128 2.58726 2.59165 2.61027 2.62039 2.63519 2.64084 2.65054 2.65971 2.67455 2.69405 2.70561 2.70827 2.72128 2.73867 2.75189 2.75795 2.76896 2.78024 2.78967 2.79411 2.79789 2.80890 2.81119 2.81825 2.82367 2.82554 2.83393 2.84026 2.84561 2.85119 2.85982 2.86206 2.87381 2.87776 2.88669 2.88909 2.89373 2.89845 2.90496 2.90934 2.91420 2.91784 2.92072 2.92353 2.93235 2.93900 2.94684 2.95720 2.95806 2.96270 2.96828 2.97242 2.97558 2.98079 2.99245 2.99738 3.00274 3.01150 3.01551 3.01837 3.02804 3.02948 3.03134 3.04316 3.04894 3.04994 3.06198 3.07050 3.07249 3.07959 3.08275 3.08620 3.09787 3.10268 3.11363 3.11939 3.12347 3.12627 3.13224 3.13732 3.14695 3.15202 3.16572 3.16885 3.17440 3.17822 3.18933 3.19732 3.20049 3.21293 3.21704 3.21823 3.23128 3.23262 3.23753 3.24647 3.25136 3.25553 3.26849 3.27413 3.27940 3.28323 3.28840 3.29355 3.29611 3.30311 3.30667 3.31261 3.31944 3.32365 3.32914 3.33243 3.33821 3.34207 3.34551 3.35568 3.36446 3.37485 3.37809 3.38680 3.39372 3.40125 3.41307 3.41661 3.42240 3.42537 3.42846 3.44399 3.44588 3.45530 3.45975 3.46317 3.46770 3.47477 3.48636 3.48970 3.49343 3.50872 3.51082 3.52213 3.52531 3.54319 3.54559 3.55261 3.56025 3.56939 3.57595 3.58169 3.59025 3.59262 3.60148 3.60454 3.60883 3.61756 3.62491 3.62793 3.64325 3.64584 3.65171 3.66072 3.66313 3.66494 3.68198 3.68862 3.69207 3.70148 3.70213 3.71044 3.71947 3.72470 3.73289 3.74147 3.74867 3.75039 3.76323 3.77860 3.78393 3.78918 3.79657 3.80504 3.80928 3.81817 3.82396 3.83430 3.83998 3.85707 3.86356 3.86868 3.87844 3.88663 3.89887 3.90903 3.92248 3.92947 3.94514 3.96219 3.97541 3.99294 4.00129 4.01180 4.02449 4.03243 4.03795 4.04756 4.07284 4.08662 4.09098 4.11416 4.13133 4.14159 4.16330 4.18933 4.19401 4.19894 4.20471 4.20976 4.21475 4.22574 4.23364 4.24242 4.24740 4.26021 4.27256 4.27825 4.28693 4.30183 4.30900 4.31878 4.32444 4.33102 4.33832 4.34419 4.35184 4.35670 4.35939 4.36422 4.37930 4.38009 4.38413 4.39063 4.39427 4.40200 4.40497 4.41100 4.41926 4.43029 4.43780 4.44459 4.45376 4.45845 4.46422 4.47584 4.48765 4.49038 4.49376 4.49760 4.50359 4.51368 4.51782 4.52475 4.52899 4.54402 4.55208 4.55783 4.56119 4.56521 4.57550 4.58887 4.59232 4.60594 4.61397 4.61998 4.62365 4.63186 4.63446 4.65127 4.66510 4.68366 4.69624 4.70590 4.71812 4.72913 4.73465 4.74718 4.75124 4.75808 4.77064 4.77473 4.78470 4.80360 4.82269 4.83786 4.83987 4.84899 4.87133 4.89523 4.90730 4.91852 4.95071 4.95608 4.97125 4.99274 5.00174 5.03225 5.04155 5.07746 5.09367 5.14356 5.15040 5.17295 5.17908 5.18330 5.19812 5.20933 5.23567 5.25027 5.25129 5.26052 5.26966 5.27416 5.28526 5.29780 5.33151 5.34287 5.35048 5.37165 5.38248 5.40723 5.45024 5.45760 5.46913 