Gaussian 16 GINC-BELVIS18 APULGAR Optimization fluindapyr CONF45 water EM64L-G16RevC.01 25-Oct-2022 Gaussian 16 3-Jul-2019 EM64L-G16RevC.01 45 45 92 92 670 (5D, 7F) 6-311+G(d,p) 129 129 C1[X(C18H20F3N3O)] C1[X(C18H20F3N3O)] RB3LYP 6-311+G(d,p) FOpt #P B3LYP 6-311+G(d,p) EmpiricalDispersion=gd3 scrf=(smd,Solvent=Water) opt freq 331.20730959999975 0 1 AuxInfo=1/0/N:8;9;10;11;12;13;14;15;16;17;18;19;20;21;22;23;24;25;1;2;3;5;6;7;4;26;27;28;29;30;31;32;33;34;35;36;37;38;39;40;41;42;43;44;45/rA:45nF0F0F0O0N0N0N0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:3.7912,2.0304,1.4172;-2.4238,-2.4093,-1.3197;-4.3702,-1.4645,-1.0298;-2.5263,.4471,-2.4636;-.4661,1.2142,-1.9955;-1.8691,.3421,1.9697;-2.5667,-.7339,1.6291;2.8357,-.7815,.9374;2.2937,-1.8076,-.0726;1.0562,-1.1845,-.7349;2.381,.5114,.2962;1.3328,.2955,-.5988;2.129,-.924,2.2904;4.3426,-.9323,1.1147;.8587,-1.7015,-2.1544;.6758,1.3779,-1.1781;2.7958,1.8034,.5426;1.1425,2.6672,-.9361;2.213,2.8879,-.0861;-1.6478,.6617,-1.6379;-1.8498,.3391,-.215;-2.5791,-.7464,.3125;-1.4088,1.0117,.9064;-3.2496,-1.8759,-.3764;-1.6555,.6825,3.3594;2.0767,-2.7704,.3935;3.0527,-1.985,-.8416;.1648,-1.4344,-.149;2.4168,-.1249,2.9757;1.0425,-.892,2.1834;2.3872,-1.875,2.7606;4.8796,-.7094,.1914;4.7383,-.2916,1.9018;4.5772,-1.9622,1.3908;-.0605,-1.3526,-2.6189;.8181,-2.7917,-2.1454;1.6917,-1.4076,-2.7949;.647,3.5105,-1.399;2.5681,3.8911,.109;-.403,1.527,-2.9554;-.8336,1.9162,1.0189;-3.5302,-2.6622,.3248;-1.9334,-.1683,3.9724;-.6068,.9135,3.5301;-2.2597,1.5414,3.6436; g16 /usr/local/gaussian/gaussian16/g16/l1.exe "/temporal/apulgar/opt-b3lyp-pople.com-4292815/Gau-10762.inp" -scrdir="/temporal/apulgar/opt-b3lyp-pople.com-4292815/" chk=/home/apulgar/almacen/pesticidas/gaussian_results/C2/fluindapyr/water/CONF4 #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 fluindapyr CONF45 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 19 19 19 16 14 14 14 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 18.9984033 18.9984033 18.9984033 15.9949146 14.0030740 14.0030740 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 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1 1 1 0 2 2 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 (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 1 2 3 4 5 5 5 6 6 6 7 8 8 8 8 9 9 9 10 10 10 11 11 12 13 13 13 14 14 14 15 15 15 16 17 18 18 19 20 21 21 22 23 24 25 25 25 17 24 24 20 16 20 40 7 23 25 22 9 11 13 14 10 26 27 12 15 28 12 17 16 29 30 31 32 33 34 35 36 37 18 19 19 38 39 21 22 23 24 41 42 43 44 45 1.3443 1.3625 1.3608 1.2245 1.4139 1.3526 1.0115 1.3268 1.3382 1.4467 1.3166 1.5384 1.5131 1.5331 1.5248 1.5358 1.0915 1.0949 1.5117 1.5235 1.0956 1.3951 1.3791 1.3924 1.0913 1.0922 1.0918 1.0911 1.0893 1.0918 1.0874 1.091 1.0912 1.3924 1.3825 1.3847 1.0821 1.0819 1.4729 1.4101 1.38 1.4833 1.0778 1.0903 1.0848 1.0873 1.0879 estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|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 A81 A82 A83 A84 A85 16 16 20 7 7 23 6 9 9 9 11 11 13 8 8 8 10 10 26 9 9 9 12 12 15 8 8 12 10 10 11 8 8 8 29 29 30 8 8 8 32 32 33 10 10 10 35 35 36 5 5 12 1 1 11 16 16 19 17 17 18 4 4 5 20 20 22 7 7 21 6 6 21 2 2 2 3 3 22 6 6 6 43 43 44 5 5 5 6 6 6 7 8 8 8 8 8 8 9 9 9 9 9 9 10 10 10 10 10 10 11 11 11 12 12 12 13 13 13 13 13 13 14 14 14 14 14 14 15 15 15 15 15 15 16 16 16 17 17 17 18 18 18 19 19 19 20 20 20 21 21 21 22 22 22 23 23 23 24 24 24 24 24 24 25 25 25 25 25 25 20 40 40 23 25 25 22 11 13 14 13 14 14 10 26 27 26 27 27 12 15 28 15 28 28 12 17 17 11 16 16 29 30 31 30 31 31 32 33 34 33 34 34 35 36 37 36 37 37 12 18 18 11 19 19 19 38 38 18 39 39 5 21 21 22 23 23 21 24 24 21 41 41 3 22 42 22 42 42 43 44 45 44 45 45 126.8755 117.5391 115.5794 112.4978 121.0036 126.4939 105.6262 100.7122 110.7948 111.0082 108.3568 115.5164 110.1029 107.2388 112.2161 108.9632 112.4479 108.7442 107.1516 102.1788 111.6295 109.4156 116.0943 108.9058 108.3823 111.432 129.3723 119.0521 110.289 129.586 120.0715 111.3803 111.6739 110.6069 107.5991 107.7627 107.6377 111.577 112.6379 109.5767 108.2127 107.5121 107.0987 113.4941 109.6518 110.8887 107.0205 107.9482 107.6002 122.1152 118.579 119.301 119.8135 118.3915 121.7949 120.892 119.595 119.4957 118.6883 120.4672 120.8154 121.3318 120.9746 117.6902 126.9363 129.3783 103.6771 111.2172 118.4205 130.2566 106.9688 121.3683 131.6377 106.5632 110.223 108.6006 111.4085 108.3573 111.5172 108.6853 110.0683 110.7754 108.9739 109.2231 109.0855 estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2 D1 D2 D3 D4 D5 D6 D7 D8 D9 D10 D11 D12 D13 D14 D15 D16 D17 D18 D19 D20 D21 D22 D23 D24 D25 D26 D27 D28 D29 D30 D31 D32 D33 D34 D35 D36 D37 D38 D39 D40 D41 D42 D43 D44 D45 D46 D47 D48 D49 D50 D51 D52 D53 D54 D55 D56 D57 D58 D59 D60 D61 D62 D63 D64 D65 D66 D67 D68 D69 D70 D71 D72 D73 D74 D75 D76 D77 D78 D79 D80 D81 D82 D83 D84 D85 D86 D87 D88 D89 D90 D91 D92 D93 D94 D95 D96 D97 D98 D99 D100 D101 D102 D103 D104 D105 D106 D107 D108 D109 D110 D111 D112 D113 D114 D115 D116 D117 D118 D119 D120 D121 20 20 40 40 16 16 40 40 23 25 7 7 25 25 7 7 7 23 23 23 6 6 11 11 11 13 13 13 14 14 14 9 9 13 13 14 14 9 9 9 11 11 11 14 14 14 9 9 9 11 11 11 13 13 13 8 8 8 26 26 26 27 27 27 9 9 15 15 28 28 9 9 9 12 12 12 28 28 28 8 8 17 17 8 8 12 12 10 10 11 11 5 5 12 12 1 1 11 11 16 16 38 38 4 4 5 5 20 20 23 23 20 20 22 22 7 7 7 21 21 21 5 5 5 5 5 5 5 5 6 6 6 6 6 6 6 6 6 6 6 6 7 7 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 8 8 8 8 8 8 8 9 9 9 9 9 9 9 9 9 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 11 11 11 11 11 11 11 11 12 12 12 12 16 16 16 16 17 17 17 17 18 18 18 18 20 20 20 20 21 21 21 21 21 21 21 21 22 22 22 22 22 22 16 16 16 16 20 20 20 20 7 7 23 23 23 23 25 25 25 25 25 25 22 22 9 9 9 9 9 9 9 9 9 11 11 11 11 11 11 13 13 13 13 13 13 13 13 13 14 14 14 14 14 14 14 14 14 10 10 10 10 10 10 10 10 10 12 12 12 12 12 12 15 15 15 15 15 15 15 15 15 12 12 12 12 17 17 17 17 16 16 16 16 18 18 18 18 19 19 19 19 19 19 19 19 21 21 21 21 22 22 22 22 23 23 23 23 24 24 24 24 24 24 12 18 12 18 4 21 4 21 22 22 21 41 21 41 43 44 45 43 44 45 21 24 10 26 27 10 26 27 10 26 27 12 17 12 17 12 17 29 30 31 29 30 31 29 30 31 32 33 34 32 33 34 32 33 34 12 15 28 12 15 28 12 15 28 11 16 11 16 11 16 35 36 37 35 36 37 35 36 37 10 16 10 16 1 19 1 19 5 18 5 18 19 38 19 38 18 39 18 39 17 39 17 39 22 23 22 23 7 24 7 24 6 41 6 41 2 3 42 2 3 42 60.429 -118.7644 -118.6408 62.1659 -172.5284 8.1348 6.5572 -172.7796 -1.1817 179.5586 0.8588 179.2303 -179.9304 -1.559 13.1332 132.4057 -106.8694 -166.016 -46.7436 73.9813 1.0377 177.6816 -28.2418 -152.2002 89.2994 86.2582 -37.7002 -156.2006 -151.0803 84.9612 -33.5392 20.4522 -164.0191 -95.8728 79.6559 140.0949 -44.3764 -173.0446 -52.7138 67.1389 -63.4417 56.8892 176.7418 63.7697 -175.8995 -56.0469 64.2017 -173.8553 -54.75 -49.6229 72.3202 -168.5745 -172.7374 -50.7944 68.3109 25.9998 150.7249 -89.3109 149.8165 -85.4583 34.5058 -91.6842 33.0409 153.005 -13.2401 169.466 -134.9481 47.7579 102.4421 -74.8518 174.5444 54.9311 -63.7507 -68.9102 171.4765 52.7947 53.9741 -65.6392 175.679 -4.7766 172.8138 179.1765 -3.2331 3.7767 -176.0992 179.0149 -0.8611 2.8451 -177.9672 -174.2218 4.9659 176.5369 -1.9367 -2.6796 178.8468 -176.7524 1.3023 3.1252 -178.82 -1.3184 -179.3661 177.1567 -0.891 34.7836 -143.9914 -145.8771 35.3479 -179.5643 4.3041 -0.5387 -176.6704 178.808 0.6686 -0.1844 -178.3238 -129.5726 112.3446 -8.867 46.3267 -71.756 167.0324 estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|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 695 A 670 A 1060 695 2418.2529672414 45 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= 670 RedAO= T EigKep= 1.11D-06 NBF= 670 NBsUse= 667 1.00D-06 EigRej= 6.20D-07 NBFU= 667 Berny optimization. local minimum Step number 26 out of a maximum of 263 All quantities printed in internal units (Hartrees-Bohrs-Radians) 0.00060 0.00256 0.00335 0.00345 0.00430 0.00473 0.00751 0.01106 0.01194 0.01403 0.01432 0.01619 0.01653 0.01762 0.02081 0.02214 0.02277 0.02292 0.02324 0.02341 0.02382 0.02824 0.03367 0.03567 0.04030 0.04289 0.04403 0.04504 0.04879 0.05121 0.05417 0.05477 0.05501 0.05534 0.05627 0.05731 0.05764 0.06566 0.07309 0.07438 0.07748 0.07824 0.07929 0.08121 0.08323 0.10557 0.11981 0.14034 0.14725 0.15572 0.15962 0.15980 0.15987 0.15997 0.15999 0.16000 0.16002 0.16006 0.16013 0.16021 0.16026 0.16085 0.16224 0.16437 0.17388 0.17805 0.20585 0.21250 0.22556 0.22956 0.23477 0.23874 0.24228 0.24420 0.24810 0.24975 0.25203 0.25416 0.25982 0.27303 0.27648 0.29143 0.29483 0.29862 0.30009 0.30062 0.31391 0.33280 0.34087 0.34259 0.34601 0.34612 0.34619 0.34646 0.34655 0.34668 0.34683 0.34696 0.34786 0.34898 0.34932 0.35138 0.35474 0.35579 0.35725 0.35758 0.35777 0.36365 0.37621 0.38105 0.40831 0.41763 0.43056 0.44407 0.45730 0.45762 0.46863 0.47527 0.48442 0.49134 0.51242 0.51780 0.52837 0.53885 0.55175 0.57538 0.61373 0.70724 0.91093 -7.54845032e-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 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 A83 A84 A85 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 D110 D111 D112 D113 D114 D115 D116 D117 D118 D119 D120 D121 2.58537 2.61324 2.61966 2.34685 2.70037 2.56724 1.91629 2.54725 2.54423 2.75580 2.51684 2.92848 2.87600 2.91845 2.89754 2.92051 2.06417 2.07019 2.87511 2.89433 2.07025 2.65160 2.61421 2.64289 2.06670 2.06672 2.06772 2.06679 2.06309 2.06812 2.05991 2.06733 2.06796 2.64399 2.62102 2.62825 2.04759 2.04639 2.79035 2.68025 2.62594 2.81084 2.03524 2.05797 2.06013 2.05610 2.05973 2.23492 2.05008 1.99745 1.96023 2.10224 2.21848 1.83684 1.75882 1.93544 1.94696 1.89329 2.00105 1.92249 1.86801 1.95561 1.89930 1.96187 1.89645 1.88125 1.78515 1.96105 1.90547 2.02711 1.88592 1.89407 1.94750 2.26012 2.07331 1.92212 2.26933 2.09034 1.93321 1.94074 1.92075 1.88524 1.89110 1.89138 1.93715 1.94826 1.91240 1.89136 1.88668 1.88622 1.96865 1.91113 1.92861 1.87852 1.88961 1.88484 2.13262 2.06024 2.09014 2.08758 2.05910 2.13649 2.10606 2.08296 2.09383 2.06669 2.09545 2.12059 2.10081 2.11336 2.06901 2.22285 2.24841 1.81179 1.94361 2.05292 2.28550 1.87201 2.11649 2.29463 1.84462 1.93530 1.88941 1.94866 1.87952 1.96125 1.91198 1.89024 1.91454 1.91384 1.91686 1.91617 1.04009 -2.08093 -2.14554 1.01662 -3.04847 0.09280 0.13605 -3.00587 -0.02412 -3.09901 0.01865 -3.13314 3.08813 -0.06366 1.06773 -3.12867 -1.03757 -1.99647 0.09032 2.18143 0.02018 3.11579 -0.49167 -2.64982 1.55475 1.51032 -0.64783 -2.72644 -2.62303 1.50201 -0.57660 0.34778 -2.86810 -1.68568 1.38163 2.44076 -0.77512 -3.03065 -0.93416 1.16178 -1.11452 0.98197 3.07791 1.08866 -3.09804 -1.00210 1.07991 -3.09127 -1.00247 -0.90502 1.20699 -2.98740 -3.04608 -0.93407 1.15472 0.46111 2.64718 -1.53382 2.61540 -1.48171 0.62047 -1.58719 0.59887 2.70106 -0.24530 2.95443 -2.38721 0.81251 1.76394 -1.31952 3.04561 0.95426 -1.11977 -1.19086 3.00097 0.92694 0.93685 -1.15450 3.05466 -0.06831 3.02201 3.13868 -0.05419 0.05887 -3.07842 3.12164 -0.01566 0.04309 -3.11941 -3.03562 0.08507 3.07444 -0.03909 -0.04711 3.12255 -3.08401 0.02542 0.05335 -3.12040 -0.02127 -3.13022 3.09208 -0.01687 0.60967 -2.55224 -2.53160 0.58968 3.11584 0.02818 -0.00946 -3.09711 -3.13034 0.02288 -0.00537 -3.13534 -2.26652 1.96466 -0.14934 0.81837 -1.23363 2.93555 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 0.00000 -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 0.00001 -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 0.00001 -0.00001 -0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00001 0.00001 -0.00002 0.00001 -0.00001 0.00000 -0.00000 0.00001 -0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00001 -0.00000 0.00001 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00001 -0.00029 0.00011 -0.00004 -0.00022 0.00011 0.00004 0.00001 0.00020 -0.00008 -0.00002 -0.00007 0.00006 0.00006 -0.00009 -0.00005 -0.00000 0.00003 0.00005 -0.00003 -0.00007 0.00009 -0.00002 0.00004 0.00004 0.00003 0.00004 0.00004 0.00001 0.00002 -0.00002 0.00002 0.00003 0.00012 0.00005 -0.00010 0.00003 0.00002 0.00004 -0.00007 0.00004 0.00006 -0.00000 0.00001 0.00005 0.00005 -0.00002 0.00045 -0.00035 -0.00030 0.00012 0.00008 -0.00023 -0.00011 -0.00001 -0.00001 0.00002 -0.00018 0.00008 0.00009 -0.00017 -0.00003 0.00003 0.00003 0.00008 0.00006 -0.00001 0.00016 -0.00026 0.00021 0.00002 -0.00014 -0.00009 0.00000 0.00009 -0.00010 0.00016 -0.00006 -0.00012 0.00013 0.00005 -0.00011 -0.00005 0.00009 0.00004 -0.00005 0.00006 -0.00002 -0.00001 -0.00002 -0.00008 -0.00009 0.00011 -0.00005 0.00007 0.00004 0.00037 -0.00032 -0.00005 0.00012 -0.00005 -0.00007 0.00005 -0.00004 -0.00001 0.00003 -0.00006 0.00003 0.00002 -0.00002 0.00001 -0.00004 -0.00002 0.00007 0.00009 0.00053 -0.00060 -0.00018 0.00011 0.00007 0.00008 -0.00004 0.00008 -0.00049 0.00005 0.00032 0.00032 -0.00007 -0.00002 -0.00011 0.00001 -0.00013 -0.00051 -0.00095 -0.00610 -0.00654 -0.00254 -0.00236 0.00291 0.00308 -0.00011 0.00036 -0.00008 -0.00041 -0.00057 -0.00090 0.00734 0.00735 0.00714 0.00787 0.00788 0.00767 0.00026 0.00059 -0.00061 -0.00052 -0.00059 -0.00083 -0.00074 -0.00081 -0.00071 -0.00061 -0.00068 0.00032 0.00043 0.00040 0.00051 0.00038 0.00049 -0.00094 -0.00107 -0.00084 -0.00106 -0.00119 -0.00095 -0.00103 -0.00116 -0.00092 0.00065 0.00061 0.00060 0.00060 0.00057 0.00055 0.00072 0.00068 0.00067 0.00068 0.00101 0.00076 0.00054 0.00087 0.00062 0.00069 0.00102 0.00077 -0.00049 -0.00054 -0.00080 -0.00085 -0.00078 -0.00083 -0.00055 -0.00038 -0.00044 -0.00030 -0.00013 -0.00019 -0.00023 -0.00006 -0.00012 0.00011 0.00017 0.00002 0.00008 -0.00017 -0.00017 -0.00006 -0.00006 -0.00042 0.00002 -0.00049 -0.00004 0.00040 0.00034 -0.00003 -0.00009 -0.00001 -0.00004 -0.00001 -0.00004 0.00005 0.00008 0.00011 0.00014 0.00039 0.00130 0.00021 0.00112 0.00042 -0.00001 -0.00031 -0.00074 -0.00052 -0.00014 0.00022 0.00060 -0.00159 -0.00136 -0.00130 -0.00116 -0.00092 -0.00086 0.00001 0.00027 -0.00009 0.00003 0.00022 -0.00012 -0.00004 -0.00002 -0.00021 0.00008 0.00002 0.00007 -0.00007 -0.00006 0.00009 0.00006 0.00000 -0.00003 -0.00006 0.00004 0.00006 -0.00008 0.00002 -0.00004 -0.00004 -0.00003 -0.00004 -0.00004 -0.00002 -0.00002 0.00001 -0.00002 -0.00003 -0.00012 -0.00005 0.00010 -0.00003 -0.00002 -0.00003 0.00005 -0.00003 -0.00006 0.00001 -0.00001 -0.00005 -0.00004 0.00000 -0.00045 0.00034 0.00030 -0.00012 -0.00003 0.00018 0.00012 0.00003 0.00001 -0.00002 0.00017 -0.00008 -0.00009 0.00018 0.00002 -0.00003 -0.00004 -0.00007 -0.00007 0.00003 -0.00018 0.00027 -0.00025 0.00003 0.00013 0.00008 0.00001 -0.00011 0.00011 -0.00018 0.00007 0.00012 -0.00012 -0.00004 0.00010 0.00004 -0.00010 -0.00003 0.00006 -0.00005 0.00001 0.00000 0.00001 0.00008 0.00011 -0.00012 0.00004 -0.00007 -0.00004 -0.00034 0.00030 0.00004 -0.00012 0.00004 0.00008 -0.00005 0.00005 0.00000 -0.00003 0.00006 -0.00003 0.00001 0.00002 -0.00003 0.00009 -0.00003 -0.00007 -0.00010 -0.00050 0.00059 0.00017 -0.00007 -0.00010 -0.00008 0.00004 -0.00008 0.00049 -0.00006 -0.00031 -0.00030 0.00009 0.00001 0.00010 -0.00002 0.00012 0.00047 0.00092 0.00610 0.00655 0.00262 0.00239 -0.00287 -0.00310 -0.00004 -0.00035 0.00022 0.00047 0.00056 0.00080 -0.00724 -0.00724 -0.00703 -0.00760 -0.00759 -0.00739 -0.00017 -0.00047 0.00068 0.00060 0.00068 0.00089 0.00080 0.00089 0.00076 0.00068 0.00077 -0.00029 -0.00043 -0.00038 -0.00052 -0.00034 -0.00047 0.00094 0.00108 0.00084 0.00107 0.00120 0.00097 0.00103 0.00116 0.00093 -0.00082 -0.00078 -0.00077 -0.00079 -0.00075 -0.00074 -0.00088 -0.00085 -0.00083 -0.00081 -0.00120 -0.00097 -0.00068 -0.00107 -0.00084 -0.00084 -0.00123 -0.00100 0.00064 0.00066 0.00099 0.00101 0.00097 0.00099 0.00075 0.00057 0.00063 0.00048 0.00030 0.00035 0.00044 0.00026 0.00032 -0.00023 -0.00026 -0.00012 -0.00014 0.00021 0.00021 0.00008 0.00007 0.00055 0.00009 0.00057 0.00011 -0.00044 -0.00037 0.00000 0.00007 0.00003 0.00005 0.00003 0.00005 -0.00007 -0.00009 -0.00014 -0.00016 -0.00021 -0.00119 0.00002 -0.00096 -0.00049 -0.00009 0.00030 0.00069 0.00050 0.00022 -0.00030 -0.00058 0.00144 0.00120 0.00115 0.00103 0.00079 0.00074 0.00002 -0.00001 0.00001 -0.00001 -0.00000 -0.00001 -0.00000 -0.00002 -0.00001 -0.00000 0.00001 -0.00001 -0.00000 0.00001 -0.00000 0.00001 0.00000 -0.00001 -0.00001 0.00001 -0.00001 0.00001 -0.00001 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00001 0.00000 -0.00000 -0.00000 0.00001 -0.00002 0.00000 -0.00000 0.00001 0.00000 0.00000 0.00001 -0.00001 0.00001 -0.00001 0.00000 -0.00000 0.00005 -0.00005 0.00001 0.00002 0.00001 0.00000 -0.00002 0.00000 -0.00001 0.00001 -0.00001 0.00001 -0.00001 0.00001 -0.00001 0.00002 -0.00002 0.00001 -0.00005 0.00005 -0.00001 -0.00001 0.00002 -0.00001 0.00001 -0.00002 0.00001 0.00001 0.00001 0.00001 -0.00001 -0.00001 -0.00001 0.00000 0.00001 0.00001 -0.00000 -0.00001 -0.00001 0.00001 0.00002 -0.00001 -0.00001 -0.00001 0.00000 0.00003 -0.00002 -0.00001 0.00000 -0.00001 0.00001 0.00000 0.00000 -0.00001 -0.00000 -0.00000 0.00000 0.00002 -0.00000 -0.00002 0.00005 -0.00006 0.00000 -0.00001 0.00002 -0.00002 -0.00000 0.00003 -0.00003 0.00000 -0.00000 0.00000 0.00000 -0.00001 0.00001 0.00002 0.00002 -0.00001 -0.00001 -0.00001 -0.00001 -0.00005 -0.00003 -0.00001 0.00001 0.00008 0.00002 0.00004 -0.00001 -0.00015 0.00000 0.00015 0.00006 -0.00002 -0.00010 0.00010 0.00011 0.00010 0.00027 0.00029 0.00028 0.00010 0.00012 0.00007 0.00008 0.00010 0.00006 0.00007 0.00009 0.00006 0.00006 0.00008 0.00003 0.00000 0.00002 -0.00001 0.00004 0.00001 0.00000 0.00000 0.00000 0.00001 0.00001 0.00002 0.00000 -0.00000 0.00000 -0.00017 -0.00016 -0.00017 -0.00019 -0.00019 -0.00019 -0.00016 -0.00016 -0.00016 -0.00014 -0.00019 -0.00021 -0.00014 -0.00019 -0.00022 -0.00016 -0.00021 -0.00023 0.00015 0.00012 0.00019 0.00015 0.00019 0.00016 0.00020 0.00019 0.00019 0.00018 0.00017 0.00017 0.00021 0.00021 0.00020 -0.00012 -0.00008 -0.00009 -0.00006 0.00005 0.00004 0.00002 0.00001 0.00012 0.00011 0.00008 0.00007 -0.00004 -0.00003 -0.00003 -0.00002 0.00002 0.00001 0.00003 0.00002 -0.00002 -0.00001 -0.00003 -0.00002 0.00018 0.00011 0.00023 0.00016 -0.00007 -0.00010 -0.00001 -0.00004 -0.00002 0.00008 -0.00008 0.00002 -0.00016 -0.00016 -0.00015 -0.00012 -0.00013 -0.00012 2.58538 2.61323 2.61967 2.34684 2.70036 2.56724 1.91629 2.54724 2.54421 2.75580 2.51685 2.92847 2.87600 2.91845 2.89754 2.92052 2.06417 2.07018 2.87510 2.89434 2.07024 2.65161 2.61420 2.64290 2.06671 2.06673 2.06771 2.06679 2.06309 2.06811 2.05990 2.06732 2.06796 2.64399 2.62101 2.62825 2.04759 2.04638 2.79036 2.68023 2.62595 2.81084 2.03525 2.05797 2.06014 2.05610 2.05972 2.23492 2.05007 1.99745 1.96023 2.10229 2.21843 1.83684 1.75884 1.93545 1.94696 1.89328 2.00105 1.92249 1.86803 1.95560 1.89931 1.96186 1.89646 1.88124 1.78517 1.96103 1.90548 2.02707 1.88597 1.89406 1.94749 2.26014 2.07329 1.92213 2.26931 2.09035 1.93322 1.94075 1.92076 1.88523 1.89109 1.89138 1.93715 1.94827 1.91241 1.89136 1.88668 1.88622 1.96866 1.91115 1.92860 1.87851 1.88961 1.88484 2.13265 2.06023 2.09013 2.08758 2.05909 2.13650 2.10606 2.08296 2.09383 2.06669 2.09545 2.12059 2.10084 2.11336 2.06899 2.22290 2.24836 1.81179 1.94360 2.05295 2.28548 1.87201 2.11653 2.29460 1.84462 1.93529 1.88941 1.94866 1.87951 1.96125 1.91200 1.89026 1.91452 1.91384 1.91685 1.91616 1.04005 -2.08097 -2.14555 1.01662 -3.04839 0.09282 0.13609 -3.00588 -0.02427 -3.09901 0.01879 -3.13308 3.08811 -0.06376 1.06782 -3.12856 -1.03746 -1.99619 0.09061 2.18170 0.02027 3.11592 -0.49160 -2.64974 1.55485 1.51038 -0.64776 -2.72635 -2.62297 1.50208 -0.57652 0.34781 -2.86810 -1.68565 1.38163 2.44080 -0.77511 -3.03065 -0.93415 1.16179 -1.11451 0.98198 3.07792 1.08866 -3.09804 -1.00209 1.07974 -3.09143 -1.00264 -0.90521 1.20681 -2.98758 -3.04625 -0.93424 1.15456 0.46097 2.64699 -1.53403 2.61526 -1.48191 0.62026 -1.58735 0.59866 2.70083 -0.24514 2.95454 -2.38702 0.81267 1.76414 -1.31936 3.04582 0.95445 -1.11958 -1.19068 3.00114 0.92711 0.93707 -1.15430 3.05486 -0.06842 3.02192 3.13859 -0.05425 0.05892 -3.07838 3.12165 -0.01564 0.04321 -3.11930 -3.03553 0.08514 3.07440 -0.03912 -0.04713 3.12254 -3.08399 0.02543 0.05338 -3.12039 -0.02129 -3.13023 3.09205 -0.01689 0.60985 -2.55213 -2.53136 0.58984 3.11577 0.02808 -0.00947 -3.09715 -3.13036 0.02296 -0.00545 -3.13532 -2.26668 1.96450 -0.14950 0.81825 -1.23376 2.93543 |Maximum Force|RMS Force|Maximum Displacement|RMS Displacement| 0.000017 0.000003 0.001200 0.000263 0.000450 0.000300 0.001800 0.001200 YES YES YES YES -7.024327e-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 1 2 3 4 5 5 5 6 6 6 7 8 8 8 8 9 9 9 10 10 10 11 11 12 13 13 13 14 14 14 15 15 15 16 17 18 18 19 20 21 21 22 23 24 25 25 25 17 24 24 20 16 20 40 7 23 25 22 9 11 13 14 10 26 27 12 15 28 12 17 16 29 30 31 32 33 34 35 36 37 18 19 19 38 39 21 22 23 24 41 42 43 44 45 1.3681 1.3829 1.3863 1.2419 1.429 1.3585 1.0141 1.3479 1.3463 1.4583 1.3319 1.5497 1.5219 1.5444 1.5333 1.5455 1.0923 1.0955 1.5214 1.5316 1.0955 1.4032 1.3834 1.3986 1.0937 1.0937 1.0942 1.0937 1.0917 1.0944 1.0901 1.094 1.0943 1.3991 1.387 1.3908 1.0835 1.0829 1.4766 1.4183 1.3896 1.4874 1.077 1.089 1.0902 1.088 1.09 -DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-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 A81 A82 A83 A84 A85 16 16 20 7 7 23 6 9 9 9 11 11 13 8 8 8 10 10 26 9 9 9 12 12 15 8 8 12 10 10 11 8 8 8 29 29 30 8 8 8 32 32 33 10 10 10 35 35 36 5 5 12 1 1 11 16 16 19 17 17 18 4 4 5 20 20 22 7 7 21 6 6 21 2 2 2 3 3 22 6 6 6 43 43 44 5 5 5 6 6 6 7 8 8 8 8 8 8 9 9 9 9 9 9 10 10 10 10 10 10 11 11 11 12 12 12 13 13 13 13 13 13 14 14 14 14 14 14 15 15 15 15 15 15 16 16 16 17 17 17 18 18 18 19 19 19 20 20 20 21 21 21 22 22 22 23 23 23 24 24 24 24 24 24 25 25 25 25 25 25 20 40 40 23 25 25 22 11 13 14 13 14 14 10 26 27 26 27 27 12 15 28 15 28 28 12 17 17 11 16 16 29 30 31 30 31 31 32 33 34 33 34 34 35 36 37 36 37 37 12 18 18 11 19 19 19 38 38 18 39 39 5 21 21 22 23 23 21 24 24 21 41 41 3 22 42 22 42 42 43 44 45 44 45 45 128.0513 117.4608 114.4453 112.3131 120.4498 127.1096 105.243 100.7732 110.8926 