5.48577 5.53534 5.53800 5.55157 5.56728 5.59185 5.59594 5.61258 5.62297 5.65758 5.67114 5.67683 5.69734 5.71356 5.73798 5.76871 5.77122 5.77563 5.80940 5.81844 5.82955 5.83678 5.86004 5.86336 5.88780 5.90959 5.91281 5.92433 5.93756 5.95366 5.96822 5.98456 5.99326 5.99850 6.01287 6.02002 6.08244 6.14167 6.21357 6.25561 6.26709 6.33215 6.43751 6.46888 6.50539 6.55481 6.59974 6.62213 6.65511 6.67102 6.71495 6.74209 6.75012 6.78462 6.88504 6.91148 6.92407 6.92925 7.09023 7.09774 7.10180 7.10846 7.11399 7.12373 7.13862 7.16128 7.16501 7.17766 7.18220 7.19730 7.21394 7.22366 7.23350 7.25096 7.26322 7.26969 7.27996 7.28476 7.29493 7.30895 7.31615 7.31934 7.32123 7.32748 7.33366 7.34801 7.35824 7.37297 7.37570 7.38637 7.39930 7.40672 7.42896 7.44230 7.44856 7.46266 7.46450 7.47879 7.48270 7.48766 7.49607 7.50782 7.51496 7.53802 7.56646 7.57267 7.58658 7.60531 7.61806 7.62442 7.63191 7.64034 7.65691 7.66882 7.68131 7.69974 7.70917 7.71285 7.72408 7.73716 7.75700 7.79452 7.82330 7.84136 7.86096 7.86504 7.90292 7.91477 7.91743 7.95035 7.95518 7.96061 7.97158 7.97471 7.97651 8.01484 8.02190 8.02634 8.06622 8.06788 8.11003 8.12807 8.13745 8.17516 8.18568 8.19530 8.23080 8.24229 8.28440 8.28748 8.29535 8.30232 8.33570 8.34624 8.35251 8.42758 8.45420 8.46882 8.47401 8.51671 8.54004 8.57916 8.61962 8.67440 8.72398 8.74802 8.84283 8.98262 9.04391 9.38356 9.39401 10.01727 10.08701 10.20719 10.21102 10.88554 10.89334 11.19336 14.40150 14.44267 14.46502 14.47672 14.50769 14.51740 14.58771 14.62718 14.68004 14.80740 14.97953 15.02181 15.11242 15.12594 15.24161 19.32920 19.35530 19.38672 19.48768 19.74138 23.97879 24.07976 24.11389 24.34998 24.46984 24.58166 24.60837 24.65684 24.77017 24.96606 24.97700 24.98210 25.00151 25.13283 25.25014 25.38184 25.39930 25.40403 25.43343 25.71451 25.80848 25.81459 25.96559 26.18834 26.58440 26.82894 27.79173 28.29335 37.00933 50.26574 50.29546 50.48505 67.03217 216.03610 216.12167 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 F 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 -0.409093 -0.376991 -0.561262 -0.318668 -0.818715 -0.867531 -1.200041 -0.103226 0.899715 -0.564208 -0.425040 -0.602903 0.461047 0.806228 -0.431171 0.579121 0.652240 0.741992 -0.435132 -0.506592 0.565362 -0.205399 0.134396 0.214145 -0.015369 -0.349046 0.207355 -0.132718 -0.327239 0.278064 0.153596 0.155413 0.161255 0.166579 0.163185 0.271443 0.182519 0.178266 0.186144 0.315042 0.166892 0.170810 0.180493 0.164613 0.183413 0.158631 0.152384 -0.00000 3.8098 -1.5567 0.3710 4.1323 -183.5711 -224.9760 -171.0453 2.8063 22.4144 -16.4154 9.6263 -31.7785 22.1522 2.8063 22.4144 -16.4154 63.5172 -145.5763 0.5302 62.2638 49.8771 -18.9446 -29.0618 -15.9236 -45.2816 48.9865 -8249.2882 -5841.3268 -2912.8148 74.2290 239.5185 114.4712 -67.6392 124.7023 -108.4115 -2387.5003 -1785.0846 -1350.8883 -174.9318 162.8220 48.2980 (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A) (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(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-HAMILTON24 ALCAMI 2024-09-22T00:00:00.000 0 Single Point Cyfluthrin CONF49 water 0 1 Version=EM64L-G16RevC.01 State=1-A HF=-2150.3189048 RMSD=3.843e-09 Dipole=-1.5719,-0.1142415,0.398951 Quadrupole=16.7791684,-18.1287507,1.3495823,-6.0441538,19.9425504,11.4501198 PG=C01 [X(C22H18Cl2F1N1O3)] 0 -1.6581727481 -0.7009968374 2.7035025323 0 -4.3037339684 0.3225203701 3.4354902678 0 4.0539157368 -3.3965994702 0.4429148507 0 0.9275667055 1.8728230087 -0.0326773243 0 0.7571946329 4.1198012908 -0.0904100173 0 1.8126276109 -2.9304555742 -0.9719412967 0 2.8522773611 2.7739995491 -2.6950015977 0 -2.0158458607 2.0461802063 -1.017421802 0 -1.8251455881 1.4177451715 0.3425063119 0 -1.2324599468 2.8070091333 0.0638908451 0 -3.3541769236 2.6469474492 -1.4008225472 0 -1.2888794321 1.4209076195 -2.19221181 0 -2.9165359623 1.2916230166 1.3207852818 0 0.2229573495 3.0279865723 -0.0221663714 0 -2.9462651306 0.4244058013 2.3306136692 0 2.35240763 1.9192005164 -0.2618459165 0 2.8583691826 0.5020786145 -0.0844546872 0 2.6190381251 2.4135116471 -1.6237734378 0 2.1248194731 -0.5355479296 -0.6599471973 0 4.0072595613 0.2348496843 0.6539586181 0 2.5085816036 -1.8548387002 -0.4683012544 0 4.4230512121 -1.0884450823 0.8168599327 0 3.6710032602 -2.1068829053 0.2638432295 0 0.4711607639 -2.7058985707 -1.3238475832 0 -0.4630861179 -2.4142213663 -0.3342952757 0 0.1135320891 -2.8017057398 -2.6615297458 0 -1.7896076393 -2.2014418124 -0.7013777397 0 -1.221622002 -2.5982658132 -3.0164135192 0 -2.1710665363 -2.2937647195 -2.0413583382 0 -1.0895227355 0.6246122043 0.3662768839 0 -1.7499091989 3.6623453737 0.4796691271 0 -3.2157812266 3.3651641186 -2.2138937299 0 -4.0268637475 1.8599441287 -1.7556755697 0 -3.8398852144 3.1673315779 -0.5743038303 0 -1.0697336987 2.1810218983 -2.9481079389 0 -0.354520097 0.9442020062 -1.9040271089 0 -1.9273771245 0.6602798985 -2.6494829749 0 -3.7708084953 1.9518303647 1.2249133381 0 2.8285416777 2.6002634 0.4462401853 0 1.2353215632 -0.3214206827 -1.2335796659 0 4.5716521129 1.0408365437 1.1063771412 0 5.3097710496 -1.3372862973 1.3865962565 0 -0.143371313 -2.3379832185 0.6974922323 0 0.8703152606 -3.0208437081 -3.4049322167 0 -2.5229242838 -1.9599843789 0.0591506976 0 -1.5130437013 -2.6671479451 -4.0580827212 0 -3.2033046996 -2.1231180795 -2.323629891