111.5527 108.4777 114.6518 110.1508 107.0292 112.0482 108.822 112.4066 108.6583 107.7879 102.2816 112.36 109.1755 116.145 108.0551 108.5225 111.5836 129.4952 118.7918 110.1292 130.023 119.7677 110.765 111.196 110.0511 108.0165 108.352 108.3684 110.9904 111.6273 109.5723 108.3671 108.0991 108.0726 112.7955 109.4996 110.5011 107.6313 108.2669 107.9931 122.1902 118.0433 119.756 119.6096 117.9778 122.4121 120.6682 119.3445 119.9677 118.4125 120.0604 121.5007 120.3678 121.0866 118.5457 127.3601 128.8245 103.8078 111.3606 117.6238 130.9494 107.2581 121.266 131.4726 105.6891 110.8843 108.2551 111.6499 107.6888 112.3711 109.5486 108.3026 109.6949 109.6552 109.8279 109.7886 -DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0 D1 D2 D3 D4 D5 D6 D7 D8 D9 D10 D11 D12 D13 D14 D15 D16 D17 D18 D19 D20 D21 D22 D23 D24 D25 D26 D27 D28 D29 D30 D31 D32 D33 D34 D35 D36 D37 D38 D39 D40 D41 D42 D43 D44 D45 D46 D47 D48 D49 D50 D51 D52 D53 D54 D55 D56 D57 D58 D59 D60 D61 D62 D63 D64 D65 D66 D67 D68 D69 D70 D71 D72 D73 D74 D75 D76 D77 D78 D79 D80 D81 D82 D83 D84 D85 D86 D87 D88 D89 D90 D91 D92 D93 D94 D95 D96 D97 D98 D99 D100 D101 D102 D103 D104 D105 D106 D107 D108 D109 D110 D111 D112 D113 D114 D115 D116 D117 D118 D119 D120 20 20 40 40 16 16 40 40 23 25 7 7 25 25 7 7 7 23 23 23 6 6 11 11 11 13 13 13 14 14 14 9 9 13 13 14 14 9 9 9 11 11 11 14 14 14 9 9 9 11 11 11 13 13 13 8 8 8 26 26 26 27 27 27 9 9 15 15 28 28 9 9 9 12 12 12 28 28 28 8 8 17 17 8 8 12 12 10 10 11 11 5 5 12 12 1 1 11 11 16 16 38 38 4 4 5 5 20 20 23 23 20 20 22 22 7 7 7 21 21 5 5 5 5 5 5 5 5 6 6 6 6 6 6 6 6 6 6 6 6 7 7 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 8 8 8 8 8 8 8 9 9 9 9 9 9 9 9 9 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 11 11 11 11 11 11 11 11 12 12 12 12 16 16 16 16 17 17 17 17 18 18 18 18 20 20 20 20 21 21 21 21 21 21 21 21 22 22 22 22 22 16 16 16 16 20 20 20 20 7 7 23 23 23 23 25 25 25 25 25 25 22 22 9 9 9 9 9 9 9 9 9 11 11 11 11 11 11 13 13 13 13 13 13 13 13 13 14 14 14 14 14 14 14 14 14 10 10 10 10 10 10 10 10 10 12 12 12 12 12 12 15 15 15 15 15 15 15 15 15 12 12 12 12 17 17 17 17 16 16 16 16 18 18 18 18 19 19 19 19 19 19 19 19 21 21 21 21 22 22 22 22 23 23 23 23 24 24 24 24 24 12 18 12 18 4 21 4 21 22 22 21 41 21 41 43 44 45 43 44 45 21 24 10 26 27 10 26 27 10 26 27 12 17 12 17 12 17 29 30 31 29 30 31 29 30 31 32 33 34 32 33 34 32 33 34 12 15 28 12 15 28 12 15 28 11 16 11 16 11 16 35 36 37 35 36 37 35 36 37 10 16 10 16 1 19 1 19 5 18 5 18 19 38 19 38 18 39 18 39 17 39 17 39 22 23 22 23 7 24 7 24 6 41 6 41 2 3 42 2 3 59.5929 -119.2287 -122.9304 58.2479 -174.6643 5.317 7.7952 -172.2235 -1.382 -177.5603 1.0685 -179.5156 176.9367 -3.6474 61.1763 -179.2595 -59.4481 -114.3892 5.1751 124.9864 1.156 178.5219 -28.1708 -151.8236 89.0808 86.5349 -37.1179 -156.2135 -150.2883 86.0589 -33.0368 19.9263 -164.3299 -96.5821 79.1616 139.845 -44.4113 -173.6434 -53.5232 66.5653 -63.8576 56.2627 176.3512 62.3754 -177.5043 -57.4159 61.8741 -177.1166 -57.4373 -51.8537 69.1557 -171.1651 -174.5278 -53.5185 66.1607 26.4196 151.6721 -87.8814 149.8515 -84.896 35.5505 -90.9395 34.313 154.7595 -14.0545 169.2763 -136.7772 46.5536 101.0665 -75.6026 174.5008 54.675 -64.1582 -68.2315 171.9427 53.1095 53.6778 -66.148 175.0189 -3.9137 173.1483 179.8333 -3.1048 3.3732 -176.3804 178.8565 -0.897 2.4689 -178.729 -173.928 4.8741 176.1524 -2.2395 -2.699 178.9092 -176.7008 1.4566 3.0566 -178.786 -1.2187 -179.3484 177.1631 -0.9665 34.9314 -146.2327 -145.0497 33.7862 178.5243 1.6148 -0.5418 -177.4513 -179.3551 1.3112 -0.3079 -179.6416 -129.8621 112.5668 -8.5567 46.8892 -70.6819 -DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-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 -0.0573767717 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 0 331.20730959999975 AuxInfo=1/0/N:8;9;10;11;12;13;14;15;16;17;18;19;20;21;22;23;24;25;1;2;3;5;6;7;4;26;27;28;29;30;31;32;33;34;35;36;37;38;39;40;41;42;43;44;45/rA:45nF0F0F0O0N0N0N0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:3.7911,2.0304,1.4172;-2.4238,-2.4093,-1.3197;-4.3702,-1.4644,-1.0298;-2.5263,.4471,-2.4636;-.4661,1.2142,-1.9955;-1.869,.3421,1.9697;-2.5666,-.7339,1.6291;2.8357,-.7815,.9374;2.2937,-1.8076,-.0726;1.0562,-1.1845,-.7349;2.381,.5114,.2962;1.3328,.2955,-.5988;2.129,-.924,2.2904;4.3426,-.9323,1.1147;.8587,-1.7015,-2.1544;.6758,1.3779,-1.1781;2.7958,1.8034,.5426;1.1425,2.6672,-.9361;2.213,2.8879,-.0861;-1.6478,.6617,-1.6379;-1.8498,.3391,-.215;-2.5791,-.7464,.3125;-1.4088,1.0117,.9064;-3.2496,-1.8759,-.3764;-1.6555,.6825,3.3594;2.0767,-2.7704,.3935;3.0527,-1.985,-.8416;.1648,-1.4344,-.149;2.4168,-.1249,2.9757;1.0425,-.892,2.1834;2.3872,-1.875,2.7606;4.8795,-.7094,.1914;4.7383,-.2916,1.9018;4.5772,-1.9622,1.3908;-.0605,-1.3526,-2.6189;.8181,-2.7917,-2.1454;1.6917,-1.4076,-2.7949;.647,3.5105,-1.399;2.5681,3.8911,.109;-.403,1.527,-2.9553;-.8336,1.9162,1.0189;-3.5302,-2.6622,.3248;-1.9334,-.1683,3.9723;-.6068,.9135,3.5301;-2.2597,1.5414,3.6436; 0.000000 8.113365 0.000000 9.209185 2.182945 0.000000 7.581362 3.078621 3.018247 0.000000 5.516968 4.173562 4.832111 2.247603 0.000000 5.932426 4.324094 4.303040 4.482981 4.295526 0.000000 6.936004 3.394470 3.294835 4.259855 4.620042 1.326820 0.000000 3.008306 5.950288 7.500696 6.467345 4.846285 4.945921 5.446602 0.000000 4.380909 4.916515 6.741047 5.833811 4.521733 5.110843 5.260376 1.538431 0.000000 4.737855 3.735266 5.441587 4.299355 3.108091 4.266439 4.349310 2.475011 1.535756 0.000000 2.356404 5.850387 7.158230 5.630413 3.721789 4.570775 5.273173 1.513091 2.349803 2.386278 0.000000 3.621843 4.684773 5.983885 4.288677 2.455789 4.105008 4.607453 2.403833 2.371386 1.511739 1.395106 0.000000 3.500547 5.997258 7.318166 6.793555 5.447551 4.205966 4.745807 1.533082 2.528197 3.220519 2.469996 3.235550 0.000000 3.028727 7.341080 8.988565 7.866905 6.115928 6.398372 6.931176 1.524793 2.524619 3.779575 2.569463 3.674567 2.506443 0.000000 5.939914 3.460081 5.353688 4.021219 3.206531 5.350209 5.194567 3.783384 2.530715 1.523514 3.635871 2.575372 4.687710 4.839025 0.000000 4.106889 4.895931 5.793369 3.573833 1.413852 4.178301 4.780564 3.715252 3.739968 2.628082 2.414919 1.392397 4.409218 4.902954 3.235603 0.000000 1.344314 6.961203 8.031325 6.261067 4.174822 5.092424 6.031092 2.615122 3.697280 3.685864 1.379115 2.391003 3.307265 3.194316 4.828058 2.763351 0.000000 3.599854 6.215771 6.889754 4.552106 2.412684 4.787433 5.648508 4.274376 4.700558 3.857899 2.774864 2.403126 4.927531 5.234770 4.544246 1.392353 2.380390 0.000000 2.342161 7.147144 7.948075 5.837008 3.691177 5.231721 6.237365 3.860019 4.696277 4.282957 2.412921 2.785385 4.492845 4.535533 5.212938 2.415695 1.382452 1.384652 0.000000 6.386651 3.183410 3.507321 1.224548 1.352631 3.628443 3.669436 5.368103 4.907520 3.396394 4.471518 3.177719 5.675431 6.782524 3.483426 2.474630 5.079735 3.507192 4.719125 0.000000 6.111084 3.017194 3.204503 2.350604 2.418784 2.184801 2.250753 4.953560 4.668845 3.322173 4.265070 3.205984 4.868678 6.459937 3.906600 2.895805 4.929495 3.859271 4.797883 1.472870 0.000000 7.036403 2.335276 2.350633 3.022293 3.692645 2.105964 1.316633 5.450795 5.001888 3.808474 5.117088 4.149561 5.109774 6.970475 4.337775 4.162846 5.953457 5.202119 6.027556 2.579545 1.410145 0.000000 5.323323 4.205821 4.318589 3.595070 3.057871 1.338235 2.215893 4.607768 4.755579 3.686915 3.871017 3.208538 4.263594 6.074569 4.676675 2.970683 4.293879 3.555916 4.197914 2.579336 1.380036 2.193922 0.000000 8.249178 1.362461 1.360830 3.205617 4.462962 3.511367 2.406768 6.320963 5.552090 4.375692 6.152665 5.075712 6.078487 7.794578 4.479932 5.161313 7.136438 6.343795 7.253872 3.255205 2.625232 1.483265 3.656877 0.000000 5.937574 5.660734 5.589691 5.892503 5.511129 1.446692 2.414706 5.308432 5.794434 5.253828 5.070064 4.974642 4.248016 6.604739 6.512038 5.148598 5.385591 5.497234 5.630339 4.997358 3.596174 3.489770 2.487294 4.800374 0.000000 5.199561 4.829022 6.730016 6.300996 5.296260 5.266921 5.218629 2.197225 1.091454 2.197706 3.297336 3.307229 2.647717 3.005538 3.019556 4.651954 4.632371 5.675228 5.680264 5.456902 5.045496 5.077321 5.168720 5.455477 5.886255 0.000000 4.665931 5.513636 7.443473 6.298474 4.893714 6.127148 6.264672 2.158801 1.094933 2.153633 2.824485 2.866627 3.433447 2.568891 2.572420 4.131768 4.041485 5.029965 5.002105 5.452884 5.461587 5.880733 5.651566 6.320392 6.850601 1.759262 0.000000 5.254405 3.003559 4.619779 4.017343 3.289781 3.432377 3.333591 2.956409 2.162784 1.095636 2.982617 2.135207 3.173294 4.393556 2.138764 3.037965 4.228933 4.289365 4.783493 3.145764 2.684856 2.866204 3.094091 3.450312 4.483731 2.394704 3.020411 0.000000 2.993850 6.862941 7.993825 7.372023 5.900586 4.426994 5.197967 2.182013 3.484074 4.091800 2.754248 3.758821 1.091320 2.797113 5.588473 4.747976 3.127568 4.972100 4.300351 6.198763 5.347891 5.695380 4.495380 6.812558 4.169183 3.712454 4.293733 4.068213 0.000000 4.084403 5.156510 6.320613 6.010359 4.916852 3.169510 3.654927 2.186331 2.737421 2.933035 2.706021 3.038930 1.092196 3.469008 4.416532 4.072679 3.609853 4.733845 4.561614 4.924863 3.953987 4.078922 3.356128 5.093495 3.337819 2.793176 3.792914 2.550512 1.762000 0.000000 4.362090 6.330870 7.758742 7.538334 6.348606 4.863812 5.207996 2.172712 2.835461 3.803547 3.430451 4.136189 1.091829 2.724108 5.150056 5.387316 4.314684 5.987176 5.551495 6.485575 5.631091 5.650742 5.116682 6.450959 4.821066 2.549738 3.664750 3.687705 1.763543 1.762846 0.000000 3.192812 7.649265 9.360487 7.951897 6.087622 7.057729 7.583749 2.176979 2.821732 3.962543 2.782862 3.770117 3.466631 1.091127 4.759623 4.889129 3.283228 5.161254 4.486478 6.916138 6.822710 7.459712 6.558691 8.232037 7.394611 3.484914 2.455906 4.782326 3.762893 4.327147 3.764399 0.000000 2.554201 8.133777 9.640269 8.507464 6.674049 6.638039 7.323433 2.188648 3.488919 4.616036 2.963112 4.265619 2.712834 1.089296 5.787226 5.364425 3.163844 5.453313 4.520911 7.363512 6.948586 7.501816 6.362094 8.456223 6.629782 3.937493 3.638014 5.140954 2.563328 3.754808 2.961768 1.766375 0.000000 4.069374 7.520657 9.282379 8.433303 6.855068 6.870130 7.252567 2.152368 2.716541 4.185826 3.484314 4.425156 2.807280 1.091812 5.144279 5.742499 4.251181 6.216382 5.594161 7.403303 7.012965 7.338473 6.701528 8.024310 7.050937 2.810771 2.703392 4.703106 3.248859 3.777224 2.584495 1.760556 1.754416 0.000000 6.524527 2.896442 4.594659 3.056636 2.672365 5.215117 4.970736 4.621788 3.497579 2.196446 4.234699 2.956004 5.392476 5.788209 1.087389 3.173846 5.302185 4.520760 5.437411 2.745779 3.441231 3.912010 4.453663 3.933552 6.513482 3.956267 3.640126 2.481428 6.240443 4.948820 5.933158 5.719713 6.677635 6.160953 0.000000 6.692091 3.367186 5.470350 4.666494 4.209416 5.828871 5.471553 4.197080 2.728115 2.151586 4.394837 3.491090 4.988373 5.148585 1.090991 4.282685 5.679034 5.600643 6.200379 4.273712 4.543869 4.665405 5.360852 4.529308 6.963650 2.833839 2.709997 2.500960 5.991142 4.732711 5.231759 5.127547 6.164308 5.227216 1.751339 0.000000 5.828322 4.485180 6.313909 4.619644 3.488444 6.200157 6.177304 3.953604 2.816686 2.167298 3.703048 2.802184 5.126993 4.747459 1.091155 3.377108 4.761118 4.512266 5.104977 4.095533 4.716951 5.322906 5.400539 5.521349 7.310833 3.488784 2.449722 3.055012 5.955766 5.046917 5.618325 4.423540 5.708465 5.114108 1.761902 1.760907 0.000000 4.472949 6.669328 7.075216 4.537343 2.620677 5.264770 6.124716 5.354473 5.723126 4.759377 3.856825 3.383369 5.955942 6.301967 5.270750 2.144256 3.361777 1.082120 2.136283 3.665953 4.206401 5.608790 3.973057 6.726295 5.995152 6.686356 6.024851 5.123228 5.957023 5.689658 7.023824 6.184823 6.487743 7.292506 5.063445 6.348600 5.218043 0.000000 2.582490 8.164232 8.838471 6.665728 4.560830 5.978826 7.075829 4.752971 5.708225 5.362803 3.390037 3.867224 5.304387 5.236905 6.270733 3.399058 2.144401 2.150029 1.081907 5.590600 5.678012 6.931206 4.974170 8.206100 6.220866 6.685669 5.972162 5.848392 4.936477 5.432157 6.349106 5.149214 5.041744 6.319874 6.468912 7.266686 6.105469 2.471751 0.000000 6.079724 4.717354 5.328727 2.432367 1.011521 5.273480 5.550697 5.565213 5.167477 3.796289 4.399360 3.175362 6.319554 6.718193 3.557661 2.084374 4.748062 2.786683 4.114346 2.008549 3.318728 4.536863 4.023718 5.131694 6.492960 5.985953 5.361340 4.119222 6.771781 5.860729 7.213225 6.542850 7.302919 7.474376 2.919378 4.560557 3.609096 2.731096 4.879164 0.000000 4.643217 5.167990 5.304159 4.141463 3.116834 2.110500 3.224790 4.554923 4.983824 4.032588 3.581770 3.152292 4.296539 5.908933 5.101149 2.719416 3.662210 2.879418 3.383315 3.048863 2.245611 3.261222 1.077826 4.707954 2.770483 5.552041 5.812396 3.686136 4.308075 3.572348 5.270671 6.341805 6.058046 6.667591 4.951396 5.908136 5.654235 3.252730 4.037259 4.016446 0.000000 8.764513 1.998175 1.993784 4.295476 5.458860 3.806685 2.519486 6.666103 5.899714 4.933765 6.709319 5.766274 6.237955 8.099238 5.131468 6.022642 7.746444 7.199089 7.997348 4.294629 3.481836 2.138957 4.282120 1.090298 4.889877 5.608351 6.719662 3.922367 6.988002 5.243897 6.447402 8.634546 8.745035 8.207099 4.734901 5.002703 6.210921 7.650067 8.954455 6.171628 5.358740 0.000000 6.643354 5.767881 5.713085 6.492429 6.299159 2.067659 2.492377 5.686043 6.075998 5.668266 5.708793 5.637263 4.461318 6.938159 6.905330 5.977156 6.165734 6.449385 6.557781 5.678462 4.218827 3.761023 3.326809 4.853888 1.084782 5.971606 7.164908 4.794922 4.463132 3.546880 4.800991 7.810590 6.986760 7.229846 6.953735 7.202834 7.776482 7.003122 7.188059 7.294478 3.778567 4.698298 0.000000 5.005371 6.153252 6.372599 6.310768 5.535511 2.086751 3.188864 4.630898 5.366241 5.035610 4.421130 4.603413 3.521025 5.808360 6.426409 4.901817 4.614589 5.107091 4.992625 5.277743 3.987560 4.122818 2.745236 5.479596 1.087263 5.532641 6.395654 4.432116 3.244611 2.791664 4.163175 6.624248 5.716109 6.302362 6.575915 6.926056 7.118711 5.710705 5.536237 6.517546 2.713405 5.621904 1.768008 0.000000 6.466001 6.345808 5.943905 6.210206 5.926516 2.095950 3.054462 6.219480 6.764596 6.131677 5.813961 5.697058 5.212476 7.490292 7.338772 5.647435 5.936596 5.815215 5.977401 5.389095 4.062326 4.053647 2.914966 5.368296 1.087916 6.925235 7.795766 5.396070 5.009187 4.354090 5.834845 8.243368 7.440856 8.005836 7.240866 7.858876 8.109569 6.144476 6.428285 6.855222 3.010549 5.504446 1.771281 1.771789 0.000000 C18H20F3N3O 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 0 331.20730959999975 AuxInfo=1/0/N:8;9;10;11;12;13;14;15;16;17;18;19;20;21;22;23;24;25;1;2;3;5;6;7;4;26;27;28;29;30;31;32;33;34;35;36;37;38;39;40;41;42;43;44;45/rA:45nF0F0F0O0N0N0N0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:4.3178,.5681,-1.0337;-3.2019,-.8035,1.6867;-4.7646,-.0922,.3386;-2.8584,-1.8729,-1.1797;-.6241,-1.8533,-1.4233;-1.3399,2.3133,-.6622;-2.328,2.1215,.2023;2.644,.2807,1.4494;1.6766,-.5978,2.2614;.5127,-.9721,1.332;2.3864,-.2359,.0508;1.1548,-.8856,-.0339;2.2203,1.7529,1.5061;4.0751,.1275,1.953;-.0919,-2.3201,1.7042;.6681,-1.3,-1.2709;3.1379,-.0732,-1.0941;1.4672,-1.1529,-2.4016;2.7118,-.5518,-2.3192;-1.8025,-1.2541,-1.137;-1.7756,.1759,-.7852;-2.6159,.8386,.133;-.9647,1.1817,-1.2702;-3.6633,.3004,1.0349;-.7681,3.6272,-.8609;1.3388,-.1044,3.1745;2.1952,-1.5139,2.5623;-.2711,-.21,1.4047;2.8252,2.3671,.8368;1.1746,1.883,1.2187;2.3371,2.1478,2.5172;4.446,-.8879,1.8049;4.766,.8164,1.4686;4.1105,.3373,3.0239;-.9778,-2.5722,1.1262;-.3873,-2.3123,2.7544;.6355,-3.1226,1.572;1.1011,-1.4905,-3.3623;3.3275,-.429,-3.2003;-.689,-2.8013,-1.7699;-.1808,1.1756,-2.0099;-3.9708,1.0387,1.776;-1.1068,4.278,-.0618;.3173,3.5697,-.834;-1.0787,4.0426,-1.8172; 0.3604208 0.1662595 0.1628322 -24.69642 -24.69579 -24.69492 -19.10553 -14.41052 -14.35109 -14.34993 -10.34068 -10.29497 -10.25865 -10.22017 -10.21779 -10.21571 -10.20424 -10.19157 -10.18472 -10.18435 -10.18120 -10.18064 -10.18023 -10.17347 -10.15546 -10.15110 -10.15017 -10.14904 -1.26946 -1.23952 -1.20964 -1.08799 -1.06227 -0.95245 -0.88557 -0.87403 -0.83442 -0.81800 -0.78492 -0.75436 -0.74728 -0.74079 -0.70540 -0.68461 -0.68225 -0.65801 -0.63712 -0.63395 -0.60693 -0.59503 -0.58375 -0.57559 -0.56187 -0.55261 -0.54776 -0.53641 -0.52073 -0.51083 -0.50449 -0.49576 -0.48374 -0.48149 -0.46640 -0.45592 -0.45185 -0.44611 -0.43973 -0.43587 -0.43252 -0.42970 -0.42348 -0.41854 -0.41303 -0.41140 -0.40443 -0.40208 -0.40086 -0.38786 -0.38529 -0.37227 -0.36569 -0.35909 -0.35757 -0.34777 -0.33533 -0.33032 -0.32445 -0.32262 -0.30946 -0.29363 -0.28652 -0.27992 -0.26844 -0.25120 -0.24032 -0.03666 -0.02182 -0.01500 -0.00573 0.00560 0.01423 0.01742 0.01967 0.03090 0.03164 0.03529 0.03736 0.04177 0.04508 0.05369 0.05448 0.05570 0.06112 0.06174 0.06456 0.06798 0.07565 0.07971 0.08216 0.08482 0.08611 0.09017 0.09357 0.09845 0.10363 0.10682 0.11002 0.11305 0.11769 0.12059 0.12300 0.12813 0.12918 0.13276 0.13603 0.13657 0.14244 0.14442 0.14607 0.15294 0.15423 0.15956 0.16032 0.16369 0.16843 0.16992 0.17220 0.17317 0.17734 0.18150 0.18301 0.18400 0.18906 0.19285 0.19389 0.19676 0.19792 0.20090 0.20540 0.20823 0.20904 0.21122 0.21449 0.21753 0.21854 0.22370 0.22588 0.22782 0.23033 0.23233 0.23586 0.23769 0.24021 0.24228 0.24538 0.24898 0.25089 0.25286 0.25498 0.25902 0.26247 0.26359 0.26780 0.26953 0.27334 0.27541 0.27661 0.27911 0.28235 0.28481 0.28915 0.29134 0.29294 0.29857 0.30287 0.30799 0.31011 0.31318 0.31675 0.31958 0.32043 0.32402 0.32621 0.33151 0.33541 0.33814 0.34277 0.34543 0.34727 0.35338 0.35757 0.35959 0.36667 0.36736 0.36952 0.37508 0.37690 0.38191 0.38604 0.38712 0.39013 0.39380 0.40062 0.40215 0.40541 0.41238 0.41571 0.42346 0.43051 0.43526 0.44129 0.44694 0.45180 0.45449 0.46529 0.47001 0.47409 0.47536 0.48370 0.49062 0.49890 0.50118 0.51018 0.51966 0.52731 0.53594 0.53777 0.54055 0.54770 0.54961 0.55873 0.56631 0.57608 0.58026 0.58273 0.58652 0.59065 0.59454 0.60024 0.60365 0.61162 0.61923 0.62418 0.62653 0.63070 0.63514 0.64576 0.65328 0.66096 0.66420 0.67001 0.67116 0.68034 0.68561 0.69056 0.69357 0.69659 0.69949 0.70444 0.70811 0.71287 0.71873 0.72372 0.72476 0.73265 0.73541 0.73984 0.74086 0.74552 0.74884 0.75724 0.76309 0.76982 0.77918 0.78426 0.78554 0.79768 0.80007 0.80314 0.81234 0.81294 0.82063 0.82346 0.83016 0.84018 0.84264 0.84836 0.85274 0.85975 0.86402 0.87861 0.87976 0.89445 0.89979 0.90237 0.90913 0.92224 0.92347 0.93170 0.94126 0.94769 0.95792 0.96040 0.98165 0.98306 0.99551 1.00332 1.00917 1.01225 1.01780 1.03909 1.04594 1.05282 1.06775 1.07188 1.08155 1.08692 1.09321 1.10257 1.10957 1.11773 1.12533 1.12684 1.13248 1.16239 1.17520 1.18856 1.19968 1.20336 1.20907 1.21081 1.23122 1.24091 1.24988 1.26418 1.27123 1.27750 1.28577 1.29691 1.30994 1.31652 1.32789 1.34798 1.36604 1.37237 1.38689 1.39104 1.41146 1.42044 1.42497 1.43996 1.44167 1.45121 1.45724 1.46603 1.47338 1.47512 1.48972 1.49176 1.50359 1.50805 1.51772 1.52346 1.52958 1.53253 1.53575 1.54284 1.54437 1.54932 1.55639 1.56306 1.57112 1.57749 1.58328 1.58455 1.58787 1.59451 1.60255 1.61012 1.61833 1.62674 1.63065 1.63833 1.64310 1.64808 1.65797 1.66603 1.67239 1.67509 1.67870 1.68104 1.68747 1.68951 1.69871 1.70743 1.71711 1.71887 1.72449 1.73442 1.74202 1.74822 1.75222 1.76461 1.77589 1.78023 1.79250 1.79727 1.80857 1.81548 1.81888 1.82862 1.83235 1.84292 1.84781 1.85186 1.86253 1.86940 1.88707 1.89573 1.89855 1.90853 1.91986 1.93251 1.93838 1.94463 1.95896 1.96499 1.96958 1.98205 1.99309 2.00428 2.01032 2.01647 2.03208 2.04231 2.05640 2.06149 2.07231 2.08388 2.09177 2.10340 2.10786 2.12130 2.12954 2.13714 2.14516 2.15761 2.16211 2.17196 2.17918 2.18660 2.19159 2.19756 2.21237 2.21745 2.22298 2.24869 2.26118 2.27263 2.28349 2.29263 2.31912 2.33622 2.34363 2.34825 2.38502 2.39827 2.40885 2.42029 2.42497 2.45386 2.46006 2.46600 2.48079 2.48638 2.49821 2.50393 2.50711 2.52963 2.53908 2.54006 2.55202 2.56314 2.57078 2.57606 2.58489 2.58765 2.59077 2.61079 2.63080 2.63813 2.65350 2.66670 2.67449 2.67772 2.68287 2.69296 2.70434 2.70628 2.72299 2.72588 2.73310 2.73597 2.74443 2.75610 2.76038 2.76703 2.77852 2.78198 2.78968 2.80915 2.81921 2.83036 2.83522 2.84159 2.86874 2.87333 2.88616 2.89538 2.89815 2.92047 2.92479 2.93495 2.94802 2.95646 2.96570 2.97611 2.98522 2.98899 3.00545 3.01649 3.02770 3.04067 3.05375 3.07654 3.08774 3.09020 3.11354 3.13431 3.15261 3.17449 3.18245 3.19436 3.21676 3.23679 3.25382 3.27755 3.28632 3.28962 3.33055 3.34060 3.36407 3.38829 3.43040 3.45641 3.47613 3.49403 3.50939 3.54302 3.56627 3.58894 3.63366 3.67055 3.69763 3.71940 3.74320 3.75653 3.76924 3.77805 3.78627 3.79259 3.79624 3.80691 3.82697 3.83959 3.84214 3.84766 3.85044 3.85500 3.86266 3.87273 3.88383 3.90759 3.92040 3.93728 3.94194 3.98921 4.02814 4.03512 4.04998 4.05646 4.10710 4.11914 4.12578 4.14566 4.17854 4.23648 4.27638 4.32275 4.34003 4.35215 4.40979 4.46097 4.48729 4.63383 4.79727 4.82787 4.88657 4.90042 4.92410 5.02316 5.12317 5.14612 5.24920 5.50012 5.81257 6.35387 6.37779 6.38648 6.41165 6.44852 6.49356 6.59318 6.74617 6.78583 23.57375 23.69334 23.82045 23.86826 23.90857 23.92638 23.95434 23.95847 23.96664 23.99040 24.00228 24.00960 24.02834 24.03889 24.09577 24.12501 24.16783 24.20722 35.55225 35.61673 35.67784 50.04834 66.77231 66.82552 66.83150 1-A. 7.7878 5.1113 -1.5142 9.4375 -189.2987 -136.5741 -132.9345 -14.7867 -5.2082 -2.0097 -36.3629 16.3617 20.0012 -14.7867 -5.2082 -2.0097 50.7789 45.8998 -24.3209 13.3033 42.3119 38.7497 8.0221 2.7867 -24.9974 11.5033 -6334.4099 -1897.9795 -1817.5980 -158.7180 -164.0745 6.4683 -57.5923 -132.9212 28.1411 -1404.4751 -1212.4432 -638.5420 -10.3279 -14.2146 -28.4263 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 331.20730959999975 AuxInfo=1/0/N:8;9;10;11;12;13;14;15;16;17;18;19;20;21;22;23;24;25;1;2;3;5;6;7;4;26;27;28;29;30;31;32;33;34;35;36;37;38;39;40;41;42;43;44;45/rA:45nF0F0F0O0N0N0N0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:3.8596,2.071,1.3865;-2.6191,-2.3659,-1.4777;-4.5234,-1.3158,-1.1012;-2.5371,.5477,-2.5274;-.4457,1.2302,-2.0236;-1.8538,.2642,1.9416;-2.6094,-.7875,1.5676;2.8457,-.7544,.9876;2.2715,-1.8131,.0124;1.0337,-1.1814,-.6638;2.4073,.5315,.3018;1.3486,.3054,-.5909;2.149,-.8375,2.3634;4.3625,-.9055,1.1537;.7807,-1.7498,-2.0633;.716,1.3899,-1.2069;2.8442,1.8287,.5022;1.2078,2.6847,-1.0088;2.2863,2.9119,-.1606;-1.6509,.7107,-1.6728;-1.8783,.3472,-.2598;-2.6444,-.738,.2371;-1.3863,.9585,.887;-3.3908,-1.8106,-.4735;-1.5533,.4948,3.3498;2.0357,-2.7518,.5188;3.0205,-2.0273,-.7577;.1495,-1.3719,-.0456;2.4743,-.0199,3.0128;1.0619,-.7757,2.2605;2.3957,-1.7848,2.8522;4.8781,-.7526,.2013;4.7609,-.1932,1.8788;4.5938,-1.9151,1.5072;-.1432,-1.3804,-2.5085;.7086,-2.84,-2.0071;1.6085,-1.4999,-2.7339;.7233,3.5182,-1.5035;2.6713,3.9095,.0106;-.3974,1.5718,-2.9772;-.7592,1.8238,1.021;-3.7059,-2.6097,.1959;-.9994,-.3553,3.7486;-.9473,1.3951,3.427;-2.4811,.6256,3.9068; 0.000000 8.358440 0.000000 9.377347 2.206998 0.000000 7.652298 3.098010 3.074463 0.000000 5.556201 4.237140 4.895003 2.256943 0.000000 6.017889 4.381192 4.345376 4.529855 4.317244 0.000000 7.074739 3.430084 3.326441 4.307839 4.652919 1.347948 0.000000 3.028145 6.208027 7.680059 6.559449 4.882541 4.902334 5.486010 0.000000 4.415423 5.142431 6.903551 5.928532 4.559591 5.005455 5.224359 1.549685 0.000000 4.771478 3.925414 5.575975 4.383376 3.138977 4.149100 4.290295 2.488530 1.545467 0.000000 2.378179 6.068476 7.308618 5.696657 3.746304 4.573472 5.339407 1.521913 2.366315 2.398546 0.000000 3.651413 4.864637 6.113046 4.348302 2.475329 4.082910 4.638890 2.419961 2.388221 1.521443 1.403166 0.000000 3.512800 6.310707 7.533506 6.913674 5.500301 4.172986 4.824765 1.544377 2.548256 3.244331 2.488207 3.267202 0.000000 3.027655 7.602654 9.176780 7.954106 6.146136 6.374262 6.985219 1.533313 2.549189 3.802647 2.571758 3.686952 2.523425 0.000000 5.998300 3.504412 5.408093 4.062258 3.222696 5.199561 5.059850 3.816204 2.556419 1.531612 3.666629 2.591189 4.722283 4.887883 0.000000 4.131834 5.030140 5.897761 3.610514 1.428972 4.217051 4.847386 3.734951 3.763753 2.647176 2.423520 1.398558 4.445441 4.913128 3.255119 0.000000 1.368117 7.166792 8.169547 6.307026 4.190621 5.156609 6.141823 2.628320 3.718946 3.701079 1.383381 2.398417 3.325098 3.194654 4.862712 2.764585 0.000000 3.625815 6.354029 6.989975 4.571365 2.424765 4.892520 5.767607 4.300711 4.733370 3.885362 2.791532 2.419895 4.966273 5.245832 4.578177 1.399141 2.386171 0.000000 2.361328 7.324822 8.070385 5.870008 3.709832 5.345054 6.374982 3.882360 4.728143 4.310083 2.427831 2.803295 4.521866 4.539872 5.255360 2.424267 1.386984 1.390812 0.000000 6.447937 3.231222 3.561565 1.241900 1.358527 3.647498 3.696420 5.426270 4.959356 3.435910 4.516653 3.214339 5.755633 6.838343 3.481297 2.506124 5.117324 3.536935 4.757523 0.000000 6.213349 3.064797 3.235773 2.369875 2.437841 2.203110 2.271913 5.008643 4.686394 3.313576 4.326168 3.244127 4.950178 6.520404 3.836709 2.952036 5.007798 3.943221 4.892004 1.476589 0.000000 7.177340 2.364593 2.378160 3.050825 3.717438 2.129510 1.331857 5.541266 5.037152 3.812747 5.209198 4.209342 5.244803 7.068642 4.248173 4.231513 6.064976 5.301625 6.147559 2.594937 1.418328 0.000000 5.385806 4.261838 4.355114 3.626514 3.070897 1.346346 2.237780 4.566669 4.671864 3.583368 3.862132 3.176563 4.231300 6.049378 4.553581 2.998353 4.336237 3.647383 4.289705 2.585352 1.389590 2.209839 0.000000 8.431769 1.382870 1.386263 3.241786 4.508099 3.535523 2.413169 6.491915 5.683138 4.473094 6.301140 5.191619 6.299538 7.973767 4.464555 5.258027 7.285069 6.453026 7.391182 3.289751 2.643754 1.487433 3.679239 0.000000 5.969796 5.711816 5.649070 5.959307 5.535501 1.458305 2.436392 5.147039 5.576160 5.060743 4.997789 4.897575 4.056486 6.463808 6.307733 5.168614 5.406178 5.605117 5.736571 5.028235 3.627282 3.521280 2.511670 4.827952 0.000000 5.228616 5.079600 6.907145 6.409124 5.336352 5.123303 5.151257 2.205794 1.092310 2.206482 3.311395 3.324086 2.660762 3.037405 3.040734 4.676898 4.651333 5.707410 5.709748 5.512083 5.052680 5.102759 5.060814 5.596186 5.606748 0.000000 4.700801 5.695517 7.585244 6.375750 4.922181 6.024623 6.216176 2.167274 1.095496 2.161453 2.836609 2.874798 3.452028 2.590898 2.607389 4.146106 4.060447 5.054914 5.029002 5.491507 5.466733 5.894408 5.571406 6.421307 6.644770 1.767591 0.000000 5.260125 3.271756 4.791037 4.130657 3.322227 3.261731 3.248970 2.952705 2.168155 1.095529 2.973398 2.132640 3.175966 4.405131 2.147579 3.049086 4.219632 4.301582 4.788487 3.197884 2.667088 2.878883 2.942661 3.592978 4.232396 2.404230 3.029757 0.000000 2.989249 7.184134 8.220304 7.492088 5.954381 4.467731 5.340631 2.186048 3.501248 4.116007 2.767342 3.789436 1.093653 2.793910 5.623859 4.783863 3.139675 5.009266 4.324492 6.285429 5.458080 5.867021 4.514533 7.054125 4.074338 3.724984 4.306377 4.072659 0.000000 4.085862 5.482073 6.541351 6.134248 4.964859 3.111985 3.736195 2.191476 2.755511 2.952379 2.712049 3.062875 1.093663 3.483627 4.441046 4.102717 3.612642 4.762789 4.578094 5.003982 4.032139 4.222876 3.299684 5.326592 3.104883 2.808280 3.809485 2.550696 1.769761 0.000000 4.377024 6.650954 7.982797 7.662573 6.398253 4.804813 5.262772 2.177407 2.842636 3.818574 3.445347 4.161797 1.094188 2.743426 5.174159 5.420075 4.333775 6.024607 5.581045 6.563484 5.700735 5.773922 5.068736 6.674233 4.586849 2.551373 3.671648 3.689671 1.773942 1.774134 0.000000 3.227172 7.850469 9.508017 8.007640 6.101139 7.027095 7.611217 2.179140 2.820357 3.963747 2.786415 3.768849 3.482755 1.093698 4.786613 4.888433 3.300058 5.172123 4.502954 6.948503 6.860858 7.522621 6.529995 8.363561 7.268541 3.489495 2.448466 4.775320 3.770852 4.336304 3.775539 0.000000 2.486159 8.393529 9.815266 8.557145 6.660532 6.630736 7.400776 2.185612 3.507738 4.618744 2.924316 4.241653 2.733490 1.091743 5.814221 5.328128 3.107521 5.407874 4.463605 7.385269 6.996062 7.604655 6.332312 8.637089 6.519672 3.977766 3.652934 5.133937 2.558199 3.763934 3.012440 1.772165 0.000000 4.054911 7.819201 9.501987 8.555383 6.910564 6.819773 7.291219 2.161723 2.763679 4.233906 3.495736 4.456919 2.805580 1.094400 5.226482 5.772994 4.252923 6.241326 5.604081 7.483617 7.080211 7.442526 6.663660 8.227305 6.854897 2.867248 2.760060 4.739019 3.217242 3.786782 2.580203 1.771319 1.769441 0.000000 6.565504 2.857198 4.601178 3.073907 2.672398 5.043185 4.800842 4.642031 3.517552 2.197217 4.249507 2.957106 5.411466 5.825688 1.090055 3.179200 5.318607 4.538694 5.462528 2.710059 3.324423 3.769229 4.306411 3.856547 6.310669 3.973985 3.673268 2.480191 6.259962 4.955903 5.945335 5.740261 6.686390 6.233090 0.000000 6.750013 3.402805 5.524360 4.720433 4.230701 5.638613 5.291574 4.229081 2.752380 2.158988 4.425332 3.508325 5.018507 5.204166 1.093982 4.304967 5.714370 5.636336 6.243607 4.276320 4.461362 4.549506 5.214714 4.496343 6.703261 2.854620 2.750676 2.513028 6.022437 4.753750 5.250956 5.159293 6.206943 5.319818 1.762785 0.000000 5.898868 4.494504 6.348229 4.628309 3.489557 6.079425 6.066409 3.992050 2.842589 2.171951 3.739038 2.814065 5.168505 4.801203 1.094318 3.388134 4.804064 4.543946 5.152188 4.078775 4.657331 5.243557 5.303167 5.495355 7.140565 3.511409 2.485444 3.061351 5.997081 5.076140 5.648553 4.456949 5.737789 5.203101 1.770182 1.770294 0.000000 4.503639 6.767208 7.145502 4.528015 2.621504 5.394286 6.251229 5.381922 5.754776 4.784076 3.874884 3.397958 5.996455 6.314552 5.298010 2.148845 3.372710 1.083537 2.148007 3.680747 4.286077 5.699748 4.088668 6.810521 6.154586 6.717469 6.048605 5.134917 5.998429 5.720112 7.063378 6.197425 6.443274 7.318861 5.075195 6.378131 5.241996 0.000000 2.585628 8.341655 8.961210 6.698525 4.586058 6.123098 7.236799 4.768286 5.736499 5.390075 3.400714 3.885988 5.323753 5.229850 6.316890 3.413716 2.145019 2.163549 1.082901 5.634469 5.784586 7.064498 5.093159 8.348778 6.376323 6.710765 5.996447 5.852763 4.948960 5.440841 6.369919 5.161547 4.968747 6.313618 6.500009 7.312879 6.158160 2.497973 0.000000 6.116671 4.763309 5.374121 2.414369 1.014058 5.293852 5.578000 5.625718 5.245783 3.870366 4.438483 3.216631 6.388319 6.771866 3.640882 2.099218 4.762400 2.773081 4.114830 2.003522 3.328150 4.551476 4.035598 5.164207 6.521298 6.069164 5.437045 4.190233 6.830855 5.922288 7.283586 6.583053 7.300935 7.561796 2.999944 4.650589 3.676629 2.686391 4.879418 0.000000 4.639874 5.220752 5.341366 4.169028 3.117772 2.116068 3.246659 4.432157 4.840410 3.883834 3.494839 3.057260 4.164430 5.805109 4.965378 2.707015 3.640627 2.954748 3.443195 3.048064 2.252371 3.275880 1.077005 4.729431 2.796485 5.385133 5.681682 3.489392 4.221678 3.407410 5.131236 6.252132 5.939340 6.547594 4.806641 5.751088 5.545483 3.382612 4.139954 4.022445 0.000000 8.975687 2.010427 2.006275 4.330381 5.504552 3.838863 2.530621 6.855144 6.033068 5.024273 6.873822 5.887660 6.489855 8.301866 5.096356 6.125183 7.918173 7.323018 8.156081 4.328989 3.505862 2.152092 4.311600 1.089032 4.921215 5.752426 6.818649 4.056468 7.268897 5.509820 6.705704 8.782574 8.964262 8.431342 4.638721 4.939111 6.169169 7.749664 9.121506 6.204774 5.386955 0.000000 5.922494 5.829259 6.071420 6.524473 6.011545 2.092620 2.745120 4.750486 5.175179 4.927941 4.926665 4.978004 3.473264 5.982154 6.236256 5.526748 5.484749 6.061874 6.062353 5.563485 4.163353 3.896539 3.172456 5.065833 1.090176 5.038456 6.265948 4.092599 3.566580 2.576862 3.791286 6.876435 6.058306 6.224173 6.398009 6.497581 7.080523 6.749529 6.755336 7.022252 3.499420 5.002851 0.000000 5.265587 6.402835 6.375149 6.220993 5.476107 2.075341 3.314175 4.995792 5.684389 5.224634 4.665345 4.754146 3.962698 6.217312 6.558919 4.923308 4.808114 5.097405 5.062350 5.193379 3.944288 4.195920 2.614343 5.609016 1.088040 5.878128 6.705846 4.573643 3.725773 3.179664 4.649564 6.996608 6.123960 6.734005 6.601491 7.085711 7.271148 5.622075 5.575601 6.430151 2.451075 5.838481 1.780523 0.000000 6.974576 6.161225 5.746321 6.434924 6.299027 2.094285 2.735859 6.229007 6.610578 6.042220 6.074556 5.915882 5.095111 7.533814 7.205748 6.079019 6.434075 6.481547 6.670716 5.641616 4.219150 3.918205 3.229266 5.094042 1.089963 6.579197 7.685239 5.150842 5.076584 4.150512 5.541253 8.353838 7.564974 7.890923 7.116512 7.560292 8.083352 6.921420 7.246395 7.254346 3.567624 5.073186 1.783986 1.781808 0.000000 C18H20F3N3O 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 0 331.20730959999975 AuxInfo=1/0/N:8;9;10;11;12;13;14;15;16;17;18;19;20;21;22;23;24;25;1;2;3;5;6;7;4;26;27;28;29;30;31;32;33;34;35;36;37;38;39;40;41;42;43;44;45/rA:45nF0F0F0O0N0N0N0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:4.403,.0472,-1.1518;-3.4092,-.1868,1.811;-4.8792,.0361,.18;-2.8797,-2.2041,-.4798;-.6282,-2.2518,-.6294;-1.303,1.9449,-1.385;-2.3489,2.0704,-.544;2.6897,.8131,1.2246;1.6796,.361,2.3095;.5067,-.3285,1.5766;2.4247,-.2215,.1404;1.1709,-.83,.303;2.3179,2.2068,.6726;4.1259,.8235,1.7615;-.1788,-1.3893,2.4431;.6905,-1.7033,-.6781;3.1882,-.5535,-.9644;1.5048,-2.0438,-1.7637;2.7677,-1.4793,-1.9077;-1.8124,-1.5859,-.6249;-1.7978,-.1193,-.7951;-2.6672,.8257,-.1929;-.9326,.6614,-1.5521;-3.7843,.6458,.7726;-.6504,3.1277,-1.9344;1.3485,1.1938,2.9339;2.1659,-.3732,2.9611;-.2367,.4262,1.2974;2.9631,2.4753,-.1687;1.2813,2.2308,.325;2.4373,2.9637,1.4536;4.4371,-.1794,2.0672;4.8322,1.19,1.014;4.1858,1.4794,2.6356;-1.065,-1.8126,1.9702;-.4911,-.9407,3.3907;.5135,-2.2065,2.6678;1.1324,-2.7348,-2.5107;3.4049,-1.7252,-2.748;-.7149,-3.2621,-.6329;-.1058,.3966,-2.1894;-4.1212,1.5903,1.1974;-.2376,3.7268,-1.1225;.1521,2.8005,-2.5923;-1.3729,3.7173,-2.4986; 0.3650036 0.1623334 0.1568125 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= 691 690 690 691 691 MxSgAt= 45 MxSgA2= 45. 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= 670 RedAO= T EigKep= 1.24D-06 NBF= 670 NBsUse= 667 1.00D-06 EigRej= 6.45D-07 NBFU= 667 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= 689 689 689 689 689 MxSgAt= 45 MxSgA2= 45. 1 3.06393852e+00 2.01092189e+00 -5.95730878e-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 9 9 9 8 7 7 7 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0.012095645 0.002519848 0.010592669 0.007762653 -0.007290393 -0.011488378 -0.014484663 0.003281611 -0.008661557 -0.015635093 -0.003493852 -0.016424551 -0.001690259 0.000755826 -0.005418658 0.005479782 0.007913023 0.008937988 -0.009281233 -0.014595155 0.010207084 0.001536964 -0.001097300 0.000912053 0.001373572 -0.006329949 -0.000869190 -0.002741280 -0.002538051 -0.000005296 0.002050155 0.000246930 0.001413386 -0.001926522 -0.000924194 -0.001669170 -0.003322854 -0.000892696 0.005831271 0.004954736 -0.000514426 0.000928108 -0.001791337 -0.001548284 -0.004019034 0.005639580 0.001449430 0.001636879 -0.007605557 -0.001238141 -0.006915067 -0.001799525 0.004460921 -0.002425064 0.001225714 0.005105062 0.000622476 0.010819536 0.002705615 0.013192903 -0.001180824 0.000673195 -0.005103475 -0.002246399 -0.003268208 -0.010918813 0.005423574 0.010231876 -0.002015034 0.004326144 -0.000224723 0.017295517 0.001939255 0.002032428 0.008354288 -0.000229094 -0.000582307 0.000812515 0.000470318 0.000534720 -0.000524179 -0.000077615 0.000975154 0.000506819 0.000990979 0.001741645 0.000417599 -0.001257342 0.000403985 -0.000983259 0.001115314 -0.001867030 0.000071499 0.000203785 0.000818764 -0.001818645 -0.000419016 0.002521330 0.001066770 -0.000220771 -0.002127967 0.000387779 -0.001966641 0.001524492 -0.000126811 0.000157675 -0.002262741 0.000499283 0.001929881 0.001027885 -0.000803447 -0.000971288 0.000443343 -0.000800449 0.001096531 0.000403313 0.000835151 -0.001020819 0.000298564 -0.002217917 0.000442680 -0.000716026 0.000091320 -0.000710619 -0.000700223 -0.000483489 -0.000714811 -0.001921868 0.000434221 0.002137171 0.000357219 -0.001171428 -0.001878084 0.001707354 -0.000184668 0.017295517 0.005004874 (Enter /usr/local/gaussian/gaussian16/g16/l716.exe) Closed 1 1 1 -1237.39294758282 -1237.39301300769 -0.000065424873 -1237.39301297089 0.000000036799 -1237.39301371449 -0.000000743598 -1237.39301373671 -0.000000022216 -1237.39301374698 -0.000000010275 -1237.39301374731 -0.000000000330 -1237.39301374723 0.000000000081 -1237.39301374730 -0.000000000070 -1237.39301374724 0.000000000059 -1237.39301375 10 1.232492257422e+03 -7.695871859154e+03 2.825566188562e+03 Using DIIS extrapolation, IDIIS= 1040. NGot= 3774873600 LenX= 3773888764 LenY= 3773405044 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) PT279504.800S 2022-10-25T20:12:17.000 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 F F F O N N N C C C C C C C C C C C C C C C C C C H H H H H H H H H H H H H H H H H H H H -0.179591 -0.127690 -0.134305 -0.455204 -0.299150 0.271242 -0.238710 0.624531 -0.845336 0.301800 0.244779 0.355159 -0.576339 -0.528928 -0.798359 -0.121735 -0.603074 -0.153056 0.105658 -0.134397 0.683675 -0.317854 -0.387256 -0.114903 -0.349272 0.175622 0.160471 0.216141 0.160362 0.159229 0.157914 0.159588 0.158324 0.159515 0.169003 0.160459 0.162617 0.169145 0.169805 0.381788 0.217006 0.233629 0.204338 0.200773 0.202583 -0.00000 -24.69581 -24.69387 -24.69361 -19.10637 -14.41346 -14.35528 -14.35353 -10.34550 -10.29930 -10.26113 -10.22611 -10.22425 -10.22305 -10.20786 -10.19705 -10.18904 -10.18766 -10.18506 -10.18481 -10.18404 -10.17656 -10.15795 -10.15284 -10.15231 -10.15060 -1.25929 -1.22903 -1.20294 -1.07804 -1.05450 -0.94799 -0.88284 -0.87186 -0.83219 -0.81598 -0.78294 -0.75406 -0.74659 -0.74016 -0.70536 -0.68359 -0.68114 -0.65608 -0.63596 -0.63155 -0.60562 -0.59315 -0.58173 -0.57410 -0.55571 -0.54808 -0.54520 -0.53277 -0.51768 -0.50906 -0.50153 -0.49251 -0.48103 -0.47570 -0.46470 -0.45551 -0.45020 -0.44512 -0.43820 -0.43369 -0.43156 -0.42997 -0.42204 -0.41694 -0.41265 -0.41120 -0.40570 -0.40144 -0.40090 -0.38895 -0.38532 -0.37187 -0.36660 -0.36146 -0.35904 -0.34774 -0.33555 -0.33039 -0.32621 -0.32387 -0.30957 -0.29432 -0.28787 -0.28287 -0.26847 -0.25191 -0.24135 -0.04132 -0.02589 -0.01675 -0.01314 0.00545 0.01318 0.01735 0.01925 0.02956 0.03168 0.03497 0.03647 0.04191 0.04346 0.05129 0.05301 0.05497 0.06078 0.06143 0.06330 0.06818 0.07575 0.07833 0.07937 0.08530 0.08641 0.08933 0.09241 0.09833 0.10242 0.10747 0.10932 0.11175 0.11455 0.11958 0.12024 0.12629 0.12930 0.13077 0.13256 0.13511 0.13928 0.14135 0.14623 0.15167 0.15355 0.15719 0.16085 0.16343 0.16658 0.16813 0.16841 0.16985 0.17312 0.17830 0.18061 0.18214 0.18664 0.19043 0.19172 0.19483 0.19540 0.19789 0.20235 0.20539 0.20634 0.21100 0.21322 0.21663 0.21914 0.22049 0.22262 0.22665 0.22917 0.23032 0.23404 0.23626 0.23955 0.24336 0.24492 0.24704 0.24868 0.25064 0.25183 0.25540 0.25918 0.26039 0.26272 0.26349 0.26964 0.27042 0.27291 0.27443 0.27842 0.28130 0.28748 0.28960 0.29068 0.29451 0.29771 0.30193 0.30553 0.30787 0.31001 0.31225 0.31395 0.31861 0.32534 0.32771 0.33191 0.33666 0.33987 0.34346 0.34834 0.35095 0.35166 0.35771 0.36329 0.36479 0.36706 0.36957 0.37119 0.37847 0.37933 0.38457 0.38823 0.39399 0.39923 0.40162 0.40473 0.41109 0.41675 0.42548 0.42920 0.43242 0.44017 0.44340 0.44618 0.45012 0.45738 0.45983 0.46628 0.46924 0.48088 0.48975 0.49256 0.49520 0.50326 0.51884 0.52801 0.53057 0.53571 0.53930 0.54040 0.55289 0.55669 0.56087 0.57011 0.57202 0.57372 0.58225 0.58548 0.58956 0.59288 0.60055 0.60332 0.61708 0.62080 0.62203 0.62348 0.62914 0.64456 0.65187 0.65684 0.65833 0.66532 0.66845 0.67343 0.67925 0.68673 0.69081 0.69365 0.69640 0.70020 0.70135 0.70703 0.71121 0.71673 0.72086 0.73043 0.73278 0.73710 0.74016 0.74538 0.74934 0.75431 0.76040 0.76895 0.77356 0.78087 0.78291 0.79185 0.79205 0.80066 0.80604 0.81012 0.81642 0.82239 0.82594 0.83282 0.84067 0.84600 0.85417 0.85648 0.86265 0.87568 0.88168 0.89235 0.89794 0.90209 0.91085 0.92240 0.92501 0.93276 0.94055 0.94752 0.95767 0.96039 0.97227 0.98443 0.99248 0.99994 1.00446 1.00558 1.00932 1.03944 1.04216 1.04844 1.05580 1.06667 1.07905 1.08561 1.08689 1.09803 1.10653 1.11351 1.11897 1.12591 1.14063 1.15769 1.16951 1.17952 1.19031 1.20243 1.20523 1.21044 1.22682 1.23861 1.24416 1.25472 1.26595 1.27139 1.28388 1.29841 1.31086 1.31817 1.33267 1.34254 1.35707 1.36276 1.38192 1.39624 1.40783 1.41754 1.42792 1.43753 1.44800 1.45153 1.45557 1.46482 1.46903 1.47531 1.48562 1.49253 1.50349 1.50695 1.50783 1.52179 1.52396 1.52897 1.53145 1.53657 1.54114 1.54843 1.55263 1.56044 1.56622 1.57016 1.57294 1.57891 1.58627 1.59026 1.59928 1.60124 1.60839 1.61540 1.62085 1.62524 1.62831 1.63733 1.64825 1.65442 1.66158 1.66503 1.67124 1.67330 1.67506 1.68043 1.69148 1.69765 1.70742 1.71014 1.71397 1.72059 1.73139 1.73841 1.74615 1.75561 1.76318 1.77144 1.78379 1.79145 1.79475 1.80984 1.81621 1.82393 1.83449 1.83634 1.84277 1.85410 1.86031 1.86570 1.88518 1.88822 1.90170 1.90579 1.92102 1.92873 1.93521 1.94231 1.94802 1.95608 1.96720 1.97441 1.98113 1.99247 1.99654 2.00339 2.02433 2.04171 2.04853 2.05636 2.06045 2.07062 2.07819 2.08660 2.09985 2.10126 2.11959 2.12568 2.13855 2.14322 2.15174 2.15748 2.17477 2.18096 2.18721 2.19546 2.20381 2.20803 2.22841 2.22971 2.25484 2.26741 2.27585 2.28025 2.30792 2.32717 2.33391 2.34093 2.37999 2.39690 2.40564 2.41591 2.42138 2.44374 2.45345 2.46338 2.48327 2.48882 2.49360 2.49973 2.50324 2.52151 2.53241 2.53770 2.54447 2.55729 2.55867 2.57022 2.57448 2.57563 2.58963 2.60556 2.60946 2.61918 2.62982 2.64224 2.65332 2.66798 2.67125 2.67776 2.68738 2.69383 2.70612 2.71926 2.72385 2.73453 2.74362 2.74836 2.75290 2.75930 2.76894 2.77376 2.78077 2.79628 2.80506 2.81121 2.82051 2.83565 2.85903 2.86285 2.87382 2.87661 2.89308 2.91266 2.92039 2.92548 2.93281 2.94861 2.95341 2.96900 2.97373 2.98106 2.99723 3.01449 3.01851 3.02673 3.04013 3.05442 3.07520 3.09754 3.10347 3.11895 3.13247 3.15010 3.17307 3.18555 3.20216 3.22914 3.23349 3.25843 3.26261 3.27615 3.31369 3.31986 3.34624 3.36145 3.40449 3.43142 3.45505 3.47278 3.49743 3.51562 3.54798 3.56305 3.61632 3.67268 3.68735 3.71009 3.73149 3.75950 3.77177 3.77811 3.77955 3.78486 3.79299 3.80366 3.81953 3.82657 3.83130 3.83781 3.84323 3.84529 3.85055 3.85794 3.87809 3.89472 3.90629 3.92318 3.92946 3.96916 4.01309 4.02049 4.02651 4.05327 4.08622 4.09867 4.10628 4.13133 4.14717 4.22162 4.26269 4.29955 4.31476 4.33126 4.38847 4.43408 4.46103 4.62693 4.77318 4.81107 4.87199 4.87700 4.89184 4.99421 5.10569 5.13720 5.23607 5.44760 5.79446 6.35727 6.37244 6.38254 6.40545 6.43780 6.49345 6.57363 6.69792 6.75498 23.55999 23.67308 23.80626 23.84656 23.88971 23.89378 23.93286 23.94275 23.94951 23.96717 23.98216 23.99507 24.01631 24.02388 24.07157 24.09805 24.12685 24.18028 35.53403 35.58662 35.65866 50.03135 66.76994 66.82348 66.82854 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 F F F O N N N C C C C C C C C C C C C C C C C C C H H H H H H H H H H H H H H H H H H H H -0.191115 -0.138490 -0.148973 -0.470205 -0.307359 0.209595 -0.204153 0.673312 -0.880819 0.285938 0.298349 0.338454 -0.598207 -0.525374 -0.848567 -0.075709 -0.617706 -0.135863 0.088451 -0.113438 0.762354 -0.409834 -0.330556 -0.153924 -0.320071 0.176401 0.160096 0.223524 0.162191 0.159352 0.158798 0.158811 0.158763 0.159929 0.171580 0.160887 0.163386 0.172898 0.173202 0.384420 0.221028 0.240891 0.209704 0.194645 0.203404 -0.00000 3.26287756e+00 1.81855675e+00 -1.15011682e+00 ./ancestor::cml:module[@dictRef='cc:finalization']/cml:molecule[@id='mol9999'] 8.2934 4.6223 -2.9233 9.9344 -192.9107 -137.0891 -133.8051 -16.2910 -0.7224 0.1757 -38.3091 17.5125 20.7965 -16.2910 -0.7224 0.1757 53.3791 13.9377 -29.0266 24.7286 58.5324 24.0602 4.3038 11.9067 -30.7936 8.0934 -6663.8612 -2011.8111 -1798.1818 -234.5176 -104.1598 -25.2799 -41.8585 -89.9030 -1.3179 -1435.5384 -1261.4253 -573.6517 47.4039 -46.8498 -49.0429 (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A) (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A) (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A) (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(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 -1237.3930137 4.253E-9 4.589E-6 -21.2348159,15.0557868,6.1790291,-5.0377187,-19.0739557,-3.1345522 C01 [X(C18H20F3N3O1)] 2.5083624 1.1628789 2.7626288 0.000004296 0.000000694 0.000000633 -0.000003979 0.000002901 0.000007623 -0.000008846 0.000003601 0.000000639 0.000003883 -0.000002424 0.000003845 -0.000001441 0.000001110 0.000009325 -0.000026655 -0.000005002 0.000001972 0.000018460 0.000001096 -0.000001201 0.000000699 -0.000002907 -0.000003119 0.000001469 -0.000001082 -0.000000191 -0.000002296 0.000005115 0.000006768 0.000004103 0.000003266 0.000003215 -0.000000345 -0.000001204 -0.000000250 -0.000000582 -0.000000056 0.000000087 -0.000002526 -0.000001215 0.000000249 -0.000000802 -0.000003582 -0.000002312 -0.000004203 -0.000007501 -0.000002883 -0.000003518 -0.000003999 -0.000004709 0.000002037 0.000001019 -0.000002582 0.000000983 -0.000000275 -0.000002589 -0.000003810 0.000013946 -0.000011187 -0.000005854 -0.000007486 0.000004306 -0.000003284 0.000002485 0.000005387 0.000015354 -0.000002480 -0.000000531 0.000008110 0.000000362 -0.000007925 0.000002398 0.000007946 -0.000004870 -0.000000945 -0.000000599 0.000001659 -0.000001839 -0.000002579 0.000001387 0.000001677 -0.000003030 -0.000001861 0.000000319 0.000000216 -0.000000037 -0.000001630 0.000000817 0.000001120 -0.000000557 0.000000751 0.000000884 0.000000185 -0.000002453 -0.000000255 0.000000539 -0.000001728 -0.000001107 -0.000000076 -0.000000814 0.000000425 0.000001819 -0.000002849 0.000000431 -0.000002979 -0.000000653 0.000000449 -0.000000939 -0.000002016 0.000001304 0.000001287 -0.000000617 -0.000001311 0.000001910 -0.000001444 -0.000001631 0.000000686 -0.000000267 -0.000000543 0.000001503 0.000002387 -0.000002411 -0.000001173 0.000001091 0.000001074 0.000000422 0.000001816 0.000000938 0.000002918 0.000005179 0.000001733 0.000003220 0.000002462 -0.000001945 331.20730959999975 AuxInfo=1/0/N:8;9;10;11;12;13;14;15;16;17;18;19;20;21;22;23;24;25;1;2;3;5;6;7;4;26;27;28;29;30;31;32;33;34;35;36;37;38;39;40;41;42;43;44;45/rA:45nF0F0F0O0N0N0N0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:3.8596,2.071,1.3865;-2.6191,-2.3659,-1.4777;-4.5234,-1.3158,-1.1012;-2.5371,.5477,-2.5275;-.4457,1.2302,-2.0236;-1.8538,.2642,1.9416;-2.6094,-.7875,1.5676;2.8457,-.7544,.9876;2.2715,-1.8131,.0124;1.0337,-1.1814,-.6638;2.4073,.5315,.3018;1.3486,.3054,-.5909;2.149,-.8375,2.3634;4.3625,-.9055,1.1537;.7807,-1.7498,-2.0633;.716,1.3899,-1.2069;2.8442,1.8287,.5022;1.2078,2.6847,-1.0088;2.2863,2.9119,-.1606;-1.6509,.7107,-1.6728;-1.8783,.3472,-.2598;-2.6444,-.738,.2371;-1.3863,.9585,.887;-3.3908,-1.8106,-.4735;-1.5533,.4948,3.3498;2.0357,-2.7518,.5188;3.0205,-2.0273,-.7577;.1495,-1.3719,-.0456;2.4743,-.0199,3.0128;1.0619,-.7757,2.2605;2.3957,-1.7848,2.8522;4.8781,-.7526,.2013;4.7609,-.1932,1.8788;4.5938,-1.9151,1.5072;-.1432,-1.3804,-2.5085;.7086,-2.84,-2.0071;1.6085,-1.4999,-2.7339;.7233,3.5182,-1.5035;2.6713,3.9095,.0106;-.3974,1.5718,-2.9772;-.7592,1.8238,1.021;-3.7059,-2.6097,.1959;-.9994,-.3553,3.7486;-.9473,1.3951,3.427;-2.4811,.6256,3.9068; Gaussian 16 GINC-BELVIS18 APULGAR Optimization fluindapyr CONF45 water EM64L-G16RevC.01 129 C1[X(C18H20F3N3O)] 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 0 331.20730959999975 AuxInfo=1/0/N:8;9;10;11;12;13;14;15;16;17;18;19;20;21;22;23;24;25;1;2;3;5;6;7;4;26;27;28;29;30;31;32;33;34;35;36;37;38;39;40;41;42;43;44;45/rA:45nF0F0F0O0N0N0N0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:3.8596,2.071,1.3865;-2.6191,-2.3659,-1.4777;-4.5234,-1.3158,-1.1012;-2.5371,.5477,-2.5274;-.4457,1.2302,-2.0236;-1.8538,.2642,1.9416;-2.6094,-.7875,1.5676;2.8457,-.7544,.9876;2.2715,-1.8131,.0124;1.0337,-1.1814,-.6638;2.4073,.5315,.3018;1.3486,.3054,-.5909;2.149,-.8375,2.3634;4.3625,-.9055,1.1537;.7807,-1.7498,-2.0633;.716,1.3899,-1.2069;2.8442,1.8287,.5022;1.2078,2.6847,-1.0088;2.2863,2.9119,-.1606;-1.6509,.7107,-1.6728;-1.8783,.3472,-.2598;-2.6444,-.738,.2371;-1.3863,.9585,.887;-3.3908,-1.8106,-.4735;-1.5533,.4948,3.3498;2.0357,-2.7518,.5188;3.0205,-2.0273,-.7577;.1495,-1.3719,-.0456;2.4743,-.0199,3.0128;1.0619,-.7757,2.2605;2.3957,-1.7848,2.8522;4.8781,-.7526,.2013;4.7609,-.1932,1.8788;4.5938,-1.9151,1.5072;-.1432,-1.3804,-2.5085;.7086,-2.84,-2.0071;1.6085,-1.4999,-2.7339;.7233,3.5182,-1.5035;2.6713,3.9095,.0106;-.3974,1.5718,-2.9772;-.7592,1.8238,1.021;-3.7059,-2.6097,.1959;-.9994,-.3553,3.7486;-.9473,1.3951,3.427;-2.4811,.6256,3.9068; Optimization fluindapyr CONF45 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 19 19 19 16 14 14 14 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 18.9984033 18.9984033 18.9984033 15.9949146 14.0030740 14.0030740 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 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1 1 1 0 2 2 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6.7500000 6.7500000 6.7500000 5.6000000 4.5500000 4.5500000 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 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 (Enter /usr/local/gaussian/gaussian16/g16/l101.exe) Structure from the checkpoint file: "/home/apulgar/almacen/pesticidas/gaussian_results/C2/fluindapyr/water/CONF45/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 1 2 3 4 5 5 5 6 6 6 7 8 8 8 8 9 9 9 10 10 10 11 11 12 13 13 13 14 14 14 15 15 15 16 17 18 18 19 20 21 21 22 23 24 25 25 25 17 24 24 20 16 20 40 7 23 25 22 9 11 13 14 10 26 27 12 15 28 12 17 16 29 30 31 32 33 34 35 36 37 18 19 19 38 39 21 22 23 24 41 42 43 44 45 1.3681 1.3829 1.3863 1.2419 1.429 1.3585 1.0141 1.3479 1.3463 1.4583 1.3319 1.5497 1.5219 1.5444 1.5333 1.5455 1.0923 1.0955 1.5214 1.5316 1.0955 1.4032 1.3834 1.3986 1.0937 1.0937 1.0942 1.0937 1.0917 1.0944 1.0901 1.094 1.0943 1.3991 1.387 1.3908 1.0835 1.0829 1.4766 1.4183 1.3896 1.4874 1.077 1.089 1.0902 1.088 1.09 calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|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 A81 A82 A83 A84 A85 16 16 20 7 7 23 6 9 9 9 11 11 13 8 8 8 10 10 26 9 9 9 12 12 15 8 8 12 10 10 11 8 8 8 29 29 30 8 8 8 32 32 33 10 10 10 35 35 36 5 5 12 1 1 11 16 16 19 17 17 18 4 4 5 20 20 22 7 7 21 6 6 21 2 2 2 3 3 22 6 6 6 43 43 44 5 5 5 6 6 6 7 8 8 8 8 8 8 9 9 9 9 9 9 10 10 10 10 10 10 11 11 11 12 12 12 13 13 13 13 13 13 14 14 14 14 14 14 15 15 15 15 15 15 16 16 16 17 17 17 18 18 18 19 19 19 20 20 20 21 21 21 22 22 22 23 23 23 24 24 24 24 24 24 25 25 25 25 25 25 20 40 40 23 25 25 22 11 13 14 13 14 14 10 26 27 26 27 27 12 15 28 15 28 28 12 17 17 11 16 16 29 30 31 30 31 31 32 33 34 33 34 34 35 36 37 36 37 37 12 18 18 11 19 19 19 38 38 18 39 39 5 21 21 22 23 23 21 24 24 21 41 41 3 22 42 22 42 42 43 44 45 44 45 45 128.0513 117.4608 114.4453 112.3131 120.4498 127.1096 105.243 100.7732 110.8926 111.5527 108.4777 114.6518 110.1508 107.0292 112.0482 108.822 112.4066 108.6583 107.7879 102.2816 112.36 109.1755 116.145 108.0551 108.5225 111.5836 129.4952 118.7918 110.1292 130.023 119.7677 110.765 111.196 110.0511 108.0165 108.352 108.3684 110.9904 111.6273 109.5723 108.3671 108.0991 108.0726 112.7955 109.4996 110.5011 107.6313 108.2669 107.9931 122.1902 118.0433 119.756 119.6096 117.9778 122.4121 120.6682 119.3445 119.9677 118.4125 120.0604 121.5007 120.3678 121.0866 118.5457 127.3601 128.8245 103.8078 111.3606 117.6238 130.9494 107.2581 121.266 131.4726 105.6891 110.8843 108.2551 111.6499 107.6888 112.3711 109.5486 108.3026 109.6949 109.6552 109.8279 109.7886 calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically D1 D2 D3 D4 D5 D6 D7 D8 D9 D10 D11 D12 D13 D14 D15 D16 D17 D18 D19 D20 D21 D22 D23 D24 D25 D26 D27 D28 D29 D30 D31 D32 D33 D34 D35 D36 D37 D38 D39 D40 D41 D42 D43 D44 D45 D46 D47 D48 D49 D50 D51 D52 D53 D54 D55 D56 D57 D58 D59 D60 D61 D62 D63 D64 D65 D66 D67 D68 D69 D70 D71 D72 D73 D74 D75 D76 D77 D78 D79 D80 D81 D82 D83 D84 D85 D86 D87 D88 D89 D90 D91 D92 D93 D94 D95 D96 D97 D98 D99 D100 D101 D102 D103 D104 D105 D106 D107 D108 D109 D110 D111 D112 D113 D114 D115 D116 D117 D118 D119 D120 D121 20 20 40 40 16 16 40 40 23 25 7 7 25 25 7 7 7 23 23 23 6 6 11 11 11 13 13 13 14 14 14 9 9 13 13 14 14 9 9 9 11 11 11 14 14 14 9 9 9 11 11 11 13 13 13 8 8 8 26 26 26 27 27 27 9 9 15 15 28 28 9 9 9 12 12 12 28 28 28 8 8 17 17 8 8 12 12 10 10 11 11 5 5 12 12 1 1 11 11 16 16 38 38 4 4 5 5 20 20 23 23 20 20 22 22 7 7 7 21 21 21 5 5 5 5 5 5 5 5 6 6 6 6 6 6 6 6 6 6 6 6 7 7 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 8 8 8 8 8 8 8 9 9 9 9 9 9 9 9 9 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 11 11 11 11 11 11 11 11 12 12 12 12 16 16 16 16 17 17 17 17 18 18 18 18 20 20 20 20 21 21 21 21 21 21 21 21 22 22 22 22 22 22 16 16 16 16 20 20 20 20 7 7 23 23 23 23 25 25 25 25 25 25 22 22 9 9 9 9 9 9 9 9 9 11 11 11 11 11 11 13 13 13 13 13 13 13 13 13 14 14 14 14 14 14 14 14 14 10 10 10 10 10 10 10 10 10 12 12 12 12 12 12 15 15 15 15 15 15 15 15 15 12 12 12 12 17 17 17 17 16 16 16 16 18 18 18 18 19 19 19 19 19 19 19 19 21 21 21 21 22 22 22 22 23 23 23 23 24 24 24 24 24 24 12 18 12 18 4 21 4 21 22 22 21 41 21 41 43 44 45 43 44 45 21 24 10 26 27 10 26 27 10 26 27 12 17 12 17 12 17 29 30 31 29 30 31 29 30 31 32 33 34 32 33 34 32 33 34 12 15 28 12 15 28 12 15 28 11 16 11 16 11 16 35 36 37 35 36 37 35 36 37 10 16 10 16 1 19 1 19 5 18 5 18 19 38 19 38 18 39 18 39 17 39 17 39 22 23 22 23 7 24 7 24 6 41 6 41 2 3 42 2 3 42 59.5929 -119.2287 -122.9304 58.2479 -174.6643 5.317 7.7952 -172.2235 -1.382 -177.5603 1.0685 -179.5156 176.9367 -3.6474 61.1763 -179.2595 -59.4481 -114.3892 5.1751 124.9864 1.156 178.5219 -28.1708 -151.8236 89.0808 86.5349 -37.1179 -156.2135 -150.2883 86.0589 -33.0368 19.9263 -164.3299 -96.5821 79.1616 139.845 -44.4113 -173.6434 -53.5232 66.5653 -63.8576 56.2627 176.3512 62.3754 -177.5043 -57.4159 61.8741 -177.1166 -57.4373 -51.8537 69.1557 -171.1651 -174.5278 -53.5185 66.1607 26.4196 151.6721 -87.8814 149.8515 -84.896 35.5505 -90.9395 34.313 154.7595 -14.0545 169.2763 -136.7772 46.5536 101.0665 -75.6026 174.5008 54.675 -64.1582 -68.2315 171.9427 53.1095 53.6778 -66.148 175.0189 -3.9137 173.1483 179.8333 -3.1048 3.3732 -176.3804 178.8565 -0.897 2.4689 -178.729 -173.928 4.8741 176.1524 -2.2395 -2.699 178.9092 -176.7008 1.4566 3.0566 -178.786 -1.2187 -179.3484 177.1631 -0.9665 34.9314 -146.2327 -145.0497 33.7862 178.5243 1.6148 -0.5418 -177.4513 -179.3551 1.3112 -0.3079 -179.6416 -129.8621 112.5668 -8.5567 46.8892 -70.6819 168.1946 calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|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. 0.00056 0.00198 0.00274 0.00304 0.00313 0.00396 0.00525 0.00586 0.00849 0.00936 0.00967 0.01159 0.01337 0.01662 0.01745 0.01858 0.01911 0.01958 0.02340 0.02453 0.02738 0.02964 0.03190 0.03541 0.04017 0.04083 0.04228 0.04305 0.04473 0.04512 0.04539 0.04556 0.04589 0.04625 0.04664 0.05011 0.05351 0.05587 0.05879 0.05919 0.06231 0.06841 0.07064 0.07186 0.08124 0.10490 0.10783 0.10836 0.11551 0.11810 0.11871 0.11954 0.12096 0.12204 0.12264 0.13232 0.14226 0.14401 0.14647 0.14822 0.14955 0.15240 0.15541 0.15723 0.16534 0.17503 0.17806 0.17963 0.18231 0.18711 0.18811 0.19341 0.19855 0.20057 0.20384 0.21854 0.22400 0.22610 0.23147 0.23611 0.24351 0.26052 0.26426 0.26754 0.27334 0.27743 0.29086 0.29688 0.30444 0.30974 0.31588 0.32601 0.32965 0.33006 0.33055 0.33103 0.33115 0.33250 0.33434 0.33643 0.33713 0.33941 0.34033 0.34059 0.34203 0.34346 0.34406 0.34977 0.35095 0.35732 0.35930 0.36228 0.37131 0.37499 0.37646 0.39380 0.40179 0.41461 0.41744 0.42957 0.45320 0.45359 0.46434 0.47044 0.49382 0.51244 0.55733 0.67723 0.71611 Angle between quadratic step and forces= 74.01 degrees. 1 2 0.00024956 0.00000004 0.00000003 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 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 A83 A84 A85 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 D110 D111 D112 D113 D114 D115 D116 D117 D118 D119 D120 D121 2.58537 2.61324 2.61966 2.34685 2.70037 2.56724 1.91629 2.54725 2.54423 2.75580 2.51684 2.92848 2.87600 2.91845 2.89754 2.92051 2.06417 2.07019 2.87511 2.89433 2.07025 2.65160 2.61421 2.64289 2.06670 2.06672 2.06772 2.06679 2.06309 2.06812 2.05991 2.06733 2.06796 2.64399 2.62102 2.62825 2.04759 2.04639 2.79035 2.68025 2.62594 2.81084 2.03524 2.05797 2.06013 2.05610 2.05973 2.23492 2.05008 1.99745 1.96023 2.10224 2.21848 1.83684 1.75882 1.93544 1.94696 1.89329 2.00105 1.92249 1.86801 1.95561 1.89930 1.96187 1.89645 1.88125 1.78515 1.96105 1.90547 2.02711 1.88592 1.89407 1.94750 2.26012 2.07331 1.92212 2.26933 2.09034 1.93321 1.94074 1.92075 1.88524 1.89110 1.89138 1.93715 1.94826 1.91240 1.89136 1.88668 1.88622 1.96865 1.91113 1.92861 1.87852 1.88961 1.88484 2.13262 2.06024 2.09014 2.08758 2.05910 2.13649 2.10606 2.08296 2.09383 2.06669 2.09545 2.12059 2.10081 2.11336 2.06901 2.22285 2.24841 1.81179 1.94361 2.05292 2.28550 1.87201 2.11649 2.29463 1.84462 1.93530 1.88941 1.94866 1.87952 1.96125 1.91198 1.89024 1.91454 1.91384 1.91686 1.91617 1.04009 -2.08093 -2.14554 1.01662 -3.04847 0.09280 0.13605 -3.00587 -0.02412 -3.09901 0.01865 -3.13314 3.08813 -0.06366 1.06773 -3.12867 -1.03757 -1.99647 0.09032 2.18143 0.02018 3.11579 -0.49167 -2.64982 1.55475 1.51032 -0.64783 -2.72644 -2.62303 1.50201 -0.57660 0.34778 -2.86810 -1.68568 1.38163 2.44076 -0.77512 -3.03065 -0.93416 1.16178 -1.11452 0.98197 3.07791 1.08866 -3.09804 -1.00210 1.07991 -3.09127 -1.00247 -0.90502 1.20699 -2.98740 -3.04608 -0.93407 1.15472 0.46111 2.64718 -1.53382 2.61540 -1.48171 0.62047 -1.58719 0.59887 2.70106 -0.24530 2.95443 -2.38721 0.81251 1.76394 -1.31952 3.04561 0.95426 -1.11977 -1.19086 3.00097 0.92694 0.93685 -1.15450 3.05466 -0.06831 3.02201 3.13868 -0.05419 0.05887 -3.07842 3.12164 -0.01566 0.04309 -3.11941 -3.03562 0.08507 3.07444 -0.03909 -0.04711 3.12255 -3.08401 0.02542 0.05335 -3.12040 -0.02127 -3.13022 3.09208 -0.01687 0.60967 -2.55224 -2.53160 0.58968 3.11584 0.02818 -0.00946 -3.09711 -3.13034 0.02288 -0.00537 -3.13534 -2.26652 1.96466 -0.14934 0.81837 -1.23363 2.93555 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 0.00000 -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 0.00001 -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 0.00001 -0.00001 -0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00001 0.00001 -0.00002 0.00001 -0.00001 0.00000 -0.00000 0.00001 -0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00001 -0.00000 0.00001 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00002 -0.00004 0.00004 -0.00001 -0.00001 -0.00000 0.00000 -0.00002 0.00001 -0.00000 0.00000 -0.00001 0.00000 0.00001 -0.00001 0.00001 0.00000 -0.00001 -0.00000 0.00002 -0.00002 0.00001 -0.00001 0.00001 0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00001 -0.00000 -0.00001 0.00000 -0.00000 0.00001 -0.00002 -0.00001 -0.00000 0.00000 0.00000 0.00000 0.00001 -0.00001 0.00005 -0.00004 -0.00001 0.00000 0.00006 -0.00007 0.00000 0.00002 -0.00001 0.00000 -0.00003 0.00002 0.00000 0.00001 -0.00002 0.00001 -0.00000 0.00002 -0.00001 0.00003 -0.00002 0.00000 -0.00004 0.00006 -0.00002 -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 0.00001 0.00000 -0.00000 -0.00001 -0.00001 0.00000 0.00001 -0.00001 -0.00000 -0.00001 0.00001 0.00006 -0.00005 -0.00001 0.00001 -0.00001 0.00000 0.00001 -0.00000 -0.00000 -0.00000 -0.00000 0.00001 0.00002 0.00002 -0.00004 0.00007 -0.00008 0.00001 -0.00001 0.00005 -0.00005 -0.00001 0.00003 -0.00001 0.00001 0.00001 0.00001 -0.00002 -0.00002 0.00002 0.00002 0.00001 -0.00001 -0.00000 -0.00001 -0.00001 -0.00010 -0.00013 -0.00028 -0.00030 -0.00004 -0.00008 0.00013 0.00010 -0.00014 0.00000 0.00014 0.00005 -0.00002 -0.00011 0.00007 0.00009 0.00008 0.00024 0.00026 0.00025 0.00009 0.00012 0.00005 0.00006 0.00007 0.00002 0.00003 0.00004 0.00001 0.00003 0.00004 0.00006 0.00002 0.00007 0.00003 0.00008 0.00004 0.00002 0.00002 0.00002 0.00002 0.00002 0.00002 0.00003 0.00002 0.00003 -0.00004 -0.00004 -0.00004 -0.00007 -0.00007 -0.00007 -0.00005 -0.00004 -0.00005 -0.00012 -0.00017 -0.00020 -0.00014 -0.00019 -0.00023 -0.00015 -0.00019 -0.00023 0.00016 0.00012 0.00019 0.00016 0.00020 0.00016 0.00028 0.00028 0.00027 0.00027 0.00026 0.00025 0.00031 0.00030 0.00029 -0.00014 -0.00011 -0.00010 -0.00007 0.00006 0.00007 0.00002 0.00003 0.00008 0.00011 0.00005 0.00007 0.00000 0.00001 -0.00002 -0.00002 0.00003 0.00000 0.00002 -0.00000 -0.00002 -0.00000 -0.00003 -0.00001 0.00017 0.00016 0.00020 0.00020 -0.00002 -0.00005 -0.00002 -0.00005 -0.00007 0.00003 -0.00007 0.00003 -0.00021 -0.00021 -0.00018 -0.00017 -0.00018 -0.00015 0.00002 -0.00004 0.00004 -0.00001 -0.00001 -0.00000 0.00000 -0.00002 0.00001 -0.00000 0.00000 -0.00001 0.00000 0.00001 -0.00001 0.00001 0.00000 -0.00001 -0.00000 0.00002 -0.00002 0.00001 -0.00001 0.00001 0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00001 -0.00000 -0.00001 0.00000 -0.00000 0.00001 -0.00002 -0.00001 -0.00000 0.00000 0.00000 0.00000 0.00001 -0.00001 0.00005 -0.00004 -0.00001 0.00000 0.00006 -0.00007 0.00000 0.00002 -0.00001 0.00000 -0.00003 0.00002 0.00000 0.00001 -0.00002 0.00001 -0.00000 0.00002 -0.00001 0.00003 -0.00002 0.00000 -0.00004 0.00006 -0.00002 -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 0.00001 0.00000 -0.00000 -0.00001 -0.00001 0.00000 0.00001 -0.00001 -0.00000 -0.00001 0.00001 0.00006 -0.00005 -0.00001 0.00001 -0.00001 0.00000 0.00001 -0.00000 -0.00000 -0.00000 -0.00000 0.00001 0.00002 0.00002 -0.00004 0.00007 -0.00008 0.00001 -0.00001 0.00005 -0.00005 -0.00001 0.00003 -0.00001 0.00001 0.00001 0.00001 -0.00002 -0.00002 0.00002 0.00002 0.00001 -0.00001 -0.00000 -0.00001 -0.00001 -0.00010 -0.00013 -0.00028 -0.00030 -0.00004 -0.00008 0.00013 0.00010 -0.00014 0.00000 0.00014 0.00005 -0.00002 -0.00011 0.00007 0.00009 0.00008 0.00024 0.00026 0.00025 0.00009 0.00012 0.00005 0.00006 0.00007 0.00002 0.00003 0.00004 0.00001 0.00003 0.00004 0.00006 0.00002 0.00007 0.00003 0.00008 0.00004 0.00002 0.00002 0.00002 0.00002 0.00002 0.00002 0.00003 0.00002 0.00003 -0.00004 -0.00004 -0.00004 -0.00007 -0.00007 -0.00007 -0.00005 -0.00004 -0.00005 -0.00012 -0.00017 -0.00020 -0.00014 -0.00019 -0.00023 -0.00015 -0.00019 -0.00023 0.00016 0.00012 0.00019 0.00016 0.00020 0.00016 0.00028 0.00028 0.00027 0.00027 0.00026 0.00025 0.00031 0.00030 0.00029 -0.00014 -0.00011 -0.00010 -0.00007 0.00006 0.00007 0.00002 0.00003 0.00008 0.00011 0.00005 0.00007 0.00000 0.00001 -0.00002 -0.00002 0.00003 0.00000 0.00002 -0.00000 -0.00002 -0.00000 -0.00003 -0.00001 0.00017 0.00016 0.00020 0.00020 -0.00002 -0.00005 -0.00002 -0.00005 -0.00007 0.00003 -0.00007 0.00003 -0.00021 -0.00021 -0.00018 -0.00017 -0.00018 -0.00015 2.58538 2.61320 2.61970 2.34684 2.70035 2.56724 1.91630 2.54723 2.54424 2.75579 2.51685 2.92847 2.87600 2.91846 2.89753 2.92052 2.06417 2.07018 2.87511 2.89435 2.07023 2.65161 2.61420 2.64290 2.06671 2.06673 2.06772 2.06679 2.06309 2.06812 2.05990 2.06732 2.06796 2.64401 2.62102 2.62825 2.04759 2.04639 2.79036 2.68024 2.62594 2.81084 2.03525 2.05797 2.06014 2.05611 2.05972 2.23496 2.05004 1.99744 1.96024 2.10230 2.21841 1.83684 1.75884 1.93543 1.94696 1.89326 2.00107 1.92250 1.86802 1.95559 1.89931 1.96186 1.89646 1.88125 1.78518 1.96103 1.90547 2.02707 1.88598 1.89406 1.94749 2.26013 2.07331 1.92212 2.26933 2.09034 1.93322 1.94074 1.92076 1.88524 1.89109 1.89138 1.93715 1.94827 1.91240 1.89136 1.88668 1.88622 1.96865 1.91114 1.92859 1.87852 1.88961 1.88484 2.13268 2.06020 2.09013 2.08759 2.05909 2.13650 2.10606 2.08295 2.09383 2.06669 2.09544 2.12059 2.10083 2.11338 2.06898 2.22293 2.24833 1.81180 1.94360 2.05298 2.28545 1.87199 2.11652 2.29462 1.84463 1.93530 1.88942 1.94863 1.87950 1.96126 1.91200 1.89025 1.91452 1.91384 1.91685 1.91616 1.03999 -2.08106 -2.14582 1.01631 -3.04851 0.09272 0.13618 -3.00577 -0.02426 -3.09901 0.01879 -3.13309 3.08811 -0.06377 1.06780 -3.12858 -1.03749 -1.99623 0.09058 2.18167 0.02027 3.11591 -0.49163 -2.64976 1.55483 1.51034 -0.64780 -2.72640 -2.62301 1.50204 -0.57656 0.34784 -2.86808 -1.68560 1.38166 2.44083 -0.77508 -3.03063 -0.93413 1.16181 -1.11450 0.98199 3.07793 1.08868 -3.09801 -1.00207 1.07987 -3.09130 -1.00251 -0.90509 1.20692 -2.98747 -3.04613 -0.93412 1.15468 0.46099 2.64701 -1.53402 2.61526 -1.48191 0.62025 -1.58734 0.59868 2.70083 -0.24514 2.95455 -2.38702 0.81267 1.76414 -1.31935 3.04590 0.95454 -1.11950 -1.19060 3.00123 0.92719 0.93716 -1.15420 3.05495 -0.06844 3.02190 3.13858 -0.05426 0.05894 -3.07835 3.12166 -0.01563 0.04317 -3.11930 -3.03557 0.08514 3.07444 -0.03908 -0.04713 3.12254 -3.08399 0.02543 0.05337 -3.12040 -0.02129 -3.13022 3.09205 -0.01688 0.60984 -2.55208 -2.53139 0.58988 3.11582 0.02813 -0.00947 -3.09716 -3.13041 0.02292 -0.00545 -3.13531 -2.26673 1.96445 -0.14952 0.81820 -1.23381 2.93540 |Maximum Force|RMS Force|Maximum Displacement|RMS Displacement| 0.000017 0.000003 0.001117 0.000250 0.000450 0.000300 0.001800 0.001200 YES YES YES YES -9.823647e-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 1 2 3 4 5 5 5 6 6 6 7 8 8 8 8 9 9 9 10 10 10 11 11 12 13 13 13 14 14 14 15 15 15 16 17 18 18 19 20 21 21 22 23 24 25 25 25 17 24 24 20 16 20 40 7 23 25 22 9 11 13 14 10 26 27 12 15 28 12 17 16 29 30 31 32 33 34 35 36 37 18 19 19 38 39 21 22 23 24 41 42 43 44 45 1.3681 1.3829 1.3863 1.2419 1.429 1.3585 1.0141 1.3479 1.3463 1.4583 1.3319 1.5497 1.5219 1.5444 1.5333 1.5455 1.0923 1.0955 1.5214 1.5316 1.0955 1.4032 1.3834 1.3986 1.0937 1.0937 1.0942 1.0937 1.0917 1.0944 1.0901 1.094 1.0943 1.3991 1.387 1.3908 1.0835 1.0829 1.4766 1.4183 1.3896 1.4874 1.077 1.089 1.0902 1.088 1.09 -DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-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 A81 A82 A83 A84 A85 16 16 20 7 7 23 6 9 9 9 11 11 13 8 8 8 10 10 26 9 9 9 12 12 15 8 8 12 10 10 11 8 8 8 29 29 30 8 8 8 32 32 33 10 10 10 35 35 36 5 5 12 1 1 11 16 16 19 17 17 18 4 4 5 20 20 22 7 7 21 6 6 21 2 2 2 3 3 22 6 6 6 43 43 44 5 5 5 6 6 6 7 8 8 8 8 8 8 9 9 9 9 9 9 10 10 10 10 10 10 11 11 11 12 12 12 13 13 13 13 13 13 14 14 14 14 14 14 15 15 15 15 15 15 16 16 16 17 17 17 18 18 18 19 19 19 20 20 20 21 21 21 22 22 22 23 23 23 24 24 24 24 24 24 25 25 25 25 25 25 20 40 40 23 25 25 22 11 13 14 13 14 14 10 26 27 26 27 27 12 15 28 15 28 28 12 17 17 11 16 16 29 30 31 30 31 31 32 33 34 33 34 34 35 36 37 36 37 37 12 18 18 11 19 19 19 38 38 18 39 39 5 21 21 22 23 23 21 24 24 21 41 41 3 22 42 22 42 42 43 44 45 44 45 45 128.0513 117.4608 114.4453 112.3131 120.4498 127.1096 105.243 100.7732 110.8926 111.5527 108.4777 114.6518 110.1508 107.0292 112.0482 108.822 112.4066 108.6583 107.7879 102.2816 112.36 109.1755 116.145 108.0551 108.5225 111.5836 129.4952 118.7918 110.1292 130.023 119.7677 110.765 111.196 110.0511 108.0165 108.352 108.3684 110.9904 111.6273 109.5723 108.3671 108.0991 108.0726 112.7955 109.4996 110.5011 107.6313 108.2669 107.9931 122.1902 118.0433 119.756 119.6096 117.9778 122.4121 120.6682 119.3445 119.9677 118.4125 120.0604 121.5007 120.3678 121.0866 118.5457 127.3601 128.8245 103.8078 111.3606 117.6238 130.9494 107.2581 121.266 131.4726 105.6891 110.8843 108.2551 111.6499 107.6888 112.3711 109.5486 108.3026 109.6949 109.6552 109.8279 109.7886 -DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0 D1 D2 D3 D4 D5 D6 D7 D8 D9 D10 D11 D12 D13 D14 D15 D16 D17 D18 D19 D20 D21 D22 D23 D24 D25 D26 D27 D28 D29 D30 D31 D32 D33 D34 D35 D36 D37 D38 D39 D40 D41 D42 D43 D44 D45 D46 D47 D48 D49 D50 D51 D52 D53 D54 D55 D56 D57 D58 D59 D60 D61 D62 D63 D64 D65 D66 D67 D68 D69 D70 D71 D72 D73 D74 D75 D76 D77 D78 D79 D80 D81 D82 D83 D84 D85 D86 D87 D88 D89 D90 D91 D92 D93 D94 D95 D96 D97 D98 D99 D100 D101 D102 D103 D104 D105 D106 D107 D108 D109 D110 D111 D112 D113 D114 D115 D116 D117 D118 D119 D120 20 20 40 40 16 16 40 40 23 25 7 7 25 25 7 7 7 23 23 23 6 6 11 11 11 13 13 13 14 14 14 9 9 13 13 14 14 9 9 9 11 11 11 14 14 14 9 9 9 11 11 11 13 13 13 8 8 8 26 26 26 27 27 27 9 9 15 15 28 28 9 9 9 12 12 12 28 28 28 8 8 17 17 8 8 12 12 10 10 11 11 5 5 12 12 1 1 11 11 16 16 38 38 4 4 5 5 20 20 23 23 20 20 22 22 7 7 7 21 21 5 5 5 5 5 5 5 5 6 6 6 6 6 6 6 6 6 6 6 6 7 7 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 8 8 8 8 8 8 8 9 9 9 9 9 9 9 9 9 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 11 11 11 11 11 11 11 11 12 12 12 12 16 16 16 16 17 17 17 17 18 18 18 18 20 20 20 20 21 21 21 21 21 21 21 21 22 22 22 22 22 16 16 16 16 20 20 20 20 7 7 23 23 23 23 25 25 25 25 25 25 22 22 9 9 9 9 9 9 9 9 9 11 11 11 11 11 11 13 13 13 13 13 13 13 13 13 14 14 14 14 14 14 14 14 14 10 10 10 10 10 10 10 10 10 12 12 12 12 12 12 15 15 15 15 15 15 15 15 15 12 12 12 12 17 17 17 17 16 16 16 16 18 18 18 18 19 19 19 19 19 19 19 19 21 21 21 21 22 22 22 22 23 23 23 23 24 24 24 24 24 12 18 12 18 4 21 4 21 22 22 21 41 21 41 43 44 45 43 44 45 21 24 10 26 27 10 26 27 10 26 27 12 17 12 17 12 17 29 30 31 29 30 31 29 30 31 32 33 34 32 33 34 32 33 34 12 15 28 12 15 28 12 15 28 11 16 11 16 11 16 35 36 37 35 36 37 35 36 37 10 16 10 16 1 19 1 19 5 18 5 18 19 38 19 38 18 39 18 39 17 39 17 39 22 23 22 23 7 24 7 24 6 41 6 41 2 3 42 2 3 59.5929 -119.2287 -122.9304 58.2479 -174.6643 5.317 7.7952 -172.2235 -1.382 -177.5603 1.0685 -179.5156 176.9367 -3.6474 61.1763 -179.2595 -59.4481 -114.3892 5.1751 124.9864 1.156 178.5219 -28.1708 -151.8236 89.0808 86.5349 -37.1179 -156.2135 -150.2883 86.0589 -33.0368 19.9263 -164.3299 -96.5821 79.1616 139.845 -44.4113 -173.6434 -53.5232 66.5653 -63.8576 56.2627 176.3512 62.3754 -177.5043 -57.4159 61.8741 -177.1166 -57.4373 -51.8537 69.1557 -171.1651 -174.5278 -53.5185 66.1607 26.4196 151.6721 -87.8814 149.8515 -84.896 35.5505 -90.9395 34.313 154.7595 -14.0545 169.2763 -136.7772 46.5536 101.0665 -75.6026 174.5008 54.675 -64.1582 -68.2315 171.9427 53.1095 53.6778 -66.148 175.0189 -3.9137 173.1483 179.8333 -3.1048 3.3732 -176.3804 178.8565 -0.897 2.4689 -178.729 -173.928 4.8741 176.1524 -2.2395 -2.699 178.9092 -176.7008 1.4566 3.0566 -178.786 -1.2187 -179.3484 177.1631 -0.9665 34.9314 -146.2327 -145.0497 33.7862 178.5243 1.6148 -0.5418 -177.4513 -179.3551 1.3112 -0.3079 -179.6416 -129.8621 112.5668 -8.5567 46.8892 -70.6819 -DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0 1 6-311+G(d,p) (5D, 7F) 0.10000e-02 0.10000e-05 F 695 A 670 A 670 1060 695 92 92 2400.4642178754 45 45 45 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 -0.0574923076 PCM SMD-Coulomb. Total charges None Matrix inversion Water 78.355300 1.777849 0.000000 8.358440 0.000000 9.377347 2.206998 0.000000 7.652298 3.098010 3.074463 0.000000 5.556201 4.237140 4.895003 2.256943 0.000000 6.017889 4.381192 4.345376 4.529855 4.317244 0.000000 7.074739 3.430084 3.326441 4.307839 4.652919 1.347948 0.000000 3.028145 6.208027 7.680059 6.559449 4.882541 4.902334 5.486010 0.000000 4.415423 5.142431 6.903551 5.928532 4.559591 5.005455 5.224359 1.549685 0.000000 4.771478 3.925414 5.575975 4.383376 3.138977 4.149100 4.290295 2.488530 1.545467 0.000000 2.378179 6.068476 7.308618 5.696657 3.746304 4.573472 5.339407 1.521913 2.366315 2.398546 0.000000 3.651413 4.864637 6.113046 4.348302 2.475329 4.082910 4.638890 2.419961 2.388221 1.521443 1.403166 0.000000 3.512800 6.310707 7.533506 6.913674 5.500301 4.172986 4.824765 1.544377 2.548256 3.244331 2.488207 3.267202 0.000000 3.027655 7.602654 9.176780 7.954106 6.146136 6.374262 6.985219 1.533313 2.549189 3.802647 2.571758 3.686952 2.523425 0.000000 5.998300 3.504412 5.408093 4.062258 3.222696 5.199561 5.059850 3.816204 2.556419 1.531612 3.666629 2.591189 4.722283 4.887883 0.000000 4.131834 5.030140 5.897761 3.610514 1.428972 4.217051 4.847386 3.734951 3.763753 2.647176 2.423520 1.398558 4.445441 4.913128 3.255119 0.000000 1.368117 7.166792 8.169547 6.307026 4.190621 5.156609 6.141823 2.628320 3.718946 3.701079 1.383381 2.398417 3.325098 3.194654 4.862712 2.764585 0.000000 3.625815 6.354029 6.989975 4.571365 2.424765 4.892520 5.767607 4.300711 4.733370 3.885362 2.791532 2.419895 4.966273 5.245832 4.578177 1.399141 2.386171 0.000000 2.361328 7.324822 8.070385 5.870008 3.709832 5.345054 6.374982 3.882360 4.728143 4.310083 2.427831 2.803295 4.521866 4.539872 5.255360 2.424267 1.386984 1.390812 0.000000 6.447937 3.231222 3.561565 1.241900 1.358527 3.647498 3.696420 5.426270 4.959356 3.435910 4.516653 3.214339 5.755633 6.838343 3.481297 2.506124 5.117324 3.536935 4.757523 0.000000 6.213349 3.064797 3.235773 2.369875 2.437841 2.203110 2.271913 5.008643 4.686394 3.313576 4.326168 3.244127 4.950178 6.520404 3.836709 2.952036 5.007798 3.943221 4.892004 1.476589 0.000000 7.177340 2.364593 2.378160 3.050825 3.717438 2.129510 1.331857 5.541266 5.037152 3.812747 5.209198 4.209342 5.244803 7.068642 4.248173 4.231513 6.064976 5.301625 6.147559 2.594937 1.418328 0.000000 5.385806 4.261838 4.355114 3.626514 3.070897 1.346346 2.237780 4.566669 4.671864 3.583368 3.862132 3.176563 4.231300 6.049378 4.553581 2.998353 4.336237 3.647383 4.289705 2.585352 1.389590 2.209839 0.000000 8.431769 1.382870 1.386263 3.241786 4.508099 3.535523 2.413169 6.491915 5.683138 4.473094 6.301140 5.191619 6.299538 7.973767 4.464555 5.258027 7.285069 6.453026 7.391182 3.289751 2.643754 1.487433 3.679239 0.000000 5.969796 5.711816 5.649070 5.959307 5.535501 1.458305 2.436392 5.147039 5.576160 5.060743 4.997789 4.897575 4.056486 6.463808 6.307733 5.168614 5.406178 5.605117 5.736571 5.028235 3.627282 3.521280 2.511670 4.827952 0.000000 5.228616 5.079600 6.907145 6.409124 5.336352 5.123303 5.151257 2.205794 1.092310 2.206482 3.311395 3.324086 2.660762 3.037405 3.040734 4.676898 4.651333 5.707410 5.709748 5.512083 5.052680 5.102759 5.060814 5.596186 5.606748 0.000000 4.700801 5.695517 7.585244 6.375750 4.922181 6.024623 6.216176 2.167274 1.095496 2.161453 2.836609 2.874798 3.452028 2.590898 2.607389 4.146106 4.060447 5.054914 5.029002 5.491507 5.466733 5.894408 5.571406 6.421307 6.644770 1.767591 0.000000 5.260125 3.271756 4.791037 4.130657 3.322227 3.261731 3.248970 2.952705 2.168155 1.095529 2.973398 2.132640 3.175966 4.405131 2.147579 3.049086 4.219632 4.301582 4.788487 3.197884 2.667088 2.878883 2.942661 3.592978 4.232396 2.404230 3.029757 0.000000 2.989249 7.184134 8.220304 7.492088 5.954381 4.467731 5.340631 2.186048 3.501248 4.116007 2.767342 3.789436 1.093653 2.793910 5.623859 4.783863 3.139675 5.009266 4.324492 6.285429 5.458080 5.867021 4.514533 7.054125 4.074338 3.724984 4.306377 4.072659 0.000000 4.085862 5.482073 6.541351 6.134248 4.964859 3.111985 3.736195 2.191476 2.755511 2.952379 2.712049 3.062875 1.093663 3.483627 4.441046 4.102717 3.612642 4.762789 4.578094 5.003982 4.032139 4.222876 3.299684 5.326592 3.104883 2.808280 3.809485 2.550696 1.769761 0.000000 4.377024 6.650954 7.982797 7.662573 6.398253 4.804813 5.262772 2.177407 2.842636 3.818574 3.445347 4.161797 1.094188 2.743426 5.174159 5.420075 4.333775 6.024607 5.581045 6.563484 5.700735 5.773922 5.068736 6.674233 4.586849 2.551373 3.671648 3.689671 1.773942 1.774134 0.000000 3.227172 7.850469 9.508017 8.007640 6.101139 7.027095 7.611217 2.179140 2.820357 3.963747 2.786415 3.768849 3.482755 1.093698 4.786613 4.888433 3.300058 5.172123 4.502954 6.948503 6.860858 7.522621 6.529995 8.363561 7.268541 3.489495 2.448466 4.775320 3.770852 4.336304 3.775539 0.000000 2.486159 8.393529 9.815266 8.557145 6.660532 6.630736 7.400776 2.185612 3.507738 4.618744 2.924316 4.241653 2.733490 1.091743 5.814221 5.328128 3.107521 5.407874 4.463605 7.385269 6.996062 7.604655 6.332312 8.637089 6.519672 3.977766 3.652934 5.133937 2.558199 3.763934 3.012440 1.772165 0.000000 4.054911 7.819201 9.501987 8.555383 6.910564 6.819773 7.291219 2.161723 2.763679 4.233906 3.495736 4.456919 2.805580 1.094400 5.226482 5.772994 4.252923 6.241326 5.604081 7.483617 7.080211 7.442526 6.663660 8.227305 6.854897 2.867248 2.760060 4.739019 3.217242 3.786782 2.580203 1.771319 1.769441 0.000000 6.565504 2.857198 4.601178 3.073907 2.672398 5.043185 4.800842 4.642031 3.517552 2.197217 4.249507 2.957106 5.411466 5.825688 1.090055 3.179200 5.318607 4.538694 5.462528 2.710059 3.324423 3.769229 4.306411 3.856547 6.310669 3.973985 3.673268 2.480191 6.259962 4.955903 5.945335 5.740261 6.686390 6.233090 0.000000 6.750013 3.402805 5.524360 4.720433 4.230701 5.638613 5.291574 4.229081 2.752380 2.158988 4.425332 3.508325 5.018507 5.204166 1.093982 4.304967 5.714370 5.636336 6.243607 4.276320 4.461362 4.549506 5.214714 4.496343 6.703261 2.854620 2.750676 2.513028 6.022437 4.753750 5.250956 5.159293 6.206943 5.319818 1.762785 0.000000 5.898868 4.494504 6.348229 4.628309 3.489557 6.079425 6.066409 3.992050 2.842589 2.171951 3.739038 2.814065 5.168505 4.801203 1.094318 3.388134 4.804064 4.543946 5.152188 4.078775 4.657331 5.243557 5.303167 5.495355 7.140565 3.511409 2.485444 3.061351 5.997081 5.076140 5.648553 4.456949 5.737789 5.203101 1.770182 1.770294 0.000000 4.503639 6.767208 7.145502 4.528015 2.621504 5.394286 6.251229 5.381922 5.754776 4.784076 3.874884 3.397958 5.996455 6.314552 5.298010 2.148845 3.372710 1.083537 2.148007 3.680747 4.286077 5.699748 4.088668 6.810521 6.154586 6.717469 6.048605 5.134917 5.998429 5.720112 7.063378 6.197425 6.443274 7.318861 5.075195 6.378131 5.241996 0.000000 2.585628 8.341655 8.961210 6.698525 4.586058 6.123098 7.236799 4.768286 5.736499 5.390075 3.400714 3.885988 5.323753 5.229850 6.316890 3.413716 2.145019 2.163549 1.082901 5.634469 5.784586 7.064498 5.093159 8.348778 6.376323 6.710765 5.996447 5.852763 4.948960 5.440841 6.369919 5.161547 4.968747 6.313618 6.500009 7.312879 6.158160 2.497973 0.000000 6.116671 4.763309 5.374121 2.414369 1.014058 5.293852 5.578000 5.625718 5.245783 3.870366 4.438483 3.216631 6.388319 6.771866 3.640882 2.099218 4.762400 2.773081 4.114830 2.003522 3.328150 4.551476 4.035598 5.164207 6.521298 6.069164 5.437045 4.190233 6.830855 5.922288 7.283586 6.583053 7.300935 7.561796 2.999944 4.650589 3.676629 2.686391 4.879418 0.000000 4.639874 5.220752 5.341366 4.169028 3.117772 2.116068 3.246659 4.432157 4.840410 3.883834 3.494839 3.057260 4.164430 5.805109 4.965378 2.707015 3.640627 2.954748 3.443195 3.048064 2.252371 3.275880 1.077005 4.729431 2.796485 5.385133 5.681682 3.489392 4.221678 3.407410 5.131236 6.252132 5.939340 6.547594 4.806641 5.751088 5.545483 3.382612 4.139954 4.022445 0.000000 8.975687 2.010427 2.006275 4.330381 5.504552 3.838863 2.530621 6.855144 6.033068 5.024273 6.873822 5.887660 6.489855 8.301866 5.096356 6.125183 7.918173 7.323018 8.156081 4.328989 3.505862 2.152092 4.311600 1.089032 4.921215 5.752426 6.818649 4.056468 7.268897 5.509820 6.705704 8.782574 8.964262 8.431342 4.638721 4.939111 6.169169 7.749664 9.121506 6.204774 5.386955 0.000000 5.922494 5.829259 6.071420 6.524473 6.011545 2.092620 2.745120 4.750486 5.175179 4.927941 4.926665 4.978004 3.473264 5.982154 6.236256 5.526748 5.484749 6.061874 6.062353 5.563485 4.163353 3.896539 3.172456 5.065833 1.090176 5.038456 6.265948 4.092599 3.566580 2.576862 3.791286 6.876435 6.058306 6.224173 6.398009 6.497581 7.080523 6.749529 6.755336 7.022252 3.499420 5.002851 0.000000 5.265587 6.402835 6.375149 6.220993 5.476107 2.075341 3.314175 4.995792 5.684389 5.224634 4.665345 4.754146 3.962698 6.217312 6.558919 4.923308 4.808114 5.097405 5.062350 5.193379 3.944288 4.195920 2.614343 5.609016 1.088040 5.878128 6.705846 4.573643 3.725773 3.179664 4.649564 6.996608 6.123960 6.734005 6.601491 7.085711 7.271148 5.622075 5.575601 6.430151 2.451075 5.838481 1.780523 0.000000 6.974576 6.161225 5.746321 6.434924 6.299027 2.094285 2.735859 6.229007 6.610578 6.042220 6.074556 5.915882 5.095111 7.533814 7.205748 6.079019 6.434075 6.481547 6.670716 5.641616 4.219150 3.918205 3.229266 5.094042 1.089963 6.579197 7.685239 5.150842 5.076584 4.150512 5.541253 8.353838 7.564974 7.890923 7.116512 7.560292 8.083352 6.921420 7.246395 7.254346 3.567624 5.073186 1.783986 1.781808 0.000000 C18H20F3N3O 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 0 331.20730959999975 AuxInfo=1/0/N:8;9;10;11;12;13;14;15;16;17;18;19;20;21;22;23;24;25;1;2;3;5;6;7;4;26;27;28;29;30;31;32;33;34;35;36;37;38;39;40;41;42;43;44;45/rA:45nF0F0F0O0N0N0N0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:4.403,.0472,-1.1518;-3.4092,-.1868,1.811;-4.8792,.0361,.18;-2.8797,-2.2041,-.4798;-.6282,-2.2518,-.6294;-1.303,1.9449,-1.385;-2.3489,2.0704,-.544;2.6897,.8131,1.2246;1.6796,.361,2.3095;.5067,-.3285,1.5766;2.4247,-.2215,.1404;1.1709,-.83,.303;2.3179,2.2068,.6726;4.1259,.8235,1.7615;-.1788,-1.3893,2.4431;.6905,-1.7033,-.6781;3.1882,-.5535,-.9644;1.5048,-2.0438,-1.7637;2.7677,-1.4793,-1.9077;-1.8124,-1.5859,-.6249;-1.7978,-.1193,-.7951;-2.6672,.8257,-.1929;-.9326,.6614,-1.5521;-3.7843,.6458,.7726;-.6504,3.1277,-1.9344;1.3485,1.1938,2.9339;2.1659,-.3732,2.9611;-.2367,.4262,1.2974;2.9631,2.4753,-.1687;1.2813,2.2308,.325;2.4373,2.9637,1.4536;4.4371,-.1794,2.0672;4.8322,1.19,1.014;4.1858,1.4794,2.6356;-1.065,-1.8126,1.9702;-.4911,-.9407,3.3907;.5135,-2.2065,2.6678;1.1324,-2.7348,-2.5107;3.4049,-1.7252,-2.748;-.7149,-3.2621,-.6329;-.1058,.3966,-2.1894;-4.1212,1.5903,1.1974;-.2376,3.7268,-1.1225;.1521,2.8005,-2.5923;-1.3729,3.7173,-2.4986; 0.3650036 0.1623334 0.1568125 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= 670 RedAO= T EigKep= 1.24D-06 NBF= 670 NBsUse= 667 1.00D-06 EigRej= 6.45D-07 NBFU= 667 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= 689 689 689 689 689 MxSgAt= 45 MxSgA2= 45. 1 Closed 1 1 1 -1237.39301374728 -1237.39301374719 0.000000000085 -1237.39301375 2 1.232492257373e+03 -7.695871859101e+03 2.825566188558e+03 Using DIIS extrapolation, IDIIS= 1040. NGot= 3774873600 LenX= 3773888764 LenY= 3773405044 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= 45. Will process 46 centers per pass. Symmetrizing basis deriv contribution to polar: IMax=3 JMax=2 DiffMx= 0.00D+00 Minotr: Closed shell wavefunction. IDoAtm=111111111111111111111111111111111111111111111 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. 13936 words used for storage of precomputed grid. Two-electron integrals replicated using symmetry. MDV= 3774873600 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= 830000000 NMat= 135 IRICut= 337 DoRegI=T DoRafI=T ISym2E= 2 IDoP0=3 IntGTp=3. There are 138 degrees of freedom in the 1st order CPHF. IDoFFX=6 NUNeed= 3. 135 vectors produced by pass 0 Test12= 5.29D-14 1.00D-09 XBig12= 2.46D+02 5.76D+00. AX will form 135 AO Fock derivatives at one time. 135 vectors produced by pass 1 Test12= 5.29D-14 1.00D-09 XBig12= 4.52D+01 1.55D+00. 135 vectors produced by pass 2 Test12= 5.29D-14 1.00D-09 XBig12= 4.26D-01 7.88D-02. 135 vectors produced by pass 3 Test12= 5.29D-14 1.00D-09 XBig12= 2.01D-03 4.62D-03. 135 vectors produced by pass 4 Test12= 5.29D-14 1.00D-09 XBig12= 5.00D-06 1.94D-04. 119 vectors produced by pass 5 Test12= 5.29D-14 1.00D-09 XBig12= 8.71D-09 7.32D-06. 43 vectors produced by pass 6 Test12= 5.29D-14 1.00D-09 XBig12= 1.38D-11 2.74D-07. 3 vectors produced by pass 7 Test12= 5.29D-14 1.00D-09 XBig12= 1.97D-14 1.80D-08. InvSVY: IOpt=1 It= 1 EMax= 1.42D-14 Solved reduced A of dimension 840 with 138 vectors. FullF1: Do perturbations 1 to 3. Isotropic polarizability for W= 0.000000 338.41 Bohr**3. End of Minotr F.D. properties file 721 does not exist. 365.580 24.352 340.053 -34.586 19.686 309.608 378.193 28.056 351.633 -39.643 20.595 318.533 (Enter /usr/local/gaussian/gaussian16/g16/l716.exe) PT138907.800S 2022-10-25T22:37:13.000 -24.69581 -24.69387 -24.69361 -19.10637 -14.41346 -14.35528 -14.35353 -10.34550 -10.29930 -10.26113 -10.22611 -10.22425 -10.22305 -10.20786 -10.19705 -10.18904 -10.18766 -10.18506 -10.18481 -10.18404 -10.17656 -10.15795 -10.15284 -10.15231 -10.15060 -1.25929 -1.22903 -1.20294 -1.07804 -1.05450 -0.94799 -0.88284 -0.87186 -0.83219 -0.81598 -0.78294 -0.75406 -0.74659 -0.74016 -0.70536 -0.68359 -0.68114 -0.65608 -0.63596 -0.63155 -0.60562 -0.59315 -0.58173 -0.57410 -0.55571 -0.54808 -0.54520 -0.53277 -0.51768 -0.50906 -0.50153 -0.49251 -0.48103 -0.47570 -0.46470 -0.45551 -0.45020 -0.44512 -0.43820 -0.43369 -0.43156 -0.42997 -0.42204 -0.41694 -0.41265 -0.41120 -0.40570 -0.40144 -0.40090 -0.38895 -0.38532 -0.37187 -0.36660 -0.36146 -0.35904 -0.34774 -0.33555 -0.33039 -0.32621 -0.32387 -0.30957 -0.29432 -0.28787 -0.28287 -0.26847 -0.25191 -0.24135 -0.04132 -0.02589 -0.01675 -0.01314 0.00545 0.01318 0.01735 0.01925 0.02956 0.03168 0.03497 0.03647 0.04191 0.04346 0.05129 0.05301 0.05497 0.06078 0.06143 0.06330 0.06818 0.07575 0.07833 0.07937 0.08530 0.08641 0.08933 0.09241 0.09833 0.10242 0.10747 0.10932 0.11175 0.11455 0.11958 0.12024 0.12629 0.12930 0.13077 0.13256 0.13511 0.13928 0.14135 0.14623 0.15167 0.15355 0.15719 0.16085 0.16343 0.16658 0.16813 0.16841 0.16985 0.17312 0.17830 0.18061 0.18214 0.18664 0.19043 0.19172 0.19483 0.19540 0.19789 0.20235 0.20539 0.20634 0.21100 0.21322 0.21663 0.21914 0.22049 0.22262 0.22665 0.22917 0.23032 0.23404 0.23626 0.23955 0.24336 0.24492 0.24704 0.24868 0.25064 0.25183 0.25540 0.25918 0.26039 0.26272 0.26349 0.26964 0.27042 0.27291 0.27443 0.27842 0.28130 0.28748 0.28960 0.29068 0.29451 0.29771 0.30193 0.30553 0.30787 0.31001 0.31225 0.31395 0.31861 0.32534 0.32771 0.33191 0.33666 0.33987 0.34346 0.34834 0.35095 0.35166 0.35771 0.36329 0.36479 0.36706 0.36957 0.37119 0.37847 0.37933 0.38457 0.38823 0.39399 0.39923 0.40162 0.40473 0.41109 0.41675 0.42548 0.42920 0.43242 0.44017 0.44340 0.44618 0.45012 0.45738 0.45983 0.46628 0.46924 0.48088 0.48975 0.49256 0.49520 0.50326 0.51884 0.52801 0.53057 0.53571 0.53930 0.54040 0.55289 0.55669 0.56087 0.57011 0.57202 0.57372 0.58225 0.58548 0.58956 0.59288 0.60055 0.60332 0.61708 0.62080 0.62203 0.62348 0.62914 0.64456 0.65187 0.65684 0.65833 0.66532 0.66845 0.67343 0.67925 0.68673 0.69081 0.69365 0.69640 0.70020 0.70135 0.70703 0.71121 0.71673 0.72086 0.73043 0.73278 0.73710 0.74016 0.74538 0.74934 0.75431 0.76040 0.76895 0.77356 0.78087 0.78291 0.79185 0.79205 0.80066 0.80604 0.81012 0.81642 0.82239 0.82594 0.83282 0.84067 0.84600 0.85417 0.85648 0.86265 0.87568 0.88168 0.89235 0.89794 0.90209 0.91085 0.92240 0.92501 0.93276 0.94055 0.94752 0.95767 0.96039 0.97227 0.98443 0.99248 0.99994 1.00446 1.00558 1.00932 1.03944 1.04216 1.04844 1.05580 1.06667 1.07905 1.08561 1.08689 1.09803 1.10653 1.11351 1.11897 1.12591 1.14063 1.15769 1.16951 1.17952 1.19031 1.20243 1.20523 1.21044 1.22682 1.23861 1.24416 1.25472 1.26595 1.27139 1.28388 1.29841 1.31086 1.31817 1.33267 1.34254 1.35707 1.36276 1.38192 1.39624 1.40783 1.41754 1.42792 1.43753 1.44800 1.45153 1.45557 1.46482 1.46903 1.47531 1.48562 1.49253 1.50349 1.50695 1.50783 1.52179 1.52396 1.52897 1.53145 1.53657 1.54114 1.54843 1.55263 1.56044 1.56622 1.57016 1.57294 1.57891 1.58627 1.59026 1.59928 1.60124 1.60839 1.61540 1.62085 1.62524 1.62831 1.63733 1.64825 1.65442 1.66158 1.66503 1.67124 1.67330 1.67506 1.68043 1.69148 1.69765 1.70742 1.71014 1.71397 1.72059 1.73139 1.73841 1.74615 1.75561 1.76318 1.77144 1.78379 1.79145 1.79475 1.80984 1.81621 1.82393 1.83449 1.83634 1.84277 1.85410 1.86031 1.86570 1.88518 1.88822 1.90170 1.90579 1.92102 1.92873 1.93521 1.94231 1.94802 1.95608 1.96720 1.97441 1.98113 1.99247 1.99654 2.00339 2.02433 2.04171 2.04853 2.05636 2.06045 2.07062 2.07819 2.08660 2.09985 2.10126 2.11959 2.12568 2.13855 2.14322 2.15174 2.15748 2.17477 2.18096 2.18721 2.19546 2.20381 2.20803 2.22841 2.22971 2.25484 2.26741 2.27585 2.28025 2.30792 2.32717 2.33391 2.34093 2.37999 2.39690 2.40564 2.41591 2.42138 2.44374 2.45345 2.46338 2.48327 2.48882 2.49360 2.49973 2.50324 2.52151 2.53241 2.53770 2.54447 2.55729 2.55867 2.57022 2.57448 2.57563 2.58963 2.60556 2.60946 2.61918 2.62982 2.64224 2.65332 2.66798 2.67125 2.67776 2.68738 2.69383 2.70612 2.71926 2.72385 2.73453 2.74362 2.74836 2.75290 2.75930 2.76894 2.77376 2.78077 2.79628 2.80506 2.81121 2.82051 2.83565 2.85903 2.86285 2.87382 2.87661 2.89308 2.91266 2.92039 2.92548 2.93281 2.94861 2.95341 2.96900 2.97373 2.98106 2.99723 3.01449 3.01851 3.02673 3.04013 3.05442 3.07520 3.09754 3.10347 3.11895 3.13247 3.15010 3.17307 3.18555 3.20216 3.22914 3.23349 3.25843 3.26261 3.27615 3.31369 3.31986 3.34624 3.36145 3.40449 3.43142 3.45505 3.47278 3.49743 3.51562 3.54798 3.56305 3.61632 3.67268 3.68735 3.71009 3.73149 3.75950 3.77177 3.77811 3.77955 3.78486 3.79299 3.80366 3.81953 3.82657 3.83130 3.83781 3.84323 3.84529 3.85055 3.85794 3.87809 3.89472 3.90629 3.92318 3.92946 3.96916 4.01309 4.02049 4.02651 4.05327 4.08622 4.09867 4.10628 4.13133 4.14717 4.22162 4.26269 4.29955 4.31476 4.33126 4.38847 4.43408 4.46103 4.62693 4.77318 4.81107 4.87199 4.87700 4.89184 4.99421 5.10569 5.13720 5.23607 5.44760 5.79446 6.35727 6.37244 6.38254 6.40545 6.43780 6.49345 6.57363 6.69792 6.75498 23.55999 23.67308 23.80626 23.84656 23.88971 23.89378 23.93286 23.94275 23.94951 23.96717 23.98216 23.99507 24.01631 24.02388 24.07157 24.09805 24.12685 24.18028 35.53403 35.58662 35.65866 50.03135 66.76994 66.82348 66.82854 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 F F F O N N N C C C C C C C C C C C C C C C C C C H H H H H H H H H H H H H H H H H H H H -0.191115 -0.138490 -0.148973 -0.470205 -0.307359 0.209595 -0.204153 0.673312 -0.880819 0.285938 0.298349 0.338454 -0.598207 -0.525374 -0.848568 -0.075709 -0.617706 -0.135863 0.088451 -0.113437 0.762354 -0.409834 -0.330556 -0.153924 -0.320071 0.176401 0.160096 0.223524 0.162191 0.159352 0.158798 0.158811 0.158763 0.159929 0.171580 0.160887 0.163386 0.172898 0.173202 0.384420 0.221028 0.240891 0.209704 0.194645 0.203404 -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 F F F O N N N C C C C C C C C C C C C C C C C C C -0.191115 -0.138490 -0.148973 -0.470205 0.077061 0.209595 -0.204153 0.673312 -0.544321 0.509462 0.298349 0.338454 -0.117866 -0.047871 -0.352715 -0.075709 -0.617706 0.037035 0.261652 -0.113437 0.762354 -0.409834 -0.109528 0.086968 0.287682 -0.00000 3.26287758e+00 1.81855679e+00 -1.15011669e+00 3.65579632e+02 2.43520632e+01 3.40052766e+02 -3.45857028e+01 1.96858980e+01 3.09608045e+02 -6.6100 -1.4880 -0.0007 -0.0006 0.0006 10.8712 28.5684 35.3610 41.1341 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 A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A 28.0885 35.0230 41.0587 61.3072 70.0128 83.4214 87.2946 95.1705 118.6637 122.6883 133.5812 142.6604 190.7580 207.8386 210.6662 223.6681 243.5943 264.2255 276.6498 286.2845 294.6385 302.0291 320.3814 327.4839 345.8921 367.4220 389.6414 422.8770 423.5533 432.4432 453.6304 484.6270 489.5699 519.9605 551.9038 558.9994 569.3890 583.6119 615.9286 629.9392 638.4628 667.1113 676.4738 712.9319 742.8357 771.4113 781.1463 794.5249 816.4665 829.8864 856.2008 878.1175 886.6469 928.0952 932.8865 957.0827 957.8372 960.9499 967.1851 1011.9786 1022.5368 1025.6713 1048.9856 1058.6674 1088.4036 1094.7453 1114.3626 1140.1970 1151.1639 1154.4097 1169.8121 1199.4489 1201.2117 1213.7797 1226.9152 1245.1918 1250.1618 1276.6740 1310.4427 1312.4642 1325.2634 1347.5304 1351.9303 1359.0590 1359.1619 1378.9707 1394.7536 1405.5959 1410.2150 1417.6013 1421.3377 1444.8209 1462.3555 1465.1435 1473.7734 1474.2236 1476.7543 1480.7309 1482.9031 1484.4328 1486.7829 1493.3681 1505.3513 1511.5086 1527.0080 1567.8157 1608.3615 1624.0052 1644.7386 3017.5320 3021.3003 3025.2314 3025.9083 3031.2599 3063.5708 3082.4533 3084.1812 3084.7282 3087.6200 3090.5329 3104.8003 3120.3781 3136.9398 3138.7699 3164.5397 3187.1748 3204.8042 3276.8093 3557.4144 5.3714 6.6456 4.8899 5.3829 6.5579 3.7374 1.3187 2.4421 8.1941 5.1579 5.0751 3.7105 4.5923 2.7696 2.3165 1.6804 4.4802 1.1918 1.9335 1.5168 3.8804 3.7390 3.0132 2.8465 4.5919 4.5158 4.4750 3.1446 3.8654 5.9705 2.9282 1.8898 2.9340 3.7829 5.7238 3.5066 8.1753 4.7248 3.9427 4.1534 4.3893 4.8180 4.1209 9.4853 5.6182 5.1244 5.5690 5.7974 4.7866 1.6487 2.4262 1.5199 2.8394 1.6829 2.4702 1.4868 9.5522 1.4598 1.8787 2.3908 3.0547 1.7199 1.7794 7.2321 1.8522 1.5770 2.2218 1.5483 1.3383 4.0534 1.8228 1.8841 2.0616 2.9634 2.6247 1.9648 2.9502 2.2078 1.8290 2.3965 1.5381 3.7627 2.1160 1.2533 1.5046 2.7577 1.2353 1.2266 1.2461 3.0868 3.8486 1.7773 2.3334 1.0411 1.2718 1.1288 1.0723 1.0826 1.0646 1.0520 1.1043 1.1108 2.6889 1.7265 7.4658 4.8483 6.4213 6.6931 8.7853 1.0366 1.0533 1.0458 1.0544 1.0642 1.0324 1.1019 1.1025 1.1014 1.1019 1.1028 1.1011 1.0974 1.0897 1.1070 1.1059 1.0901 1.0957 1.1008 1.0762 0.0025 0.0048 0.0049 0.0119 0.0189 0.0153 0.0059 0.0130 0.0680 0.0457 0.0534 0.0445 0.0985 0.0705 0.0606 0.0495 0.1566 0.0490 0.0872 0.0732 0.1985 0.2010 0.1822 0.1799 0.3237 0.3592 0.4003 0.3313 0.4086 0.6578 0.3550 0.2615 0.4143 0.6026 1.0272 0.6456 1.5616 0.9482 0.8813 0.9711 1.0542 1.2633 1.1111 2.8405 1.8266 1.7966 2.0021 2.1562 1.8800 0.6690 1.0479 0.6905 1.3152 0.8541 1.2666 0.8024 5.1634 0.7942 1.0354 1.4426 1.8818 1.0661 1.1536 4.7757 1.2928 1.1136 1.6256 1.1859 1.0449 3.1827 1.4697 1.5970 1.7526 2.5723 2.3279 1.7949 2.7167 2.1202 1.8506 2.4322 1.5916 4.0256 2.2786 1.3639 1.6377 3.0896 1.4159 1.4279 1.4601 3.6549 4.5808 2.1860 2.9399 1.3168 1.6276 1.4454 1.3778 1.3985 1.3793 1.3658 1.4382 1.4595 3.5901 2.3241 10.2568 7.0214 9.7868 10.4005 14.0023 5.5611 5.6650 5.6394 5.6884 5.7615 5.7088 6.1685 6.1788 6.1747 6.1893 6.2063 6.2537 6.2958 6.3180 6.4256 6.5249 6.5243 6.6304 6.9639 8.0243 1.9810 1.9533 1.6432 3.6212 1.1364 1.8365 1.5551 0.1486 1.9864 1.7324 6.1222 1.6098 0.1563 1.9478 2.3751 1.3347 5.5286 0.7259 1.9971 6.9277 14.6945 1.4611 4.2761 2.3712 4.7433 6.5333 7.9442 4.3959 37.5028 14.9959 1.4961 121.6416 58.2875 5.7617 0.6745 0.4949 1.0261 15.7627 15.8515 9.0430 27.5834 17.8626 33.7392 5.2058 13.5254 37.0368 67.1489 18.6723 92.0715 43.7715 18.8554 24.3353 32.2641 1.9801 20.0586 0.5549 402.1631 6.0549 15.0208 34.0902 113.9036 36.7924 31.2465 79.5835 30.5662 54.4858 2.8304 4.2986 2.8759 49.6163 19.4103 57.1698 63.5715 110.3276 64.4488 49.2090 5.0944 13.1982 20.8901 31.2782 3.6550 65.8692 112.2838 12.2756 14.8916 401.0697 9.3461 4.8257 1.0789 45.7656 24.0797 106.4119 44.9815 26.2183 72.0988 22.6428 1.7070 35.7083 11.8550 10.5088 27.9210 34.0332 223.8420 43.3018 75.5677 173.4916 845.5245 408.9802 9.0767 50.2575 10.7908 26.6173 45.2961 104.5224 32.4219 4.9148 16.9809 83.7384 132.2829 53.4767 51.4874 42.6690 17.3318 10.6340 4.5161 4.3766 1.4490 10.7240 140.7177 0.10 -0.13 0.01 -0.13 -0.10 -0.03 -0.07 -0.07 -0.08 0.01 -0.02 -0.05 0.01 0.04 0.01 -0.07 0.04 0.09 -0.10 -0.00 0.06 0.10 0.00 -0.04 0.05 0.09 -0.05 0.03 0.13 -0.05 0.06 -0.01 -0.02 0.03 0.05 -0.02 0.19 0.02 -0.07 0.09 -0.07 -0.01 -0.05 0.20 -0.03 0.01 0.03 0.00 0.07 -0.07 0.01 0.02 -0.03 0.03 0.04 -0.08 0.03 0.00 0.01 -0.01 -0.03 0.02 0.03 -0.08 -0.02 0.03 -0.03 0.06 0.07 -0.11 -0.07 -0.02 -0.09 0.07 0.13 0.09 0.12 -0.07 0.00 0.08 -0.02 0.08 0.17 -0.09 0.22 -0.04 -0.07 0.20 0.07 -0.09 0.22 0.02 -0.09 0.03 -0.08 0.01 0.12 -0.12 -0.01 0.11 -0.06 -0.02 -0.08 0.25 -0.02 -0.03 0.25 -0.04 -0.11 0.16 0.00 0.01 -0.05 0.05 0.05 -0.13 0.04 0.02 0.03 -0.05 -0.01 0.09 0.09 -0.14 -0.09 -0.00 -0.13 0.07 0.16 -0.06 0.11 0.15 -0.09 0.06 0.13 0.08 -0.09 0.13 0.23 -0.05 0.07 0.05 0.01 0.25 -0.00 -0.02 -0.12 -0.00 0.02 -0.10 -0.08 0.01 -0.09 -0.01 0.00 0.00 -0.03 -0.00 0.02 -0.10 0.04 -0.02 -0.08 0.06 -0.07 -0.01 0.00 0.02 -0.03 0.04 -0.04 0.05 0.01 -0.00 -0.06 -0.05 0.10 -0.13 0.08 -0.09 -0.00 0.04 -0.05 0.05 -0.04 0.07 0.04 0.01 -0.01 0.07 -0.03 0.05 -0.01 0.00 -0.09 -0.03 0.00 -0.06 0.02 -0.00 0.02 -0.10 0.01 -0.12 0.12 -0.01 0.14 -0.13 0.01 -0.14 -0.11 0.06 -0.05 -0.15 0.04 0.01 -0.05 0.08 -0.11 0.10 -0.02 0.03 0.07 0.04 -0.06 0.03 0.01 -0.00 -0.10 -0.05 0.12 -0.00 -0.07 0.14 -0.08 -0.04 0.10 -0.13 0.11 -0.11 -0.15 0.09 -0.10 -0.16 0.06 -0.07 0.07 0.00 -0.02 0.11 -0.06 0.09 0.02 0.02 -0.14 -0.15 0.01 -0.19 0.17 -0.02 0.20 -0.07 0.01 -0.17 -0.18 0.01 -0.20 -0.18 0.01 -0.08 -0.02 -0.04 -0.00 0.03 -0.12 -0.02 0.03 0.07 0.01 -0.03 0.00 -0.15 -0.02 -0.03 0.00 0.09 0.01 0.11 0.10 0.00 0.12 -0.08 0.07 -0.07 -0.06 0.07 -0.05 -0.04 0.02 -0.02 -0.04 -0.00 -0.02 -0.03 -0.01 -0.00 -0.16 0.02 -0.15 -0.08 0.18 -0.08 -0.02 0.04 0.01 -0.01 -0.05 0.02 -0.02 -0.04 0.01 0.01 -0.09 0.05 0.01 -0.10 0.05 -0.01 -0.01 -0.06 0.02 -0.00 -0.01 0.06 -0.01 0.05 0.05 0.01 0.03 0.06 -0.03 0.05 0.13 0.02 0.17 -0.07 0.09 -0.07 -0.03 0.11 -0.03 -0.05 -0.00 -0.04 -0.19 0.00 -0.18 -0.17 -0.06 -0.13 -0.19 0.07 -0.20 -0.02 0.22 -0.03 -0.10 0.19 -0.10 -0.12 0.23 -0.11 -0.00 -0.00 0.01 -0.05 0.06 -0.01 -0.00 0.06 0.05 0.02 -0.13 0.07 0.03 -0.13 0.07 -0.04 -0.03 -0.07 0.04 0.01 0.02 0.11 -0.04 0.12 0.11 -0.01 0.20 0.15 0.03 0.19 0.16 0.05 0.16 0.12 -0.14 0.10 -0.03 0.15 0.07 -0.00 -0.10 0.00 0.03 0.06 0.11 0.01 0.04 -0.11 -0.05 0.07 0.02 -0.08 0.04 -0.01 -0.04 0.01 -0.03 -0.02 -0.02 -0.03 0.01 -0.09 -0.03 0.04 -0.05 -0.00 0.02 -0.03 -0.04 -0.15 -0.05 -0.10 -0.05 0.15 -0.01 0.12 -0.17 -0.04 0.03 0.00 -0.07 0.08 -0.09 0.04 0.06 -0.02 -0.04 0.09 -0.08 0.03 0.02 0.06 0.02 -0.00 0.06 0.03 -0.05 0.04 -0.00 -0.01 0.08 0.04 -0.06 0.03 -0.02 -0.08 0.08 0.02 -0.06 -0.03 -0.05 0.01 0.01 -0.02 -0.05 -0.14 0.01 -0.16 -0.04 -0.11 -0.14 -0.14 -0.11 -0.21 -0.00 -0.13 0.03 0.19 0.03 -0.07 0.18 -0.01 -0.12 0.19 -0.04 0.17 -0.26 -0.05 0.07 -0.22 -0.04 0.21 -0.10 -0.06 0.07 -0.00 -0.06 0.12 -0.10 0.06 -0.01 0.04 -0.10 0.01 0.09 0.06 -0.15 0.04 -0.12 -0.10 0.09 0.02 -0.07 0.10 0.02 -0.10 0.06 0.02 0.04 -0.05 0.03 -0.08 -0.26 -0.12 -0.10 0.31 -0.03 0.01 0.02 -0.03 0.01 0.02 0.04 -0.08 0.02 -0.06 -0.04 0.02 -0.01 0.03 0.00 0.01 0.06 -0.01 0.03 0.06 -0.06 0.06 0.04 -0.01 0.03 0.04 -0.01 0.03 -0.02 -0.02 -0.00 0.04 0.06 -0.01 0.16 -0.12 0.06 0.02 0.01 0.03 0.03 -0.02 0.02 0.01 0.01 0.02 0.02 -0.01 0.02 0.01 0.02 0.02 0.01 0.02 0.04 0.01 0.02 0.04 -0.04 0.02 -0.02 0.02 0.01 0.06 -0.17 0.01 -0.17 0.05 -0.01 0.03 0.09 0.01 0.03 0.01 -0.09 0.11 -0.04 -0.01 -0.01 -0.03 -0.05 0.00 -0.04 -0.00 -0.01 0.08 0.08 -0.00 0.01 0.08 -0.03 0.03 0.08 -0.02 0.19 -0.18 0.07 0.15 -0.17 0.08 0.23 -0.07 0.03 -0.01 0.02 0.01 0.01 -0.02 0.02 0.01 0.02 -0.00 -0.06 0.02 -0.05 0.19 -0.02 0.26 -0.16 0.09 -0.24 -0.19 0.01 -0.19 -0.23 -0.07 -0.18 0.04 0.02 0.03 -0.11 -0.02 0.03 -0.04 0.14 -0.02 0.05 -0.06 0.20 0.04 -0.01 -0.09 0.01 -0.06 -0.00 0.04 -0.03 0.04 -0.02 0.01 -0.01 -0.04 -0.01 -0.04 -0.03 0.02 -0.08 0.00 0.02 -0.03 0.00 0.01 -0.06 -0.01 0.01 -0.00 -0.04 0.00 0.03 -0.09 0.04 -0.10 0.03 0.01 -0.08 0.04 0.02 -0.01 0.06 0.02 -0.06 0.06 0.03 -0.03 0.02 -0.04 0.06 -0.02 -0.04 0.03 0.02 -0.02 0.06 -0.03 -0.07 -0.01 -0.01 0.04 0.04 0.08 -0.08 0.05 -0.05 -0.02 -0.03 -0.06 -0.03 -0.05 -0.00 0.04 -0.10 0.00 0.02 0.01 -0.01 0.01 -0.02 -0.03 0.00 0.01 -0.04 0.00 0.02 -0.02 0.02 0.05 -0.06 -0.01 0.04 -0.10 0.08 -0.11 -0.08 0.05 -0.10 -0.12 0.01 -0.09 0.08 0.03 -0.07 0.08 0.04 -0.01 0.06 -0.02 -0.04 -0.07 -0.09 -0.04 0.06 0.06 0.05 0.46 -0.33 0.05 -0.19 -0.10 -0.27 0.02 0.19 0.40 -0.00 -0.02 -0.00 0.03 -0.00 -0.01 0.00 -0.03 0.00 -0.01 0.01 -0.05 -0.01 0.01 0.03 -0.04 0.01 -0.05 -0.03 0.01 -0.03 0.01 -0.00 0.01 0.03 -0.01 0.02 0.02 -0.00 0.03 0.00 -0.00 0.01 0.00 0.00 0.02 -0.01 -0.01 0.01 0.02 0.02 -0.01 0.03 -0.00 0.03 -0.01 0.01 0.02 -0.00 -0.01 0.01 -0.02 0.00 0.02 -0.02 -0.01 0.01 -0.01 0.01 -0.01 -0.00 0.01 -0.01 -0.01 0.00 -0.02 -0.01 0.01 -0.03 -0.00 -0.01 -0.01 0.02 0.02 0.04 0.04 -0.01 0.03 0.04 -0.01 0.00 0.02 0.00 0.04 -0.03 -0.00 -0.00 -0.02 -0.02 0.03 -0.01 -0.00 0.00 0.04 0.02 -0.02 0.01 0.02 -0.03 0.03 0.02 -0.02 0.02 -0.00 0.04 0.04 -0.01 0.04 0.03 -0.01 0.02 -0.03 0.00 0.02 -0.02 -0.01 0.00 -0.01 0.01 0.03 -0.01 0.02 -0.02 -0.01 -0.02 -0.01 0.49 -0.31 0.04 -0.32 0.02 -0.38 -0.08 0.34 0.50 -0.02 0.02 0.02 0.01 -0.01 -0.01 -0.01 -0.00 0.00 -0.01 -0.01 0.02 -0.01 0.00 -0.01 0.01 -0.01 0.01 0.01 -0.00 0.01 -0.02 0.02 -0.01 -0.11 0.15 -0.04 -0.03 -0.02 -0.00 -0.02 0.00 0.01 -0.01 0.00 0.00 0.15 0.03 -0.10 -0.05 -0.08 0.08 0.14 -0.10 0.04 -0.01 0.01 -0.01 -0.02 0.01 0.01 -0.02 0.02 -0.01 -0.02 0.02 -0.01 -0.02 -0.00 -0.00 -0.02 -0.01 -0.02 -0.01 -0.00 -0.01 -0.01 -0.01 -0.02 -0.00 -0.00 -0.00 0.04 -0.01 0.04 -0.19 0.24 -0.20 -0.13 0.28 0.13 -0.15 -0.14 -0.00 0.21 -0.07 -0.08 0.16 0.10 -0.16 0.17 0.06 -0.13 -0.16 -0.10 0.15 0.04 -0.19 0.10 -0.04 -0.04 0.05 0.25 -0.31 0.03 0.03 -0.12 0.01 0.30 0.04 0.10 -0.02 0.03 -0.02 -0.02 0.04 -0.01 -0.01 0.00 0.04 -0.01 -0.01 -0.02 0.00 -0.01 0.00 0.09 -0.06 0.06 0.02 -0.01 0.01 0.05 0.05 0.09 -0.08 0.04 -0.05 0.12 -0.21 -0.11 0.15 -0.10 -0.14 0.01 0.20 0.35 -0.02 -0.01 -0.00 0.00 0.10 -0.01 0.01 0.06 0.01 -0.05 -0.03 -0.01 -0.08 0.00 -0.02 -0.06 -0.01 -0.03 -0.04 -0.03 -0.00 -0.03 -0.04 -0.00 -0.00 -0.03 -0.03 -0.06 -0.07 0.03 -0.11 0.04 -0.01 -0.01 -0.06 0.00 -0.04 -0.02 -0.01 0.00 -0.09 0.02 -0.01 -0.06 0.01 0.04 0.09 0.12 0.11 0.08 0.01 0.09 0.04 0.02 0.07 0.12 -0.01 0.09 -0.11 -0.02 -0.11 0.14 -0.06 -0.09 0.02 -0.05 -0.10 0.02 0.01 -0.04 0.00 -0.08 0.03 -0.05 -0.01 0.01 -0.01 -0.06 -0.01 -0.02 -0.03 -0.11 -0.08 0.05 -0.03 -0.11 0.04 -0.06 -0.06 0.02 -0.11 0.05 -0.01 -0.13 0.09 -0.04 -0.14 0.03 0.04 0.02 -0.11 0.04 -0.00 -0.06 0.02 -0.09 -0.00 0.18 0.08 0.16 -0.01 0.02 -0.18 0.09 0.02 0.11 -0.10 -0.21 0.19 -0.21 -0.21 0.15 0.09 -0.09 0.18 -0.10 -0.11 0.10 0.10 0.01 0.04 -0.01 0.03 0.01 -0.16 0.04 -0.04 -0.05 -0.02 0.02 0.02 -0.02 0.01 0.03 -0.02 -0.01 -0.01 -0.04 0.00 -0.02 -0.02 -0.03 -0.03 -0.01 -0.00 -0.02 0.01 -0.04 -0.01 0.05 0.01 0.00 -0.03 -0.08 0.01 -0.01 -0.04 -0.03 0.06 -0.10 0.02 0.00 0.01 -0.01 0.13 -0.19 0.10 0.10 -0.13 0.08 0.06 0.00 -0.03 0.07 0.02 0.10 0.03 0.01 0.07 0.04 0.03 0.07 -0.02 0.05 0.03 -0.13 0.03 -0.08 -0.07 0.02 -0.06 -0.05 0.03 0.01 -0.03 -0.05 -0.05 0.08 0.00 0.02 0.06 0.05 -0.02 0.05 -0.01 0.02 -0.09 -0.10 0.01 0.01 -0.12 0.02 -0.00 -0.09 0.02 0.02 -0.08 -0.04 -0.05 -0.03 -0.05 0.01 -0.01 0.01 0.19 -0.28 0.15 0.14 -0.17 0.12 -0.01 -0.04 -0.25 0.04 0.04 0.07 -0.03 0.08 -0.04 0.09 -0.01 -0.16 -0.30 0.05 -0.30 -0.26 0.07 0.13 0.02 -0.06 0.05 -0.12 0.02 0.11 0.16 -0.07 -0.15 -0.02 -0.01 -0.11 -0.01 -0.00 0.01 0.04 -0.01 0.04 0.12 0.01 0.14 0.01 -0.02 0.01 -0.01 0.03 0.01 0.01 -0.00 0.02 0.02 -0.05 0.04 0.01 -0.03 0.04 -0.01 -0.06 -0.09 -0.01 0.04 0.03 -0.03 0.05 0.06 -0.02 0.02 -0.00 -0.01 -0.01 0.00 -0.09 0.13 -0.08 -0.08 0.12 -0.08 -0.01 -0.01 -0.02 0.03 -0.00 0.06 0.12 0.01 0.15 -0.02 -0.02 -0.01 0.03 -0.01 0.03 -0.09 -0.04 -0.17 -0.02 0.06 -0.03 -0.01 0.06 0.05 0.02 -0.01 -0.02 0.01 -0.10 -0.09 0.00 -0.10 -0.12 -0.04 -0.00 -0.14 0.00 0.07 0.12 0.00 -0.00 0.02 -0.03 0.11 -0.01 0.01 0.01 0.04 -0.08 0.11 0.01 -0.03 0.07 0.15 -0.13 0.22 -0.13 -0.12 0.19 -0.14 0.00 -0.01 -0.07 -0.09 -0.04 -0.10 -0.08 -0.02 -0.03 0.10 0.01 -0.31 -0.25 -0.07 -0.35 -0.23 -0.08 -0.03 0.02 -0.08 0.02 -0.03 -0.02 0.03 0.08 -0.05 -0.08 -0.03 -0.01 0.01 -0.03 0.03 0.01 0.02 -0.01 0.01 0.08 0.01 0.08 -0.02 0.07 -0.02 0.02 -0.00 -0.01 -0.02 0.04 -0.00 -0.07 0.13 -0.07 -0.07 0.13 -0.06 0.01 0.14 0.16 0.01 -0.04 -0.08 0.10 -0.09 -0.06 -0.04 0.05 -0.01 -0.02 0.01 -0.00 -0.00 -0.05 0.06 0.01 -0.08 0.08 -0.05 0.00 -0.01 -0.04 -0.00 -0.03 0.04 0.02 0.06 -0.06 -0.02 -0.06 0.01 -0.01 0.01 0.01 -0.03 -0.04 0.04 -0.04 0.06 0.04 -0.05 -0.08 -0.07 0.04 0.12 -0.02 0.21 0.16 -0.01 0.23 0.22 0.09 0.04 0.24 0.01 -0.09 -0.25 -0.02 0.06 -0.06 0.06 -0.18 0.02 0.03 -0.02 -0.00 0.24 -0.24 0.05 0.14 -0.12 -0.29 0.03 -0.13 0.12 0.06 -0.19 0.14 -0.01 0.02 0.03 -0.12 -0.04 -0.13 -0.05 -0.03 0.00 0.03 -0.01 -0.07 -0.00 -0.05 -0.05 0.01 -0.04 -0.05 0.05 -0.11 0.05 0.05 -0.02 -0.05 -0.05 -0.01 0.05 0.01 0.03 -0.07 0.02 -0.05 0.05 0.07 -0.02 0.07 -0.06 -0.01 -0.09 -0.05 0.04 -0.03 -0.06 0.03 -0.04 -0.04 0.01 -0.04 -0.06 0.07 -0.06 -0.03 0.03 -0.04 0.00 0.08 0.04 -0.05 -0.04 -0.02 -0.01 -0.02 -0.05 -0.00 -0.02 -0.01 -0.04 0.03 -0.03 -0.04 0.04 -0.05 -0.05 0.07 -0.06 0.05 -0.00 0.07 0.12 0.01 0.19 -0.02 0.00 -0.02 0.19 -0.00 0.26 -0.02 -0.00 -0.01 0.00 -0.06 -0.09 -0.08 0.03 -0.05 -0.05 0.05 -0.03 -0.05 -0.00 -0.02 0.01 0.11 0.05 0.00 0.14 0.04 0.03 0.03 0.08 -0.08 -0.07 -0.12 -0.04 0.02 0.02 -0.05 -0.13 0.05 -0.11 0.09 0.04 0.15 -0.08 0.04 -0.04 -0.09 -0.21 -0.05 0.05 -0.06 -0.05 0.08 -0.07 0.01 -0.04 -0.19 0.29 0.00 0.38 -0.01 -0.01 0.02 0.19 -0.03 -0.21 -0.15 -0.11 -0.25 -0.10 -0.07 0.03 0.02 -0.08 -0.08 -0.04 0.05 0.04 0.00 0.05 0.00 0.04 -0.00 -0.01 0.04 -0.05 0.15 -0.01 0.01 -0.02 0.01 -0.05 0.01 -0.01 0.02 0.02 -0.04 0.01 -0.01 -0.01 -0.01 -0.03 0.02 0.02 -0.01 0.03 0.01 -0.01 0.00 0.02 0.02 -0.05 0.03 0.10 -0.01 -0.04 -0.07 0.02 -0.03 0.04 -0.01 -0.00 -0.03 -0.04 -0.01 -0.00 -0.06 0.02 -0.04 0.05 -0.03 -0.01 0.05 -0.03 -0.08 0.05 -0.07 -0.03 0.03 0.02 -0.07 0.04 0.00 -0.02 -0.09 0.10 0.07 -0.07 0.01 -0.02 -0.05 0.02 0.01 -0.02 -0.02 -0.04 0.09 0.07 0.10 0.04 0.01 -0.09 -0.10 0.00 0.06 -0.09 0.06 0.23 0.01 -0.07 0.10 -0.08 0.13 0.03 -0.20 0.22 0.06 0.29 -0.16 0.09 -0.12 -0.21 -0.38 -0.06 -0.01 0.01 -0.08 0.04 -0.06 0.04 -0.05 0.32 0.03 0.06 -0.09 0.10 0.05 -0.08 -0.15 0.07 0.13 -0.05 0.22 0.06 -0.13 0.08 0.11 0.01 -0.04 0.09 -0.02 0.04 0.03 -0.00 0.05 0.01 0.03 0.01 0.02 0.02 -0.06 -0.01 -0.00 0.00 -0.01 0.01 -0.05 -0.01 -0.03 0.01 -0.03 -0.00 0.01 -0.01 -0.01 -0.01 0.02 -0.06 0.02 -0.03 -0.03 -0.02 0.00 -0.02 0.04 0.04 0.00 -0.07 -0.12 -0.00 0.04 0.09 0.01 -0.04 -0.00 -0.03 0.01 -0.00 0.00 0.01 -0.03 -0.01 0.03 -0.02 0.05 -0.03 -0.03 0.06 -0.03 -0.06 0.04 -0.06 -0.03 0.04 0.02 -0.05 0.04 -0.00 -0.02 -0.08 0.08 0.06 0.00 0.01 -0.01 0.02 0.02 -0.01 -0.02 -0.02 0.00 -0.11 0.04 -0.03 -0.06 0.10 0.17 0.11 0.01 0.05 0.04 -0.12 -0.34 -0.05 0.10 -0.09 0.05 -0.24 0.01 0.19 -0.24 -0.01 -0.30 0.20 -0.08 0.11 0.23 0.43 0.00 0.02 -0.04 0.00 0.04 -0.02 0.02 -0.06 0.07 0.05 0.06 -0.05 0.09 0.04 -0.07 -0.13 0.06 0.10 -0.05 0.18 0.04 -0.12 0.06 0.10 -0.03 0.06 0.11 -0.00 0.01 0.01 0.00 0.01 -0.00 -0.00 0.01 0.00 -0.00 -0.02 -0.01 -0.01 0.00 -0.01 -0.00 -0.01 -0.01 0.00 -0.02 -0.03 0.02 0.00 -0.00 -0.01 0.01 0.02 -0.03 -0.02 0.01 -0.03 -0.00 0.01 0.02 -0.04 -0.10 0.02 -0.04 -0.07 0.01 -0.01 0.02 -0.01 -0.01 -0.00 -0.01 0.01 0.03 0.01 0.02 0.01 0.02 0.02 0.01 0.00 -0.01 -0.00 0.01 -0.01 -0.01 0.01 -0.01 -0.00 0.00 0.00 -0.01 0.01 0.00 -0.00 -0.01 0.02 0.02 0.03 0.01 -0.00 0.03 0.00 -0.01 -0.01 0.01 0.05 -0.05 -0.16 -0.20 -0.01 -0.02 0.00 0.15 0.03 -0.19 0.05 -0.07 -0.20 -0.01 0.06 -0.06 0.04 -0.14 -0.00 -0.27 0.34 0.21 0.44 -0.15 0.22 -0.14 -0.25 -0.40 0.03 0.02 -0.00 0.02 0.03 0.01 -0.00 -0.02 -0.02 0.00 0.01 -0.02 0.02 0.01 -0.01 -0.04 0.01 0.03 0.00 0.04 0.03 -0.01 0.02 0.01 -0.01 0.03 0.01 0.04 0.04 -0.08 -0.13 -0.01 0.07 -0.02 -0.04 0.07 -0.03 0.02 -0.02 0.19 0.01 0.22 0.13 -0.02 0.14 0.02 -0.01 0.01 0.03 -0.01 0.01 0.01 0.02 0.01 0.01 -0.01 0.02 -0.00 0.02 0.01 0.02 -0.02 -0.01 0.03 0.03 -0.01 0.01 -0.01 -0.03 -0.02 0.03 -0.00 0.01 -0.01 0.02 -0.00 0.01 0.02 0.01 -0.02 0.03 -0.05 -0.02 -0.07 -0.08 -0.03 -0.17 -0.05 -0.04 -0.11 0.07 0.01 0.03 -0.04 -0.01 -0.09 -0.11 0.03 -0.10 0.05 -0.02 0.03 0.03 -0.03 -0.01 0.01 0.02 0.02 0.02 -0.03 -0.01 0.02 -0.03 -0.03 0.00 -0.00 -0.03 0.05 0.04 0.03 0.02 -0.00 -0.04 0.04 0.07 -0.04 0.03 -0.01 -0.06 -0.02 -0.04 -0.02 0.01 -0.00 -0.03 0.00 0.00 0.02 0.01 -0.03 0.04 -0.00 0.02 0.26 0.08 0.03 0.03 0.01 0.02 -0.11 0.14 0.15 -0.32 -0.34 0.05 -0.39 -0.40 -0.11 0.12 0.00 0.00 -0.03 -0.00 -0.00 -0.00 -0.00 -0.01 0.00 -0.00 0.00 -0.01 -0.00 0.01 0.05 0.00 0.00 0.00 0.00 0.01 0.01 0.01 -0.00 0.00 -0.00 -0.00 -0.01 0.01 -0.00 -0.02 0.02 -0.01 0.00 0.02 -0.00 -0.00 0.01 -0.01 -0.03 -0.02 0.02 0.07 -0.01 -0.01 -0.04 0.01 -0.00 0.01 0.01 -0.00 -0.01 -0.01 -0.01 0.01 -0.01 -0.00 -0.01 -0.00 0.01 0.01 -0.01 0.00 -0.00 -0.01 0.01 0.00 -0.01 0.00 -0.00 -0.01 0.00 0.00 0.01 -0.01 -0.01 -0.00 0.00 -0.02 -0.01 0.00 -0.00 0.01 -0.00 -0.03 -0.13 -0.13 -0.17 -0.06 0.04 0.18 0.23 0.04 -0.11 0.16 -0.05 -0.36 -0.04 0.50 0.27 -0.19 -0.36 0.37 0.03 -0.04 -0.08 -0.07 -0.01 -0.06 0.01 0.01 0.00 -0.01 -0.01 0.01 -0.02 -0.00 -0.02 -0.00 0.01 0.09 -0.01 -0.00 -0.01 -0.01 -0.00 0.01 0.02 -0.00 -0.02 0.00 -0.02 -0.01 0.01 -0.01 -0.01 0.00 -0.02 -0.04 0.01 0.01 -0.02 -0.01 -0.00 -0.00 0.01 -0.02 0.01 -0.00 0.00 -0.07 0.01 0.01 0.02 0.01 0.01 0.02 -0.02 0.00 -0.02 -0.00 0.00 -0.03 0.01 -0.02 0.00 -0.00 -0.01 -0.03 0.00 -0.04 -0.01 -0.02 0.03 0.05 -0.05 -0.00 0.08 0.06 0.09 0.19 0.01 -0.02 -0.04 0.00 -0.02 -0.03 0.01 -0.02 -0.04 0.02 -0.03 -0.02 -0.00 -0.00 -0.02 -0.02 0.00 -0.01 -0.01 0.01 -0.00 -0.02 0.00 -0.01 -0.01 0.01 -0.01 -0.00 0.00 -0.01 -0.01 -0.00 -0.04 0.00 0.01 -0.03 -0.01 -0.04 -0.01 0.12 0.18 0.21 0.04 -0.03 -0.15 -0.25 -0.06 0.16 -0.01 -0.04 -0.09 -0.01 0.19 0.21 -0.17 -0.17 0.21 -0.12 0.21 0.42 0.38 0.18 0.25 0.00 -0.00 0.05 0.01 -0.01 -0.05 0.03 -0.03 -0.01 -0.01 0.00 -0.14 -0.02 -0.00 -0.02 -0.02 0.00 -0.00 0.01 0.01 -0.02 -0.01 -0.00 -0.02 -0.01 -0.00 0.00 0.01 -0.04 -0.07 0.03 0.01 -0.03 0.01 0.01 -0.02 0.05 -0.07 0.00 0.03 0.02 -0.02 -0.00 0.01 0.01 0.00 0.02 0.01 -0.02 -0.00 0.02 -0.04 0.04 0.02 -0.01 -0.01 0.01 0.01 -0.00 0.01 0.01 -0.01 0.01 -0.06 -0.01 0.04 -0.01 -0.04 -0.00 -0.00 0.01 0.05 0.02 0.01 -0.01 0.01 -0.01 0.00 0.01 0.01 -0.01 0.01 -0.00 0.00 0.01 -0.01 0.00 -0.03 0.00 0.01 -0.01 0.02 0.00 -0.02 0.01 0.01 -0.01 0.02 -0.00 -0.01 0.01 -0.00 -0.08 0.07 -0.05 -0.07 0.08 0.09 -0.03 -0.03 -0.01 -0.41 -0.18 -0.29 -0.21 0.10 0.51 0.40 0.06 -0.09 -0.10 -0.02 0.13 -0.00 -0.22 -0.08 0.07 0.08 -0.10 -0.07 0.07 0.11 0.10 0.02 0.08 -0.03 -0.03 -0.02 -0.00 0.02 -0.02 0.01 0.00 0.00 0.03 0.02 -0.07 -0.02 -0.00 0.01 -0.02 0.01 0.01 -0.00 0.02 -0.01 -0.02 0.01 -0.01 -0.02 0.00 0.00 -0.01 -0.01 -0.03 -0.13 -0.06 0.09 -0.06 -0.05 0.09 -0.09 0.22 0.02 -0.04 -0.02 -0.13 0.02 -0.02 -0.04 0.01 -0.06 -0.03 0.02 0.01 0.02 0.02 0.01 0.01 0.02 0.00 0.01 0.01 -0.01 0.01 -0.01 -0.02 -0.01 0.06 0.05 0.06 0.01 0.10 0.06 0.02 0.03 0.04 -0.02 -0.02 -0.03 -0.00 -0.01 0.00 -0.00 -0.00 -0.02 0.00 -0.01 0.00 -0.00 0.04 -0.06 0.09 -0.00 -0.05 0.04 -0.08 -0.02 0.07 -0.00 -0.05 0.01 -0.08 0.01 0.05 -0.04 -0.04 0.01 0.01 0.00 0.02 0.01 0.01 0.02 0.00 0.01 -0.18 -0.11 -0.17 -0.05 0.22 0.43 0.48 0.06 -0.01 0.03 0.17 0.24 0.03 0.01 0.03 -0.05 0.25 -0.04 -0.04 0.09 0.09 0.13 0.02 0.07 -0.01 -0.02 -0.03 0.01 0.01 -0.04 0.01 -0.01 0.00 -0.06 -0.02 -0.09 0.09 0.02 -0.04 0.08 -0.03 -0.05 0.06 -0.04 -0.04 0.06 -0.07 -0.02 0.08 -0.02 -0.06 0.07 0.01 -0.00 -0.10 -0.05 0.03 -0.08 -0.07 0.09 0.03 0.09 -0.03 0.04 0.04 0.16 0.01 0.05 0.00 0.03 0.04 0.05 -0.04 -0.01 -0.02 -0.06 0.03 -0.02 -0.00 -0.03 -0.04 0.03 0.01 -0.01 0.06 -0.03 0.00 -0.13 -0.03 -0.00 -0.02 -0.16 -0.08 -0.01 0.01 0.01 0.06 -0.02 0.03 0.06 0.03 -0.01 0.05 0.01 0.00 0.04 0.04 -0.01 0.05 0.06 -0.00 -0.02 0.05 -0.07 -0.02 0.02 -0.00 -0.04 0.05 -0.07 -0.05 -0.04 0.02 0.11 -0.04 -0.09 -0.12 0.07 -0.10 -0.08 0.09 0.06 -0.02 -0.07 -0.10 -0.13 0.08 0.04 -0.12 -0.16 -0.06 -0.28 -0.04 0.02 -0.15 -0.22 -0.16 -0.02 -0.24 -0.11 0.13 -0.21 -0.06 -0.05 0.03 0.07 0.05 0.06 0.01 -0.03 -0.01 0.02 0.05 0.01 -0.00 0.03 0.05 -0.03 -0.01 0.04 0.38 -0.06 0.04 -0.10 -0.05 -0.04 0.01 0.18 -0.01 -0.14 0.08 -0.19 -0.05 0.19 -0.01 -0.15 0.00 -0.02 0.01 0.02 0.00 -0.02 -0.01 -0.01 -0.00 0.02 -0.02 0.00 0.00 -0.02 -0.01 -0.02 0.03 0.01 0.00 0.04 0.04 -0.02 0.04 -0.01 -0.05 0.03 0.00 0.01 -0.13 0.02 0.01 -0.02 0.03 0.06 -0.14 0.06 0.15 0.12 0.06 0.03 0.12 -0.12 -0.13 -0.07 0.02 0.04 -0.09 0.02 0.00 -0.02 0.02 0.01 -0.01 -0.03 -0.00 0.02 -0.02 0.00 0.01 -0.01 -0.05 0.02 -0.01 -0.03 0.04 0.01 -0.06 0.02 -0.02 -0.03 0.02 0.01 0.03 -0.01 -0.02 -0.17 0.06 -0.10 -0.01 0.15 0.10 0.01 -0.17 -0.08 0.26 0.11 0.14 0.18 0.31 -0.01 0.21 0.03 0.14 0.17 0.15 -0.18 -0.10 0.22 -0.19 0.06 0.11 -0.11 -0.20 0.09 -0.00 -0.07 -0.05 0.02 -0.27 -0.20 0.00 -0.01 0.05 -0.08 -0.01 0.08 -0.04 -0.05 -0.01 0.04 -0.08 0.00 -0.04 -0.06 -0.00 0.03 0.05 -0.00 -0.04 0.01 -0.06 -0.01 0.05 0.01 -0.04 0.01 0.05 0.14 0.03 0.01 -0.03 -0.00 -0.00 -0.02 -0.03 0.00 -0.02 -0.01 -0.03 0.14 -0.01 0.02 0.02 0.00 0.03 0.04 0.00 -0.01 -0.06 0.05 -0.11 -0.08 0.02 -0.04 -0.07 -0.02 0.02 -0.09 0.01 -0.03 -0.07 0.04 0.03 0.00 -0.05 0.04 0.08 0.04 0.04 0.03 0.01 -0.08 -0.02 -0.01 0.04 -0.07 0.03 -0.07 -0.02 0.01 0.01 -0.06 -0.02 -0.01 0.03 -0.04 0.01 0.00 -0.02 0.03 0.01 -0.05 0.01 -0.01 -0.02 0.02 -0.00 0.00 -0.01 -0.01 0.10 -0.20 0.06 0.10 -0.21 -0.22 0.04 -0.01 -0.05 -0.10 -0.06 -0.13 -0.02 0.16 0.21 0.31 0.02 -0.03 -0.15 0.11 0.39 0.07 -0.19 0.09 -0.15 0.27 -0.09 0.05 -0.05 0.09 0.03 0.16 -0.03 0.06 0.09 0.14 0.08 -0.13 0.01 0.01 -0.01 -0.06 -0.06 -0.03 0.21 -0.07 -0.01 -0.02 -0.05 0.00 0.02 0.02 0.00 -0.02 -0.01 -0.04 -0.00 0.02 -0.00 -0.02 -0.08 -0.09 -0.02 -0.08 -0.04 0.02 -0.04 -0.04 0.07 0.20 -0.11 0.01 0.10 0.04 -0.04 0.01 0.08 -0.02 0.01 0.06 0.00 -0.03 0.01 -0.00 0.05 -0.11 0.05 -0.04 -0.01 0.10 -0.09 0.07 -0.02 -0.09 0.09 0.01 0.08 0.00 -0.12 -0.06 0.02 0.04 -0.06 -0.05 0.07 0.02 0.06 -0.00 -0.12 0.02 -0.03 -0.01 -0.02 0.02 -0.05 -0.02 -0.01 0.12 0.02 -0.02 0.03 0.05 -0.04 0.02 0.03 -0.01 0.01 0.09 -0.04 -0.01 -0.02 0.01 0.10 0.03 -0.08 0.16 -0.22 0.25 0.15 -0.24 -0.16 -0.03 0.04 0.21 0.17 -0.17 -0.11 0.11 0.06 -0.20 0.12 0.09 -0.21 -0.06 0.04 0.09 -0.02 0.02 0.07 -0.11 0.05 0.03 -0.02 -0.08 0.01 -0.15 -0.05 0.05 -0.06 -0.03 0.13 -0.04 -0.09 0.10 0.01 -0.06 0.05 0.10 0.04 -0.09 0.01 0.11 -0.04 -0.00 -0.01 0.00 0.15 0.05 -0.11 0.08 -0.07 -0.05 0.15 0.06 -0.12 0.18 -0.03 -0.12 0.04 0.02 -0.01 0.01 0.02 -0.03 -0.11 0.09 -0.00 -0.04 0.00 -0.02 0.00 -0.06 0.01 0.01 -0.04 0.01 -0.07 0.07 -0.01 0.03 -0.10 0.04 0.01 -0.11 0.10 -0.01 0.12 -0.04 0.01 0.01 0.03 0.03 0.05 -0.15 -0.09 -0.07 0.00 -0.11 -0.06 0.10 -0.01 0.02 0.03 0.07 0.15 -0.02 0.07 0.05 0.07 0.06 0.07 0.07 -0.06 0.01 0.00 -0.02 -0.03 0.01 -0.01 -0.03 0.00 -0.01 -0.06 0.00 0.00 0.00 -0.01 -0.05 -0.03 0.05 0.05 -0.21 0.20 0.17 -0.15 -0.12 0.03 -0.08 0.12 0.10 -0.14 -0.16 0.05 0.08 -0.22 0.06 0.17 -0.27 -0.22 -0.12 -0.03 -0.03 -0.14 0.02 -0.02 -0.11 0.03 -0.12 0.01 0.05 -0.14 0.01 0.05 -0.21 -0.12 0.19 0.14 0.00 0.07 0.09 -0.01 0.11 -0.02 0.00 -0.09 -0.02 -0.07 -0.01 0.00 0.00 -0.01 -0.08 -0.04 0.06 -0.04 0.04 0.03 -0.09 -0.04 0.08 0.04 -0.09 0.03 0.03 0.02 -0.05 -0.04 -0.01 0.00 0.00 0.04 0.03 -0.01 -0.09 -0.15 -0.02 0.02 0.00 0.02 0.02 0.06 0.04 -0.01 0.04 0.03 0.07 0.05 0.03 0.08 0.03 -0.01 0.02 0.01 -0.01 -0.01 0.04 -0.05 -0.05 0.00 0.05 -0.01 0.04 0.05 0.02 -0.06 0.05 -0.17 0.12 -0.09 0.14 -0.08 0.09 -0.17 0.14 -0.11 0.19 -0.11 0.02 -0.01 -0.03 -0.01 0.01 0.01 -0.01 0.02 0.02 -0.07 0.01 -0.05 -0.04 0.01 -0.02 0.01 -0.00 -0.01 0.03 0.13 -0.02 -0.02 0.10 0.11 0.04 0.09 0.02 -0.07 -0.01 -0.00 -0.05 -0.16 -0.01 -0.13 -0.01 -0.02 0.05 -0.02 0.02 0.06 0.00 0.06 0.04 -0.03 0.06 0.07 0.04 -0.13 0.02 -0.10 -0.02 0.07 0.01 -0.15 0.16 -0.30 0.22 -0.18 0.31 -0.19 -0.09 -0.08 -0.40 -0.11 -0.01 -0.09 -0.06 0.00 -0.01 0.01 -0.00 -0.01 0.01 -0.04 0.01 0.03 0.01 -0.03 -0.05 0.01 0.04 -0.02 -0.02 0.02 0.03 0.00 0.00 -0.00 -0.04 0.02 -0.02 -0.00 -0.09 0.01 0.02 -0.00 -0.02 0.01 -0.03 0.00 0.12 -0.09 0.13 0.05 -0.01 0.14 -0.01 0.06 0.02 0.00 -0.01 0.08 -0.10 0.09 -0.08 0.15 -0.04 -0.06 -0.10 0.07 -0.01 -0.00 -0.08 0.01 -0.05 0.06 0.00 -0.07 0.01 -0.06 0.04 -0.01 -0.02 -0.05 0.00 -0.02 -0.01 -0.04 -0.02 0.00 -0.03 -0.01 0.01 -0.02 0.01 0.02 0.02 0.01 -0.00 0.02 0.01 0.02 -0.01 0.14 0.02 0.04 0.25 0.08 -0.07 0.18 0.01 -0.01 -0.16 0.24 -0.07 -0.11 0.10 0.03 -0.09 0.12 -0.01 -0.35 -0.18 0.10 0.16 -0.24 0.21 -0.08 -0.15 0.11 0.02 0.14 -0.25 -0.10 -0.09 -0.07 -0.12 -0.11 -0.09 -0.15 0.16 -0.08 -0.06 -0.03 -0.04 -0.04 -0.00 0.06 0.04 0.02 0.05 0.02 -0.00 0.03 0.02 0.02 -0.02 0.00 0.00 -0.02 0.01 0.02 -0.01 0.05 -0.01 -0.01 -0.02 -0.03 0.13 0.13 0.07 -0.07 -0.03 -0.07 0.02 -0.04 -0.01 -0.05 -0.03 0.07 0.09 -0.17 0.00 -0.07 0.00 -0.02 0.02 -0.02 -0.00 0.00 -0.02 0.00 -0.01 -0.00 0.01 -0.00 -0.01 0.00 -0.01 0.01 -0.03 0.01 0.02 0.02 -0.01 0.01 0.01 0.03 -0.01 -0.03 0.01 -0.00 0.06 -0.02 0.04 -0.05 0.04 -0.01 0.06 -0.01 -0.05 -0.03 -0.09 -0.08 -0.01 -0.14 -0.07 -0.03 -0.08 0.05 0.09 0.12 0.08 -0.03 0.07 0.06 -0.04 -0.05 -0.03 0.01 -0.01 -0.05 -0.00 0.03 -0.03 -0.01 -0.01 0.02 -0.05 0.01 0.02 -0.04 -0.01 0.00 -0.02 -0.00 0.07 0.03 -0.01 -0.02 0.05 -0.03 0.02 0.03 -0.02 -0.01 0.00 0.07 0.05 0.03 0.03 0.02 0.01 0.01 0.10 -0.11 0.07 -0.01 0.06 -0.02 -0.04 -0.01 0.65 0.20 0.18 0.27 0.13 -0.02 0.09 0.18 0.02 -0.15 -0.02 -0.22 -0.05 0.11 -0.03 -0.10 -0.09 -0.03 -0.01 0.17 0.10 -0.01 -0.06 0.08 -0.13 0.07 0.19 -0.02 0.09 -0.02 -0.02 -0.16 -0.00 0.12 -0.11 -0.09 0.19 -0.00 0.03 0.00 0.03 0.00 0.02 -0.00 0.03 0.03 -0.02 0.00 0.02 -0.02 0.03 0.01 -0.01 0.02 -0.02 -0.01 -0.01 0.01 0.00 -0.00 -0.01 0.05 0.03 -0.02 -0.04 -0.07 0.04 -0.01 0.04 -0.06 0.02 -0.05 -0.00 0.14 0.03 -0.06 0.07 -0.03 -0.01 -0.02 -0.14 0.03 -0.09 0.06 -0.01 -0.01 -0.05 -0.05 0.01 -0.22 0.00 0.06 -0.02 0.08 0.05 -0.03 -0.03 0.00 0.05 0.06 -0.00 0.01 -0.02 -0.01 0.01 -0.03 -0.02 0.04 -0.03 -0.05 -0.03 0.00 0.02 -0.03 0.03 0.00 -0.03 0.03 0.02 -0.00 -0.04 -0.03 -0.05 0.01 0.02 0.01 -0.03 -0.08 0.09 -0.08 0.05 -0.02 0.02 0.09 -0.02 0.28 -0.12 0.18 -0.09 0.01 -0.02 -0.10 0.15 -0.17 -0.11 -0.04 -0.52 0.08 0.18 -0.15 -0.14 0.02 0.01 -0.08 -0.00 0.00 -0.02 -0.01 -0.01 0.01 -0.01 -0.03 0.01 -0.02 -0.09 -0.03 -0.02 0.04 -0.01 -0.00 0.03 0.02 -0.08 0.02 0.02 -0.02 -0.10 -0.02 -0.07 0.10 -0.07 0.02 -0.06 0.09 -0.02 -0.04 0.02 0.04 0.05 -0.01 -0.08 -0.01 -0.05 0.11 0.06 -0.05 -0.00 -0.10 0.07 0.08 -0.06 0.14 -0.00 0.06 0.02 -0.01 0.07 0.07 0.00 -0.04 -0.00 0.02 0.00 0.01 0.01 0.02 0.01 -0.01 0.03 -0.00 -0.01 0.01 -0.00 0.03 0.03 -0.02 0.10 -0.27 0.28 0.01 -0.34 -0.31 -0.04 0.12 -0.08 0.11 -0.05 0.01 0.05 0.18 -0.05 0.12 0.05 -0.02 -0.08 -0.02 -0.10 -0.13 -0.01 -0.10 0.00 -0.02 -0.05 0.12 -0.08 0.05 0.16 -0.00 0.00 0.27 0.17 -0.14 -0.02 0.20 -0.10 -0.09 0.24 -0.04 -0.04 -0.09 0.05 -0.02 0.04 -0.02 -0.02 0.00 -0.00 0.04 0.03 -0.03 0.02 -0.01 -0.01 0.05 0.04 -0.04 0.01 -0.00 -0.02 0.00 0.01 -0.05 -0.04 -0.03 0.03 -0.03 -0.04 -0.02 -0.03 -0.08 -0.08 -0.03 0.02 -0.05 0.03 0.03 0.02 0.02 -0.00 0.01 0.02 0.03 0.02 0.01 0.00 0.03 -0.02 0.02 -0.02 -0.03 0.02 -0.02 -0.01 -0.02 0.00 0.03 0.00 0.02 -0.01 -0.00 0.01 -0.02 -0.01 -0.03 -0.00 0.02 -0.01 0.01 0.02 -0.03 0.03 -0.02 0.02 -0.01 -0.06 -0.01 0.07 -0.00 0.09 0.05 0.03 0.07 -0.00 0.01 0.02 -0.02 0.02 -0.02 0.01 0.03 -0.01 -0.00 0.07 -0.05 0.01 0.08 0.09 0.01 0.01 0.06 -0.02 -0.01 -0.00 -0.01 -0.06 -0.00 -0.03 -0.00 -0.01 0.03 0.01 0.03 0.04 0.01 0.03 0.00 0.01 0.02 -0.01 0.03 -0.02 -0.03 -0.02 0.01 -0.04 -0.03 0.01 0.04 0.02 -0.04 0.07 -0.06 0.06 0.00 -0.09 0.92 -0.04 0.01 -0.03 -0.06 0.02 -0.02 -0.01 0.01 0.02 0.03 0.03 0.01 0.05 0.06 -0.03 -0.07 -0.05 0.01 -0.01 -0.02 -0.00 0.03 -0.01 0.00 0.06 0.07 -0.04 0.03 0.15 -0.08 0.05 -0.11 -0.02 0.05 -0.01 -0.06 -0.03 0.02 0.02 -0.02 -0.04 0.00 -0.02 0.02 -0.03 0.01 -0.02 0.05 0.03 -0.01 0.02 0.01 0.03 -0.01 -0.02 -0.01 -0.02 0.03 0.02 -0.00 0.08 0.00 0.01 -0.06 -0.02 0.01 0.05 -0.06 0.00 -0.02 0.04 -0.05 0.03 0.11 -0.02 -0.07 0.02 0.02 -0.04 0.05 0.01 0.01 -0.12 0.02 -0.02 0.03 0.04 -0.08 -0.05 0.06 0.01 -0.11 0.11 -0.01 -0.12 -0.10 -0.01 0.02 -0.05 0.03 -0.02 -0.01 0.01 0.06 -0.03 0.03 0.04 -0.03 -0.04 -0.02 -0.06 -0.05 -0.02 -0.05 0.04 -0.02 -0.01 0.02 -0.02 0.05 0.07 0.02 0.01 0.07 0.05 -0.03 0.02 -0.07 0.03 -0.01 0.15 -0.08 -0.01 0.15 0.72 -0.00 -0.22 0.05 -0.06 0.00 0.08 -0.15 -0.06 0.11 -0.05 0.13 0.02 -0.17 -0.09 0.14 -0.10 -0.08 -0.00 -0.01 -0.00 -0.00 0.01 -0.00 0.01 -0.04 -0.00 0.00 -0.00 -0.04 0.05 0.00 0.02 0.01 -0.01 0.01 -0.00 0.04 0.12 0.15 -0.03 -0.04 0.04 0.07 -0.08 -0.12 -0.01 0.13 0.08 0.07 -0.06 -0.07 -0.03 0.05 -0.06 0.15 -0.01 0.05 0.05 0.05 -0.04 0.01 -0.04 -0.11 -0.12 0.09 0.08 0.00 -0.03 -0.12 -0.01 0.01 0.12 -0.02 -0.03 0.01 -0.01 -0.01 -0.01 -0.01 0.01 -0.01 -0.01 0.01 0.00 0.00 0.01 0.00 0.01 0.02 -0.01 -0.22 -0.15 0.09 -0.03 -0.06 0.02 0.10 -0.08 -0.18 -0.04 -0.11 -0.12 -0.02 -0.14 -0.12 -0.13 0.25 -0.25 0.07 -0.08 -0.07 0.09 -0.07 -0.03 0.36 -0.08 0.08 0.00 0.05 0.06 0.12 0.20 -0.08 0.01 0.04 0.05 0.11 -0.05 -0.17 0.19 0.02 0.27 -0.01 -0.04 -0.16 -0.00 0.02 0.01 0.00 0.00 0.01 0.02 0.03 -0.02 0.01 0.01 -0.01 0.01 0.02 -0.01 0.04 0.02 0.06 0.08 0.03 0.06 -0.14 0.02 -0.06 0.04 -0.11 0.01 -0.06 0.17 -0.11 -0.06 0.01 -0.07 0.03 -0.05 0.06 -0.01 -0.00 0.00 -0.07 -0.07 -0.09 0.05 -0.11 -0.15 0.08 0.00 0.01 0.13 -0.08 0.05 0.01 0.00 -0.00 -0.01 -0.00 -0.03 0.04 0.03 -0.03 -0.09 0.12 0.06 -0.03 0.11 -0.06 -0.12 -0.02 0.17 -0.15 0.00 0.08 -0.04 0.06 -0.01 0.12 0.02 0.05 0.10 -0.07 0.06 0.08 0.04 -0.00 -0.00 -0.11 -0.04 0.02 0.00 -0.02 -0.18 -0.14 -0.08 -0.08 -0.08 -0.09 0.06 -0.15 -0.28 0.01 -0.02 -0.00 0.00 0.03 0.01 0.04 -0.01 0.00 -0.00 -0.01 -0.05 -0.05 -0.01 -0.07 0.05 -0.00 -0.03 -0.04 0.03 0.13 0.17 0.23 -0.08 0.00 0.03 0.07 -0.12 -0.13 0.27 -0.20 -0.19 0.11 -0.01 0.16 0.17 0.08 0.09 -0.04 0.01 -0.08 -0.11 0.01 -0.04 0.01 0.04 -0.04 0.02 0.09 0.06 -0.06 -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 -0.02 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.14 0.08 -0.06 -0.02 -0.02 -0.16 -0.16 -0.04 -0.04 0.05 -0.02 0.04 -0.06 0.07 -0.03 -0.05 0.10 -0.04 0.21 -0.01 0.07 -0.11 -0.11 0.10 -0.00 0.00 0.03 0.06 -0.09 0.07 0.01 -0.03 0.05 -0.05 0.05 -0.02 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 0.06 -0.10 -0.01 -0.02 -0.13 -0.29 -0.25 -0.10 0.03 -0.21 0.27 -0.11 -0.10 -0.10 0.08 -0.14 0.10 -0.02 0.09 -0.05 0.07 0.31 -0.07 0.13 0.22 -0.04 0.10 -0.13 -0.17 0.18 -0.06 -0.05 0.08 -0.06 -0.06 0.11 -0.01 -0.01 0.04 -0.16 0.21 -0.16 0.00 -0.00 0.03 0.01 0.01 0.00 0.00 0.00 -0.01 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.02 -0.01 -0.02 0.20 -0.03 0.31 -0.26 0.05 -0.23 -0.04 -0.02 -0.01 -0.00 -0.03 0.05 0.13 0.01 -0.08 0.06 0.03 -0.08 -0.00 0.01 0.01 0.03 0.03 0.06 -0.01 0.05 0.06 -0.02 -0.01 0.01 -0.05 0.03 -0.03 -0.01 0.02 -0.01 -0.00 -0.00 0.01 -0.02 -0.01 0.01 0.04 -0.04 -0.05 0.01 -0.06 0.03 0.08 -0.03 -0.08 0.07 0.02 -0.06 -0.03 -0.01 0.03 -0.04 0.02 0.03 -0.05 0.04 0.03 0.01 -0.05 -0.03 -0.14 -0.20 0.10 0.08 0.18 -0.07 0.07 0.04 0.06 0.04 0.03 0.05 -0.01 0.07 0.12 0.00 0.01 -0.00 -0.00 0.01 -0.02 -0.01 0.03 -0.01 -0.02 -0.01 -0.00 0.01 -0.01 0.01 0.01 -0.01 0.02 0.02 -0.00 -0.05 -0.07 -0.09 0.03 -0.00 -0.01 -0.02 0.10 -0.01 -0.11 0.09 0.15 -0.08 -0.02 -0.03 0.03 -0.03 -0.19 -0.04 -0.26 -0.30 0.21 0.01 0.16 -0.02 0.10 0.32 -0.11 -0.02 0.13 0.00 0.03 -0.01 -0.02 0.02 -0.02 0.04 0.00 0.00 -0.03 0.11 0.07 -0.01 0.02 -0.09 -0.06 0.07 -0.03 0.04 0.00 0.03 -0.06 0.07 -0.07 -0.06 -0.01 -0.01 -0.12 -0.04 -0.01 -0.06 -0.10 0.11 -0.09 -0.02 -0.06 0.06 0.01 -0.10 0.02 0.08 0.02 0.03 0.01 0.00 -0.02 -0.01 -0.12 0.15 -0.04 0.13 -0.02 -0.11 0.19 0.03 0.00 -0.07 0.19 0.10 0.04 -0.02 -0.06 0.02 -0.01 -0.08 0.06 -0.02 -0.05 -0.05 -0.03 -0.05 0.02 0.06 -0.01 -0.01 0.02 0.04 0.03 -0.16 -0.08 -0.02 -0.09 -0.05 -0.04 -0.13 -0.06 -0.01 -0.00 -0.01 -0.18 0.07 -0.03 -0.13 0.05 0.16 0.07 0.13 0.12 0.07 0.09 -0.10 0.08 -0.01 -0.00 -0.04 0.03 0.04 -0.00 -0.00 0.05 0.03 -0.04 -0.19 0.40 -0.12 0.04 -0.26 0.28 -0.08 -0.09 0.05 -0.08 -0.14 -0.03 -0.10 -0.04 0.13 -0.03 0.02 0.01 -0.02 0.07 -0.02 -0.09 -0.06 0.06 -0.10 -0.11 -0.05 -0.00 0.01 -0.01 -0.01 -0.00 0.00 -0.03 -0.02 0.00 -0.00 0.06 0.07 -0.03 0.00 -0.03 0.01 -0.01 0.03 0.04 -0.08 -0.16 0.10 0.04 -0.16 0.02 -0.02 -0.01 -0.05 -0.07 0.08 -0.04 -0.07 0.02 0.01 -0.05 0.03 -0.05 -0.00 -0.02 -0.00 -0.01 -0.02 -0.01 0.06 -0.06 -0.08 0.09 0.12 0.15 0.05 0.03 0.07 0.16 0.12 -0.04 0.01 0.02 0.00 -0.00 -0.01 0.02 -0.02 0.01 0.03 0.01 0.02 0.01 -0.01 -0.02 -0.00 -0.00 -0.01 0.17 0.12 -0.24 0.11 0.10 -0.10 0.02 -0.03 -0.02 -0.05 0.18 0.05 -0.02 0.01 0.13 0.04 -0.25 0.21 -0.03 0.04 0.11 0.08 0.05 0.13 -0.31 0.04 -0.03 0.01 0.04 -0.09 -0.05 -0.03 -0.03 -0.05 -0.04 -0.01 0.34 -0.06 0.05 0.24 0.24 0.23 0.03 0.06 -0.03 0.06 0.04 0.05 0.03 0.00 -0.04 -0.00 -0.02 0.01 0.01 -0.02 0.01 0.03 0.02 -0.02 0.00 0.02 -0.01 -0.01 -0.01 0.01 0.02 0.01 0.00 0.04 0.03 -0.03 0.01 -0.06 -0.04 0.14 0.02 0.18 -0.10 -0.01 -0.13 -0.02 -0.01 -0.02 0.04 -0.00 -0.02 0.12 -0.10 -0.03 0.03 -0.02 0.04 -0.03 0.07 -0.10 0.00 0.00 0.00 -0.06 -0.01 -0.02 0.01 0.01 -0.01 -0.09 0.08 -0.07 0.05 -0.05 0.11 -0.04 -0.06 0.07 -0.11 0.08 0.06 0.07 -0.02 0.05 0.07 0.00 0.10 -0.03 -0.00 -0.03 -0.13 -0.02 -0.14 0.00 0.01 0.01 0.02 0.01 0.02 -0.10 0.05 -0.17 0.08 0.15 0.13 0.10 -0.07 0.06 0.02 0.02 0.02 0.00 0.05 0.01 0.03 -0.04 0.04 -0.07 -0.01 -0.01 -0.04 -0.01 -0.00 -0.09 -0.01 -0.02 -0.04 0.11 -0.01 0.01 0.19 -0.10 -0.15 -0.08 0.15 0.07 -0.19 0.13 -0.18 0.16 -0.01 0.06 -0.06 0.15 -0.35 -0.07 -0.40 0.00 0.00 0.02 0.07 0.13 -0.09 -0.03 0.01 -0.04 -0.09 -0.10 0.04 -0.05 -0.05 0.02 -0.01 0.00 -0.00 0.01 0.01 0.01 -0.12 -0.01 -0.01 0.04 0.02 -0.03 0.08 0.05 0.13 -0.09 -0.02 -0.08 0.01 0.02 -0.01 -0.06 -0.01 -0.03 -0.11 0.08 -0.00 0.05 -0.07 0.03 0.09 -0.08 0.16 -0.01 0.03 -0.01 0.03 -0.00 0.00 -0.01 -0.01 0.00 0.07 0.10 0.03 -0.09 0.09 -0.15 0.06 0.08 0.01 0.11 -0.06 -0.09 -0.04 -0.08 0.09 0.07 -0.04 0.10 0.02 -0.04 -0.02 -0.10 0.00 -0.09 0.03 -0.01 -0.03 0.05 0.07 -0.02 0.10 -0.10 0.17 -0.08 -0.20 -0.22 -0.10 0.03 -0.16 -0.03 0.06 -0.01 -0.02 0.02 0.02 -0.00 0.01 0.01 0.02 -0.01 -0.03 0.01 -0.01 -0.02 0.08 -0.01 0.01 0.03 -0.12 0.04 0.01 -0.16 0.08 0.14 0.08 -0.14 0.01 -0.03 0.14 0.22 -0.30 0.06 0.18 0.00 0.04 -0.27 -0.01 -0.30 0.07 0.01 -0.06 0.11 0.16 -0.11 0.01 0.02 -0.04 -0.00 0.00 -0.03 -0.09 -0.03 0.03 0.01 -0.01 -0.01 0.02 -0.01 -0.01 -0.07 0.12 0.03 0.14 -0.16 -0.03 -0.03 0.01 -0.09 0.05 0.02 0.05 -0.01 -0.01 -0.00 -0.04 -0.04 -0.04 0.06 -0.09 -0.06 0.09 -0.01 0.01 0.07 0.10 0.02 0.01 -0.01 0.00 -0.05 -0.00 -0.03 0.01 0.00 -0.01 0.02 0.19 0.04 -0.00 -0.05 -0.02 0.01 0.08 0.14 -0.02 0.00 -0.04 0.07 -0.17 -0.11 -0.10 -0.08 -0.05 -0.07 0.04 0.02 -0.01 -0.03 0.11 -0.08 0.07 0.08 0.04 0.10 -0.05 -0.13 -0.05 -0.09 -0.02 0.01 0.01 0.03 -0.11 -0.06 0.02 -0.01 0.01 0.01 0.03 0.00 0.03 -0.02 0.02 -0.06 -0.01 -0.05 -0.08 -0.01 -0.05 -0.01 -0.01 -0.03 -0.05 0.05 0.06 0.07 0.20 -0.08 -0.08 -0.04 0.13 -0.03 -0.10 0.33 -0.06 -0.10 -0.04 0.39 -0.18 -0.08 0.11 -0.08 0.29 -0.16 0.01 0.16 0.00 0.04 0.01 0.06 0.13 -0.04 0.05 0.13 -0.04 -0.11 -0.04 0.00 -0.01 0.01 -0.00 -0.00 0.01 0.01 -0.10 -0.05 -0.00 0.00 0.10 -0.05 -0.00 0.02 0.02 -0.03 -0.02 0.00 0.00 -0.02 0.01 -0.03 -0.04 -0.01 0.06 -0.07 -0.04 -0.06 0.19 -0.14 0.03 0.12 -0.03 0.02 -0.09 0.02 -0.02 0.00 -0.01 0.01 0.00 -0.01 0.14 -0.08 0.17 0.04 -0.13 0.06 0.08 0.06 0.07 0.08 -0.00 -0.04 -0.08 0.00 0.07 0.02 -0.01 0.03 0.04 -0.04 -0.01 -0.01 0.01 -0.02 0.05 -0.04 -0.05 0.02 0.03 -0.01 -0.14 0.01 -0.14 -0.05 0.06 0.12 0.03 -0.07 0.01 0.03 -0.17 0.00 0.03 -0.13 -0.02 -0.01 -0.02 -0.05 0.04 0.03 0.03 -0.04 0.03 -0.01 -0.06 0.04 -0.03 -0.05 0.05 0.06 0.05 0.19 -0.08 -0.08 -0.03 0.13 -0.17 0.44 -0.15 -0.12 0.36 -0.29 -0.02 0.10 -0.03 -0.06 0.02 -0.07 0.11 0.00 -0.11 0.04 0.04 -0.03 0.01 -0.01 -0.01 0.03 0.03 -0.03 -0.03 -0.01 -0.00 0.03 0.03 -0.08 -0.09 -0.04 -0.01 -0.01 -0.03 0.13 -0.02 0.02 0.13 0.08 -0.02 0.11 -0.18 -0.01 -0.25 0.00 0.00 0.00 -0.02 -0.01 -0.00 -0.00 -0.00 -0.00 -0.01 0.02 -0.02 0.01 0.00 0.01 0.00 -0.01 0.00 0.01 0.00 0.00 0.01 0.00 0.00 0.02 -0.01 0.03 0.00 -0.02 -0.00 0.04 0.03 0.01 0.05 -0.00 -0.03 -0.07 -0.02 -0.43 0.02 0.03 -0.12 0.31 0.08 0.44 0.07 0.03 -0.05 -0.10 0.08 0.11 -0.03 -0.10 0.06 -0.02 -0.01 0.01 -0.02 -0.02 -0.01 -0.01 -0.01 -0.02 0.00 -0.02 -0.00 0.00 -0.02 -0.00 -0.01 0.01 -0.01 0.02 0.00 0.00 -0.00 0.00 -0.00 0.01 0.00 -0.00 0.01 0.01 -0.01 0.02 0.01 0.01 0.01 0.01 0.00 -0.00 0.08 -0.01 0.03 0.05 -0.06 -0.00 0.02 -0.22 0.05 0.10 -0.11 -0.32 0.00 0.11 -0.01 0.00 -0.03 -0.06 -0.09 0.02 -0.11 -0.19 0.06 0.06 0.03 0.00 0.00 0.03 -0.09 0.06 0.00 0.01 0.00 0.05 0.00 0.03 0.12 -0.00 0.02 0.03 -0.02 -0.07 -0.24 0.03 0.01 -0.01 -0.02 0.04 0.04 -0.03 -0.04 0.05 0.02 -0.01 0.07 0.01 0.04 -0.03 -0.01 0.01 -0.06 0.02 -0.03 -0.00 -0.02 -0.03 -0.02 0.03 0.06 -0.04 -0.04 -0.01 0.03 0.05 -0.07 -0.13 -0.10 -0.10 -0.01 0.09 0.01 0.02 -0.04 -0.08 -0.10 0.02 -0.01 -0.18 0.13 -0.07 -0.07 0.08 -0.06 0.06 0.06 0.15 0.27 -0.13 0.17 0.05 0.02 0.04 -0.01 -0.09 -0.04 0.03 0.00 -0.00 -0.03 0.02 0.01 -0.07 0.04 0.01 -0.09 0.04 -0.03 0.01 0.01 -0.01 0.01 0.01 -0.09 0.01 -0.02 0.01 -0.04 -0.01 -0.06 -0.13 0.07 0.02 -0.00 -0.05 -0.12 0.04 -0.24 -0.09 0.15 0.05 0.02 0.13 0.02 -0.09 -0.25 0.13 -0.06 0.08 0.03 0.17 0.25 -0.13 0.13 0.20 -0.12 0.15 0.25 -0.14 0.02 0.02 0.02 -0.00 -0.01 0.04 -0.05 -0.01 -0.00 -0.11 0.01 0.00 0.11 -0.02 -0.05 -0.01 0.01 0.02 0.01 0.16 -0.04 0.02 0.02 -0.02 0.05 0.08 -0.08 -0.05 0.06 0.01 0.12 0.12 0.06 0.15 0.06 -0.01 0.04 -0.14 0.05 -0.12 0.00 -0.05 -0.06 -0.07 0.07 0.14 0.01 -0.02 -0.02 0.05 0.04 -0.10 -0.15 -0.13 -0.14 -0.03 0.11 -0.01 -0.11 0.03 -0.01 -0.01 -0.03 0.08 0.10 -0.01 -0.01 0.02 -0.00 0.07 -0.04 -0.07 -0.06 -0.10 0.05 0.30 0.06 0.07 0.08 -0.06 -0.26 -0.10 -0.01 -0.03 0.01 -0.08 0.04 0.03 -0.17 0.09 0.03 -0.17 0.08 -0.16 -0.01 -0.06 -0.12 -0.01 -0.05 -0.11 -0.01 -0.05 -0.04 -0.08 0.04 -0.09 -0.15 0.10 -0.03 -0.05 0.01 -0.18 -0.02 -0.21 -0.08 0.12 0.11 0.26 -0.03 -0.00 0.07 0.12 0.05 0.07 -0.04 -0.08 -0.07 -0.08 0.05 -0.06 -0.07 0.05 -0.07 -0.10 0.06 -0.00 -0.00 -0.00 0.00 0.02 -0.03 -0.05 -0.02 0.00 0.01 0.03 -0.11 0.01 -0.04 -0.09 0.01 0.01 0.03 -0.06 -0.01 -0.07 -0.00 -0.01 0.00 0.01 -0.02 0.02 0.02 -0.02 -0.01 0.03 -0.08 0.04 -0.05 0.05 -0.04 -0.01 0.05 -0.02 0.01 -0.00 0.00 0.01 0.00 -0.02 -0.01 -0.03 0.02 -0.01 0.03 -0.03 -0.01 0.05 0.01 0.01 -0.00 -0.00 0.06 0.03 0.39 -0.20 -0.03 -0.24 0.20 -0.00 0.20 -0.02 -0.00 -0.03 0.04 -0.02 -0.02 0.01 0.01 -0.00 -0.08 0.00 -0.05 0.00 0.04 0.09 0.03 0.01 0.07 -0.00 0.06 -0.01 -0.01 0.08 -0.02 0.01 0.02 0.00 0.00 -0.01 -0.01 0.01 -0.01 0.00 0.02 -0.01 0.01 -0.02 0.01 0.03 0.02 0.09 -0.05 -0.03 -0.01 0.05 0.03 -0.03 0.06 0.04 -0.14 0.06 -0.04 -0.03 0.06 0.44 0.09 0.54 0.01 0.00 -0.09 0.03 0.05 -0.03 -0.01 -0.01 -0.02 -0.01 -0.01 -0.01 -0.03 -0.03 0.02 -0.00 0.00 -0.00 0.01 0.01 0.00 0.01 -0.02 0.03 -0.04 0.02 0.01 -0.00 -0.00 -0.01 0.00 -0.03 0.02 0.01 0.00 0.01 0.04 -0.00 -0.02 0.03 -0.03 -0.03 0.22 -0.22 0.19 -0.07 0.27 -0.19 -0.01 0.05 -0.02 -0.08 -0.00 -0.02 -0.01 -0.05 0.02 0.10 -0.19 0.14 -0.10 0.18 -0.13 -0.02 0.08 -0.04 0.06 -0.08 0.06 -0.04 0.04 -0.09 0.03 0.02 0.06 -0.03 -0.03 -0.02 0.01 -0.00 0.02 -0.00 -0.01 -0.00 0.01 0.02 -0.01 -0.03 0.02 -0.09 0.06 0.07 0.05 -0.05 -0.01 0.27 -0.00 0.12 0.01 -0.02 0.12 0.02 0.04 -0.03 0.06 -0.13 -0.04 -0.10 -0.10 -0.05 -0.07 0.05 -0.05 -0.00 -0.09 0.04 0.09 0.02 0.20 -0.08 -0.15 -0.11 0.22 -0.11 0.28 -0.19 0.10 -0.11 0.10 -0.18 0.03 -0.06 -0.13 -0.07 -0.14 0.02 0.01 -0.01 0.01 0.01 -0.00 0.01 0.01 -0.00 0.02 0.02 -0.01 0.03 0.01 -0.01 -0.02 0.02 0.03 -0.05 0.01 0.02 0.05 0.06 0.03 0.03 0.02 0.04 -0.01 0.00 0.00 -0.02 0.11 -0.02 -0.01 -0.03 -0.02 -0.01 -0.04 0.03 0.00 -0.02 0.01 -0.05 -0.04 -0.01 -0.05 -0.02 0.01 -0.02 0.05 -0.03 0.04 -0.01 0.01 0.02 0.03 -0.02 -0.00 -0.01 0.00 -0.00 -0.00 0.01 -0.01 0.01 0.01 -0.01 0.01 0.00 0.02 -0.01 -0.17 -0.15 -0.04 0.09 0.12 0.03 0.02 -0.17 -0.10 0.18 0.24 -0.17 -0.23 0.02 0.06 -0.02 -0.10 -0.00 -0.07 -0.04 0.03 0.12 0.04 0.03 0.04 -0.01 0.07 -0.01 -0.02 0.09 -0.03 0.00 0.03 -0.00 0.08 0.02 0.05 0.06 0.02 0.04 -0.03 0.01 0.00 0.02 0.02 -0.02 0.03 0.04 -0.02 0.03 0.03 -0.02 0.00 -0.03 0.03 -0.01 -0.05 0.02 0.02 0.02 -0.00 -0.26 -0.36 0.19 0.41 -0.05 -0.40 -0.02 0.05 0.01 0.03 0.12 -0.03 -0.03 0.04 0.02 0.03 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.02 0.01 -0.00 0.03 0.00 0.01 -0.00 0.00 0.00 0.01 0.02 -0.00 -0.00 -0.03 -0.02 -0.01 -0.03 0.03 -0.00 -0.01 0.01 -0.02 -0.04 0.01 -0.02 -0.02 0.01 -0.01 0.05 -0.03 0.03 -0.01 0.00 0.01 0.02 -0.02 -0.02 0.06 -0.05 -0.05 0.07 -0.05 0.03 -0.08 0.05 0.04 -0.08 0.07 0.01 -0.04 0.01 0.01 -0.01 -0.01 -0.00 0.01 -0.01 0.00 0.01 -0.01 -0.01 0.01 0.01 -0.01 -0.01 0.01 -0.05 0.01 -0.04 -0.03 0.02 0.10 0.03 0.03 0.00 -0.01 0.08 -0.01 -0.02 0.09 -0.02 0.01 0.00 0.01 0.06 0.01 0.04 0.05 0.02 0.04 -0.04 0.01 -0.00 0.01 -0.00 -0.00 0.02 0.01 -0.01 0.03 0.03 -0.03 -0.24 0.46 -0.31 -0.31 0.53 -0.37 0.13 -0.00 0.01 0.03 0.04 0.01 -0.03 -0.00 0.03 -0.00 -0.01 0.00 -0.01 -0.01 0.00 -0.01 -0.01 0.01 -0.02 -0.02 0.01 -0.00 0.01 -0.00 -0.00 0.00 0.00 0.07 0.01 -0.01 -0.07 -0.06 0.02 0.00 -0.01 0.00 -0.01 -0.01 0.00 -0.02 0.11 0.08 0.02 0.12 -0.11 0.03 -0.00 -0.00 0.01 -0.00 0.01 0.00 -0.02 -0.01 0.03 -0.11 0.07 -0.04 0.03 0.02 0.01 -0.03 0.02 -0.10 0.03 -0.04 -0.00 0.01 -0.05 0.04 0.01 0.07 0.08 -0.04 -0.03 0.02 0.04 -0.00 -0.03 0.01 0.01 0.01 -0.01 0.01 -0.03 -0.02 0.01 0.03 -0.03 -0.03 0.01 0.02 -0.01 0.14 -0.08 0.22 0.13 -0.08 -0.41 -0.10 -0.15 -0.05 0.03 -0.23 0.04 0.04 -0.21 0.04 -0.02 0.02 -0.05 -0.15 -0.05 -0.16 -0.16 -0.07 -0.14 0.28 -0.03 0.05 0.00 0.12 -0.11 -0.09 -0.02 -0.02 -0.14 -0.13 0.07 -0.01 0.17 -0.06 -0.12 0.20 -0.26 -0.16 -0.05 0.00 0.03 -0.07 0.12 0.06 -0.00 -0.06 0.00 0.02 -0.00 0.01 0.03 -0.01 -0.00 0.01 -0.00 -0.01 -0.00 0.00 0.00 -0.00 0.00 0.01 0.00 0.00 -0.00 -0.01 0.01 -0.01 0.01 0.01 0.02 -0.00 0.02 0.01 -0.00 0.01 0.00 -0.01 -0.01 0.00 -0.01 0.01 -0.00 0.00 -0.00 0.01 0.00 -0.00 0.01 0.00 -0.00 -0.00 0.01 -0.00 -0.00 -0.00 -0.00 -0.01 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.01 -0.00 -0.06 0.05 0.01 0.08 -0.02 -0.00 -0.02 -0.11 -0.02 -0.13 -0.00 -0.00 -0.01 0.00 0.00 0.00 0.00 0.01 -0.01 -0.01 0.00 0.03 0.01 0.01 -0.01 -0.00 0.01 -0.00 -0.00 0.01 -0.00 0.00 -0.00 0.00 0.00 0.00 0.01 0.01 0.00 0.01 -0.03 0.00 -0.00 -0.01 -0.02 0.02 0.01 -0.01 0.01 0.02 0.01 -0.01 0.01 -0.00 -0.01 0.01 -0.01 0.02 -0.01 0.01 0.01 0.60 0.08 0.76 0.01 0.00 -0.01 0.01 0.03 -0.02 -0.01 0.01 -0.02 -0.02 -0.03 0.00 -0.09 -0.04 0.02 -0.00 0.01 -0.00 0.00 0.00 0.00 0.06 0.00 -0.01 -0.08 -0.07 0.00 0.00 -0.01 -0.00 -0.01 -0.01 0.00 0.04 -0.02 -0.02 0.06 0.00 0.15 -0.05 0.06 -0.08 0.10 0.05 -0.06 0.14 -0.02 -0.07 0.00 0.02 -0.01 -0.05 -0.01 -0.04 -0.12 -0.07 0.04 -0.08 0.01 -0.04 0.06 0.01 -0.04 0.02 0.03 0.06 0.02 0.02 0.05 0.01 0.04 -0.00 -0.02 0.01 -0.00 0.00 -0.01 0.01 -0.00 -0.01 0.02 0.01 -0.02 -0.01 0.01 0.01 -0.00 0.16 0.14 0.03 -0.03 0.03 0.25 0.13 0.18 -0.23 -0.02 0.05 -0.02 -0.00 -0.01 -0.00 -0.01 0.02 -0.01 -0.09 0.00 0.03 0.06 0.01 0.07 -0.18 -0.01 -0.03 -0.11 -0.44 0.36 0.11 -0.14 0.15 0.23 0.18 -0.09 0.13 0.07 -0.03 -0.10 0.11 -0.06 -0.17 -0.06 -0.01 -0.07 -0.07 -0.04 0.03 -0.00 -0.03 -0.00 0.00 0.00 0.01 0.01 -0.00 0.00 0.01 -0.00 -0.01 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.01 -0.01 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.01 0.01 -0.09 -0.11 0.08 0.15 0.01 -0.02 0.01 0.00 -0.00 -0.01 0.02 0.02 -0.01 0.03 -0.05 -0.04 0.04 0.00 -0.04 0.05 -0.00 -0.03 -0.00 -0.00 -0.01 0.01 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.01 0.01 -0.00 0.01 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.01 -0.16 0.52 -0.02 -0.19 -0.22 -0.16 -0.20 -0.01 -0.08 0.28 -0.02 -0.03 -0.03 0.13 0.02 -0.28 0.19 -0.05 0.01 0.08 0.24 0.03 0.17 -0.21 -0.02 -0.00 -0.03 0.14 -0.01 0.04 0.20 -0.13 -0.13 -0.10 0.15 0.02 -0.01 -0.01 0.00 0.02 0.01 -0.03 -0.01 -0.00 -0.00 -0.01 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.06 0.03 -0.02 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.03 0.00 0.00 0.05 0.04 0.00 -0.00 0.00 0.00 0.00 0.01 -0.00 -0.00 0.08 0.01 0.15 0.08 0.08 -0.05 -0.07 -0.13 -0.10 -0.04 0.05 -0.10 -0.03 0.03 0.01 -0.05 0.04 -0.01 0.05 -0.02 -0.04 -0.05 -0.08 0.02 0.00 0.02 -0.05 -0.02 0.02 0.00 0.00 0.02 0.00 -0.02 -0.06 0.00 -0.03 -0.01 0.01 -0.01 0.00 0.00 0.00 -0.01 0.00 0.00 -0.00 -0.00 0.01 0.00 -0.00 -0.00 0.00 0.14 0.09 0.07 0.20 0.11 0.07 0.01 -0.01 -0.13 0.06 -0.14 0.05 0.03 -0.03 -0.01 0.03 -0.01 -0.01 -0.28 -0.05 -0.05 0.17 -0.07 0.09 0.02 -0.08 0.08 -0.19 -0.29 0.41 0.29 0.33 -0.14 0.11 0.13 0.11 -0.13 0.05 0.04 0.04 -0.12 -0.00 0.12 0.04 0.01 0.01 0.03 -0.00 -0.01 0.00 0.01 0.00 -0.00 -0.00 -0.00 -0.01 0.00 0.00 -0.00 -0.00 0.01 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.04 -0.08 0.06 0.04 0.07 0.01 -0.01 -0.01 -0.03 -0.02 -0.00 0.00 -0.00 -0.01 0.00 0.03 0.10 -0.00 -0.06 -0.09 0.01 0.01 -0.03 -0.02 -0.00 0.00 -0.00 -0.00 -0.01 0.00 0.01 -0.02 0.02 -0.01 0.02 -0.02 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.01 0.00 0.01 -0.00 0.00 -0.00 0.25 0.06 0.13 -0.02 -0.07 -0.10 -0.12 -0.13 -0.05 -0.15 0.13 -0.13 0.00 -0.27 0.05 -0.19 0.26 -0.13 0.42 0.10 0.12 -0.35 0.16 -0.14 -0.20 0.15 -0.16 -0.05 0.04 0.04 0.04 0.15 -0.09 -0.09 -0.07 0.12 -0.07 0.13 -0.07 0.06 -0.12 0.07 0.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.01 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.01 -0.00 0.00 -0.09 0.15 -0.17 -0.21 -0.15 -0.15 -0.00 0.00 0.00 -0.00 0.01 0.00 -0.00 0.00 0.01 0.02 0.01 0.01 -0.01 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.01 0.00 -0.00 -0.01 -0.01 -0.01 -0.00 0.01 0.01 0.01 -0.00 0.00 0.01 -0.00 -0.00 -0.00 0.01 0.00 -0.00 0.00 -0.00 0.01 -0.01 0.01 0.00 -0.00 -0.00 -0.01 0.02 -0.01 0.02 -0.06 -0.01 -0.10 -0.01 -0.00 0.00 0.49 0.00 0.52 0.00 0.00 0.00 -0.01 -0.00 0.01 0.00 -0.00 -0.01 0.01 0.01 0.00 0.03 -0.02 0.02 -0.00 0.06 -0.02 0.03 -0.03 0.02 -0.03 -0.01 -0.01 0.03 -0.02 0.01 0.04 -0.01 0.02 0.01 -0.00 -0.01 -0.01 -0.02 0.01 -0.00 -0.00 -0.01 -0.01 0.05 -0.03 0.01 -0.04 0.03 -0.01 0.01 0.00 0.03 0.00 0.05 0.36 -0.00 0.41 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 -0.00 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 -0.05 -0.01 -0.00 -0.00 0.02 -0.00 0.01 0.02 0.00 0.01 -0.02 -0.03 0.02 -0.00 -0.03 -0.04 -0.01 -0.01 0.04 0.01 0.03 -0.00 -0.01 0.02 -0.01 0.01 -0.02 0.04 -0.01 -0.01 0.04 -0.08 0.08 -0.05 0.09 -0.03 0.01 -0.01 0.00 0.00 -0.01 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.01 0.00 -0.01 -0.00 -0.00 0.00 0.06 0.01 0.04 0.01 -0.01 -0.04 -0.00 0.00 -0.00 0.10 -0.08 0.08 -0.01 0.24 -0.07 0.11 -0.09 0.04 -0.01 -0.02 -0.02 0.04 -0.04 -0.00 0.14 -0.02 0.05 0.01 0.01 -0.02 -0.03 -0.04 0.02 -0.02 -0.03 0.01 -0.22 0.54 -0.36 0.21 -0.45 0.33 0.04 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 -0.02 -0.01 0.01 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.02 0.00 0.00 0.04 0.04 -0.01 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.11 -0.08 0.02 0.04 0.09 0.01 0.01 0.02 -0.03 -0.02 -0.03 -0.06 0.02 -0.02 -0.05 -0.10 0.02 -0.02 0.08 -0.02 0.07 -0.00 -0.03 0.01 0.02 -0.03 0.01 0.03 0.01 -0.02 -0.03 0.07 -0.01 -0.01 -0.02 0.07 -0.00 -0.02 -0.00 0.01 -0.01 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.01 0.01 -0.00 -0.00 -0.00 0.00 0.33 0.10 0.15 0.03 -0.06 -0.15 -0.08 -0.09 -0.09 0.18 -0.18 0.13 -0.03 0.47 -0.18 0.17 -0.06 0.02 0.24 0.02 0.04 -0.07 0.01 -0.06 0.17 0.03 0.02 -0.04 0.02 0.03 -0.01 0.05 -0.03 -0.08 -0.08 0.09 0.19 -0.27 0.19 -0.20 0.18 -0.13 0.07 0.03 0.00 0.01 0.02 -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 0.02 0.01 -0.00 -0.01 0.03 -0.03 0.02 0.02 0.01 0.03 -0.01 -0.00 -0.08 -0.10 -0.00 0.02 -0.03 -0.01 -0.05 0.01 0.04 -0.00 -0.06 -0.01 0.03 -0.04 -0.03 -0.07 -0.01 0.02 0.05 0.10 0.07 0.06 0.05 0.11 -0.08 0.01 -0.01 0.02 -0.01 -0.03 0.05 -0.02 -0.06 -0.01 0.07 0.01 -0.04 -0.01 0.03 -0.01 -0.06 -0.05 0.04 -0.02 -0.06 -0.01 0.05 0.00 -0.01 0.05 -0.00 -0.02 0.01 0.02 0.03 -0.02 -0.02 -0.01 -0.09 0.01 0.02 0.00 -0.01 0.27 0.18 -0.19 -0.13 -0.03 0.10 -0.24 -0.14 0.09 0.16 -0.18 0.11 -0.02 0.34 -0.15 0.15 -0.04 0.00 -0.01 0.00 0.06 0.11 0.01 0.07 -0.14 -0.01 -0.01 -0.07 0.12 0.05 0.09 0.30 -0.19 -0.11 -0.07 0.18 -0.15 -0.02 -0.02 0.22 0.14 0.02 -0.17 -0.09 -0.01 0.02 -0.08 -0.01 0.02 -0.08 -0.00 -0.03 0.00 0.01 0.03 0.08 -0.03 -0.02 -0.01 0.03 -0.01 -0.00 0.00 0.02 -0.08 0.06 -0.05 -0.05 -0.03 0.02 0.01 -0.00 -0.03 0.00 0.00 -0.03 0.07 0.02 0.15 -0.10 -0.11 0.02 -0.01 -0.00 0.00 -0.02 -0.00 -0.05 0.02 0.01 0.03 0.01 0.01 0.02 -0.00 0.02 -0.03 0.02 0.06 0.01 0.01 -0.07 0.05 -0.01 -0.01 -0.01 0.00 -0.00 0.01 0.01 -0.01 0.00 -0.01 -0.01 0.01 0.00 -0.00 0.01 0.00 0.00 -0.03 -0.03 0.02 0.04 -0.04 -0.03 -0.10 0.08 0.07 0.04 0.20 -0.04 -0.04 -0.01 0.03 0.14 0.09 -0.09 -0.17 -0.06 0.08 -0.21 -0.11 0.09 0.10 -0.32 0.05 0.04 0.02 -0.15 0.01 0.26 -0.17 -0.15 -0.00 0.07 0.26 0.01 0.17 -0.25 -0.05 -0.00 -0.01 0.17 -0.07 -0.03 0.12 -0.10 -0.13 -0.12 0.11 0.02 -0.00 -0.03 0.02 0.02 0.00 -0.08 0.00 -0.01 -0.12 0.11 0.06 0.03 0.20 -0.04 0.08 -0.01 -0.03 -0.10 -0.25 0.09 0.06 0.01 -0.08 -0.02 -0.01 0.00 -0.01 0.03 -0.02 0.02 0.02 0.01 -0.02 -0.00 0.00 0.04 0.03 0.00 0.01 -0.03 -0.01 -0.06 0.05 0.05 0.02 0.02 0.00 -0.01 -0.00 0.01 -0.02 0.02 -0.01 0.00 -0.06 -0.03 -0.01 -0.03 -0.04 -0.00 0.03 0.10 0.01 0.01 -0.08 0.03 0.00 0.03 0.00 -0.03 -0.02 0.03 0.01 -0.03 0.00 0.02 0.02 -0.03 0.01 0.04 0.00 -0.02 0.00 0.02 -0.00 -0.01 -0.01 0.02 0.01 0.04 -0.04 -0.03 -0.02 -0.07 0.02 0.02 0.00 -0.01 0.02 0.02 0.00 -0.14 -0.07 0.04 -0.13 -0.08 0.02 0.05 -0.39 0.01 0.07 -0.16 -0.14 -0.07 0.41 -0.26 -0.19 0.00 0.09 0.33 0.01 0.21 -0.30 -0.06 -0.00 0.05 0.15 -0.14 -0.11 -0.04 0.00 -0.11 -0.12 0.03 0.09 0.02 -0.01 -0.13 -0.09 -0.01 0.10 0.03 0.01 0.05 -0.03 -0.03 -0.02 -0.07 0.02 -0.03 0.00 0.01 0.04 0.10 -0.03 -0.02 -0.00 0.03 -0.04 -0.01 0.01 0.00 -0.01 0.01 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.01 0.02 0.00 -0.00 -0.01 0.00 -0.02 0.02 0.02 0.04 -0.00 -0.00 0.03 -0.05 0.03 -0.11 0.00 0.05 0.02 -0.01 -0.08 0.00 -0.05 0.02 0.04 0.01 -0.03 -0.05 0.07 0.05 0.06 0.01 -0.06 -0.00 -0.02 -0.02 0.07 0.01 -0.04 0.01 0.01 -0.00 -0.03 0.02 0.06 0.00 -0.01 -0.00 0.01 -0.02 -0.01 0.00 0.01 -0.01 0.01 -0.02 -0.01 0.00 0.02 -0.00 0.00 0.01 -0.00 0.19 0.14 -0.14 -0.07 0.02 0.19 -0.28 -0.09 0.26 -0.08 0.19 -0.06 -0.00 -0.11 0.09 -0.05 -0.05 0.05 -0.22 -0.08 -0.24 -0.16 -0.15 -0.16 0.42 -0.05 0.11 -0.05 0.14 0.01 0.07 0.26 -0.17 -0.08 -0.04 0.13 0.18 -0.00 -0.08 -0.13 -0.04 0.00 0.03 0.02 0.01 0.01 -0.02 -0.01 -0.00 0.02 0.00 0.00 0.01 -0.00 0.01 0.02 -0.01 0.00 0.01 -0.00 0.01 0.00 -0.00 0.04 -0.13 0.10 -0.09 -0.08 -0.05 0.04 0.02 -0.00 -0.07 0.03 -0.00 -0.07 -0.08 0.06 -0.24 0.16 0.18 -0.01 -0.00 0.00 -0.01 0.01 -0.02 0.03 0.01 -0.01 0.01 0.03 0.04 0.01 0.02 0.01 -0.02 -0.01 -0.00 0.01 -0.03 -0.02 -0.01 -0.01 0.01 -0.03 0.00 0.02 -0.02 -0.00 0.02 -0.01 -0.01 -0.01 0.04 -0.01 -0.04 0.01 0.00 0.00 0.13 -0.12 -0.08 0.05 0.06 -0.06 0.12 -0.29 -0.07 0.09 0.37 -0.08 0.04 0.11 -0.03 -0.04 -0.03 0.01 0.01 -0.01 -0.05 0.07 0.04 -0.04 0.04 -0.03 0.03 -0.01 0.08 -0.03 0.04 -0.04 0.02 0.08 0.02 0.07 0.03 0.05 0.04 -0.13 0.02 -0.04 -0.01 -0.04 0.02 -0.00 -0.03 0.02 0.02 0.01 -0.01 -0.06 -0.03 0.02 0.13 0.08 0.00 -0.16 0.04 -0.02 0.14 -0.35 -0.04 0.06 0.36 -0.09 0.11 0.15 -0.09 0.02 0.04 -0.03 0.10 0.12 -0.10 -0.03 -0.02 0.01 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.01 -0.01 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.08 0.05 -0.06 -0.04 0.02 -0.04 -0.03 -0.05 0.12 0.05 -0.03 -0.03 0.01 0.02 0.04 0.00 -0.02 0.07 0.05 -0.05 0.01 -0.03 0.03 -0.10 0.01 0.01 -0.01 0.07 0.02 -0.04 -0.00 -0.02 -0.03 -0.02 0.02 0.04 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.17 -0.10 0.05 0.35 0.17 -0.16 0.06 0.12 0.33 0.01 -0.22 0.01 0.04 -0.12 -0.05 -0.04 0.16 -0.11 0.27 0.05 0.12 -0.02 0.10 0.02 -0.09 0.08 -0.07 -0.11 -0.19 0.24 0.26 0.21 -0.09 0.20 0.24 -0.02 0.10 -0.01 -0.10 -0.04 -0.00 0.03 -0.03 -0.01 -0.00 -0.00 -0.01 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.01 -0.02 0.01 -0.01 -0.01 -0.01 0.00 0.01 -0.00 -0.01 0.01 0.00 0.04 -0.03 -0.03 -0.04 0.02 0.03 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.01 -0.00 0.01 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.01 -0.00 -0.00 0.01 -0.00 0.00 -0.01 -0.04 0.01 0.02 -0.05 -0.01 -0.06 0.10 0.03 0.00 0.06 -0.00 0.09 -0.08 -0.07 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.01 0.01 0.00 0.00 0.00 -0.00 0.01 -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 -0.01 -0.00 0.01 0.00 0.01 -0.00 -0.00 -0.00 0.01 -0.00 -0.00 -0.00 0.02 0.01 0.00 -0.03 0.01 0.00 -0.04 0.34 -0.02 0.02 0.08 -0.03 -0.36 -0.13 0.20 0.24 0.58 -0.20 -0.28 -0.15 0.33 0.01 0.00 -0.00 -0.00 0.01 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.01 -0.00 -0.00 0.00 0.00 0.01 0.01 -0.00 0.01 -0.00 -0.02 -0.05 -0.02 -0.03 0.13 0.21 -0.03 -0.04 -0.05 -0.06 0.00 -0.02 0.06 0.01 0.01 0.02 -0.00 0.02 0.02 -0.01 -0.17 0.00 -0.02 0.01 0.02 -0.00 -0.00 -0.01 -0.02 -0.03 -0.03 0.01 0.02 0.02 0.01 -0.01 -0.00 0.01 -0.02 -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 -0.24 -0.10 -0.03 -0.18 -0.08 -0.01 0.21 0.35 0.13 -0.02 -0.03 -0.02 0.02 -0.06 -0.01 -0.03 0.08 -0.05 -0.04 -0.01 -0.05 -0.02 -0.03 -0.03 0.10 -0.01 0.03 -0.21 -0.05 0.26 0.09 0.27 -0.16 -0.19 -0.20 0.41 -0.02 -0.05 -0.02 0.20 0.21 0.11 0.02 0.01 0.00 -0.01 0.01 -0.00 -0.02 -0.02 0.02 0.01 0.00 -0.01 -0.01 -0.02 0.01 0.01 0.00 -0.01 -0.01 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.01 0.00 -0.00 -0.01 -0.00 -0.01 -0.00 0.00 0.00 0.00 0.00 -0.00 0.02 -0.06 -0.04 -0.03 0.02 0.02 0.03 -0.08 0.03 -0.01 -0.06 -0.07 -0.02 0.05 0.01 0.01 0.03 0.04 -0.01 0.05 0.02 -0.03 0.05 -0.01 -0.01 0.02 0.05 0.03 0.00 -0.02 -0.06 -0.05 -0.03 0.04 0.04 0.03 0.01 -0.01 0.00 0.00 -0.01 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.21 0.07 0.09 -0.10 -0.09 -0.06 0.03 -0.18 -0.25 -0.03 -0.08 -0.04 0.03 -0.09 -0.04 -0.06 0.19 -0.11 -0.15 -0.04 -0.12 0.01 -0.10 -0.04 0.19 -0.05 0.08 0.04 -0.08 -0.01 0.04 -0.09 0.07 0.12 0.12 -0.15 -0.28 -0.08 0.10 0.46 0.42 0.23 0.00 -0.00 -0.01 -0.00 0.01 0.00 -0.01 -0.01 0.01 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 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 -0.05 0.00 -0.06 0.01 0.01 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.01 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.01 -0.01 0.00 0.01 -0.02 -0.00 0.01 0.00 -0.01 -0.01 0.00 0.01 -0.01 -0.01 0.01 0.09 0.00 0.11 -0.00 -0.00 -0.00 0.01 0.00 0.00 -0.01 -0.00 0.01 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.01 0.00 0.01 0.00 0.00 -0.00 0.00 0.00 -0.01 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.02 0.01 0.00 -0.01 0.01 -0.00 -0.03 0.02 -0.02 -0.02 -0.02 0.02 0.09 0.57 -0.31 -0.23 -0.03 -0.26 -0.30 -0.57 0.01 0.02 0.01 -0.00 0.01 -0.04 0.03 -0.03 -0.03 -0.02 -0.04 -0.05 0.01 0.09 -0.13 0.00 0.03 -0.02 -0.04 -0.06 -0.12 0.06 0.02 -0.05 -0.02 -0.04 0.01 -0.01 0.06 0.00 0.02 -0.04 -0.04 -0.02 -0.02 0.03 0.03 0.00 0.02 0.02 -0.01 0.04 0.01 -0.02 -0.01 -0.01 0.10 0.05 -0.04 -0.04 -0.03 -0.01 0.04 0.01 -0.00 -0.07 -0.00 0.05 -0.08 0.10 -0.01 -0.09 0.27 0.05 -0.08 -0.01 0.08 0.09 0.06 -0.07 0.10 0.09 -0.08 0.04 -0.02 0.01 0.07 0.01 0.05 -0.13 -0.09 -0.06 0.11 -0.01 -0.14 -0.02 -0.05 -0.02 0.02 -0.04 -0.03 -0.03 0.12 -0.07 -0.11 -0.03 -0.09 0.01 -0.07 -0.03 0.12 -0.04 0.06 -0.02 -0.07 0.06 0.07 0.02 0.00 0.03 0.03 0.02 0.12 0.05 -0.07 -0.23 -0.15 -0.02 0.16 -0.14 0.03 0.03 -0.38 0.02 0.30 0.25 -0.27 -0.03 0.10 -0.04 -0.01 0.06 -0.09 -0.11 -0.16 0.05 0.02 0.01 -0.00 -0.00 0.01 -0.01 0.01 0.01 0.00 0.01 0.01 -0.00 -0.03 0.02 0.00 -0.01 0.00 0.01 0.01 0.03 -0.01 0.08 -0.08 0.02 -0.07 0.03 -0.04 0.10 -0.03 0.08 -0.00 0.03 0.02 -0.03 0.05 0.04 -0.03 0.03 0.00 -0.02 0.04 -0.01 -0.04 0.00 -0.04 -0.00 -0.00 0.00 -0.04 -0.02 0.01 0.06 0.01 -0.03 -0.04 -0.02 -0.00 0.01 -0.01 0.00 0.02 -0.07 -0.01 0.02 0.00 -0.02 -0.02 -0.02 0.02 -0.02 -0.02 0.02 -0.00 0.01 -0.00 0.22 0.06 0.07 -0.25 -0.18 -0.13 0.15 -0.07 -0.16 0.03 -0.04 0.02 -0.00 0.08 -0.06 0.03 0.06 -0.04 -0.18 -0.03 -0.08 0.03 -0.07 -0.02 0.02 -0.05 0.04 -0.05 -0.16 0.13 0.15 0.04 0.01 0.13 0.15 -0.02 0.46 0.06 -0.27 -0.32 -0.28 -0.13 -0.12 0.03 -0.01 -0.01 0.11 -0.01 -0.07 -0.06 0.06 0.01 -0.00 -0.00 -0.00 -0.01 0.01 0.01 0.02 -0.01 0.01 0.01 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.01 0.01 0.00 0.02 -0.01 0.00 -0.07 -0.09 0.06 0.04 -0.01 -0.03 -0.06 -0.01 -0.01 -0.05 -0.02 -0.01 0.01 0.01 0.04 -0.01 0.01 0.03 0.04 -0.03 -0.07 0.03 0.01 0.00 0.02 0.02 -0.00 -0.01 -0.01 -0.02 0.00 -0.02 -0.03 -0.04 -0.01 0.02 -0.01 0.03 0.04 0.01 -0.01 -0.02 -0.01 0.01 -0.02 -0.07 -0.01 0.05 -0.05 0.04 0.04 0.05 -0.06 -0.04 0.03 -0.01 -0.03 0.03 0.07 -0.02 0.25 0.13 -0.06 0.01 0.01 -0.03 0.04 0.06 0.11 -0.05 0.04 -0.05 0.01 -0.10 0.04 -0.07 0.03 -0.01 -0.04 -0.00 0.00 0.07 -0.02 0.03 0.03 -0.03 0.03 -0.03 -0.03 0.05 0.05 0.04 -0.02 0.02 0.03 0.03 -0.16 0.01 0.14 0.02 -0.00 -0.01 0.01 -0.01 0.01 0.18 0.79 -0.24 0.07 0.01 -0.06 0.05 0.06 -0.03 0.01 0.01 -0.02 0.03 0.03 -0.05 -0.01 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.01 0.01 0.00 -0.02 -0.02 0.00 -0.05 -0.06 0.04 0.03 -0.01 -0.02 0.08 0.04 -0.02 0.08 0.02 0.04 -0.03 -0.02 -0.08 0.01 -0.04 -0.06 -0.06 0.05 0.12 -0.05 -0.01 0.01 -0.04 -0.03 0.02 0.02 0.01 0.03 0.02 0.05 0.05 0.05 0.00 -0.03 0.02 -0.04 -0.06 -0.03 0.01 0.04 0.00 0.01 -0.01 -0.04 -0.01 0.03 -0.03 0.02 0.03 0.03 -0.04 -0.02 0.02 -0.01 -0.02 0.02 0.04 -0.02 -0.45 -0.22 0.09 0.01 0.01 0.07 -0.08 -0.11 -0.22 0.09 -0.10 0.08 -0.01 0.15 -0.08 0.11 -0.02 -0.01 0.11 0.01 -0.02 -0.16 0.04 -0.07 -0.00 0.06 -0.05 0.05 0.06 -0.10 -0.10 -0.07 0.03 -0.05 -0.07 -0.05 0.27 -0.00 -0.23 -0.01 0.03 0.05 -0.06 -0.02 0.00 0.10 0.49 -0.15 0.04 0.01 -0.04 0.03 0.04 -0.02 0.01 0.01 -0.02 0.02 0.02 -0.03 -0.07 -0.03 0.01 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.01 -0.00 0.00 0.04 0.01 -0.00 -0.00 -0.01 0.00 0.00 -0.01 0.00 0.10 -0.09 0.22 0.03 0.08 -0.09 0.02 -0.02 0.04 -0.02 0.03 -0.01 -0.05 -0.05 0.02 -0.03 0.02 -0.07 -0.03 0.03 -0.09 -0.03 0.00 -0.04 -0.02 -0.03 -0.01 0.18 0.09 -0.01 -0.05 -0.04 -0.02 0.06 0.01 -0.02 0.01 -0.01 -0.00 -0.03 0.03 0.01 -0.02 0.00 0.02 0.02 0.00 -0.02 0.01 0.00 -0.01 0.00 0.00 -0.00 -0.27 -0.19 0.10 -0.09 -0.06 -0.15 0.00 0.06 0.29 0.05 0.19 0.05 -0.07 0.23 0.04 0.06 -0.14 0.08 -0.28 -0.01 0.07 0.16 0.00 0.10 -0.25 -0.11 0.03 -0.04 -0.10 0.09 0.09 0.05 -0.01 0.08 0.10 -0.01 -0.38 -0.09 0.18 -0.03 -0.06 -0.07 0.10 0.01 0.01 0.03 0.06 -0.04 0.05 0.03 -0.04 0.01 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.04 0.02 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.01 0.00 0.00 0.06 0.03 -0.00 0.01 0.00 -0.01 -0.01 -0.01 0.00 0.22 0.04 -0.04 -0.03 0.03 0.01 -0.02 -0.00 0.07 0.04 0.02 -0.01 0.04 -0.07 -0.09 -0.09 -0.01 0.01 -0.07 -0.03 0.02 -0.02 0.02 -0.03 -0.09 -0.07 -0.02 -0.13 -0.08 -0.01 -0.01 0.05 0.08 -0.00 -0.00 -0.00 -0.01 -0.01 0.00 -0.01 0.02 0.01 -0.01 -0.00 0.01 0.01 0.01 -0.01 0.01 0.00 -0.01 -0.00 -0.00 0.00 -0.19 -0.13 0.14 -0.10 -0.05 -0.02 -0.14 -0.01 0.36 0.18 -0.19 0.15 -0.01 0.25 -0.17 0.22 -0.01 -0.04 0.07 -0.01 -0.07 -0.25 0.03 -0.13 -0.04 0.09 -0.08 -0.03 -0.06 0.06 0.06 0.02 -0.00 0.07 0.10 -0.02 0.06 0.05 0.05 0.30 0.27 0.15 0.24 0.02 0.02 0.01 -0.04 0.00 0.03 0.02 -0.03 0.00 -0.00 -0.00 -0.00 -0.01 0.00 0.00 0.00 -0.00 0.03 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 -0.00 -0.00 0.00 -0.09 -0.04 0.15 0.03 0.01 -0.04 -0.03 -0.01 -0.01 0.02 -0.02 -0.06 0.05 0.03 0.02 0.04 0.01 -0.04 0.03 0.02 -0.06 -0.00 0.01 0.00 -0.07 0.00 0.06 -0.08 -0.10 -0.07 0.00 0.01 0.01 -0.04 -0.00 0.02 -0.00 -0.01 -0.00 -0.01 0.01 0.00 -0.01 0.00 0.01 0.01 0.01 -0.01 0.01 0.00 -0.00 -0.00 -0.00 0.00 -0.03 -0.02 -0.04 0.17 0.10 -0.05 -0.05 0.00 0.09 -0.06 0.18 -0.06 -0.03 -0.03 0.13 -0.10 -0.06 0.06 -0.13 0.01 0.11 0.20 0.00 0.11 -0.14 -0.10 0.05 0.01 0.01 -0.02 -0.02 -0.01 0.00 0.01 0.01 -0.03 0.56 0.06 -0.32 0.30 0.31 0.19 0.16 -0.00 0.01 0.01 -0.00 -0.01 0.02 0.01 -0.02 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.04 0.02 -0.00 -0.00 0.01 -0.00 0.00 0.00 0.00 0.00 -0.02 -0.00 -0.07 -0.06 0.01 -0.02 0.00 0.02 0.01 0.02 -0.01 0.03 -0.10 0.04 0.04 0.05 -0.02 -0.05 0.00 -0.00 -0.08 -0.05 -0.03 0.10 0.02 -0.01 -0.01 0.03 0.00 -0.01 0.04 -0.01 -0.00 0.01 0.00 0.22 0.04 -0.13 -0.09 -0.09 -0.05 0.02 0.06 0.07 -0.05 0.03 0.08 -0.02 0.06 0.00 0.05 -0.05 -0.03 0.04 0.00 -0.04 -0.04 -0.02 0.03 -0.02 -0.00 0.02 0.00 0.01 -0.00 -0.39 -0.22 0.11 0.18 0.08 -0.08 -0.08 0.05 0.22 -0.01 0.01 -0.01 0.00 0.03 -0.03 -0.02 0.07 -0.04 -0.14 -0.02 -0.05 0.04 -0.08 -0.01 0.01 -0.07 0.07 0.01 0.01 -0.02 -0.02 -0.00 0.00 0.01 0.01 -0.02 -0.26 0.02 0.26 -0.07 0.03 0.09 -0.53 -0.03 -0.02 -0.03 0.03 0.03 -0.11 -0.07 0.09 -0.01 0.00 0.01 0.01 0.02 -0.01 -0.01 0.01 0.01 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.01 -0.01 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.01 0.20 0.08 0.03 -0.06 -0.04 0.06 0.03 0.08 -0.06 -0.07 -0.02 0.01 0.04 0.02 0.00 -0.05 -0.04 0.00 -0.06 -0.02 -0.03 -0.00 -0.03 0.05 -0.02 -0.07 0.02 -0.05 -0.08 -0.03 0.01 0.03 0.00 0.04 0.06 0.01 0.01 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.19 0.12 -0.19 -0.47 -0.20 0.18 -0.17 -0.34 -0.30 0.07 0.09 0.06 -0.04 0.05 0.12 0.05 -0.19 0.10 0.12 0.04 0.15 -0.03 0.18 0.06 -0.14 0.08 -0.11 -0.04 -0.08 0.08 0.11 0.02 0.01 0.07 0.10 0.02 -0.05 -0.00 0.06 0.03 0.07 0.08 -0.14 0.01 -0.00 -0.00 -0.00 0.00 -0.01 -0.00 0.01 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.01 -0.00 0.00 0.00 0.00 -0.01 -0.01 0.00 0.01 -0.02 0.00 -0.09 -0.00 0.07 0.04 -0.02 -0.03 0.07 0.07 0.05 -0.08 -0.00 0.01 -0.05 -0.08 -0.04 0.00 -0.02 -0.03 -0.04 -0.01 0.02 -0.02 -0.02 -0.01 -0.01 -0.02 -0.02 0.04 -0.01 0.02 0.03 0.02 -0.00 0.02 -0.01 -0.04 0.01 0.00 -0.00 -0.02 0.01 0.03 -0.02 0.04 0.00 0.06 0.03 -0.04 0.01 0.03 -0.01 -0.02 -0.03 0.02 0.00 -0.00 -0.01 0.04 0.00 -0.03 0.42 0.20 0.02 0.08 0.05 -0.05 0.49 0.49 0.06 0.05 0.04 0.06 -0.02 0.10 0.00 0.06 -0.03 -0.01 0.01 0.01 0.05 -0.03 0.07 0.02 -0.07 0.03 -0.05 0.04 0.10 -0.08 -0.06 0.05 -0.05 -0.06 -0.10 -0.00 -0.01 0.00 0.01 0.06 0.08 0.07 0.03 -0.02 -0.00 -0.04 -0.14 0.05 -0.12 -0.10 0.10 -0.13 0.02 0.04 0.06 0.10 -0.06 -0.07 0.02 0.12 0.00 0.00 0.00 0.01 -0.01 0.00 -0.00 -0.01 -0.01 0.01 0.02 -0.00 -0.02 0.02 0.00 0.16 0.00 -0.13 -0.07 0.04 0.05 0.06 0.03 0.03 -0.06 -0.01 0.00 -0.06 -0.05 -0.00 -0.01 -0.01 -0.01 -0.01 0.02 0.02 -0.02 -0.01 -0.00 -0.01 -0.01 -0.01 0.04 -0.02 0.01 0.03 -0.00 -0.03 0.01 -0.02 -0.04 -0.01 0.01 0.01 -0.00 0.02 0.02 0.04 -0.04 -0.01 -0.09 -0.07 0.08 -0.01 -0.05 0.01 0.02 0.05 -0.02 -0.01 0.01 0.01 -0.08 -0.01 0.06 0.24 0.11 0.01 0.17 0.10 -0.05 0.39 0.35 -0.13 0.04 0.02 0.05 -0.01 0.08 -0.01 0.05 -0.00 -0.02 -0.01 0.00 0.02 -0.02 0.03 0.00 -0.05 0.01 -0.02 0.01 0.11 -0.05 -0.05 0.06 -0.06 -0.05 -0.08 0.03 -0.02 0.00 0.03 0.02 0.04 0.04 -0.25 0.03 0.00 0.07 0.30 -0.09 0.19 0.16 -0.15 0.24 -0.04 -0.08 -0.11 -0.18 0.10 0.13 -0.02 -0.22 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.01 0.00 -0.00 -0.02 -0.02 0.00 0.03 -0.01 -0.03 -0.02 0.01 0.01 -0.04 0.04 -0.01 0.01 0.03 0.01 0.07 -0.05 -0.11 0.03 -0.01 -0.04 -0.03 -0.04 0.02 0.01 -0.01 -0.00 0.01 -0.01 0.00 -0.04 0.03 0.02 0.03 0.06 0.04 -0.01 0.01 0.02 0.04 0.00 -0.03 -0.04 -0.02 0.00 -0.01 0.02 -0.00 -0.01 -0.02 0.01 0.01 -0.01 -0.01 -0.01 0.00 0.01 -0.01 0.00 0.00 -0.02 0.00 0.01 0.15 0.09 0.02 -0.42 -0.24 0.03 -0.12 0.08 0.75 -0.00 -0.00 -0.01 -0.00 -0.04 0.04 -0.02 -0.03 0.03 0.04 0.01 0.03 -0.00 0.04 0.02 0.02 0.02 -0.02 0.08 -0.14 -0.05 0.01 -0.08 0.08 0.02 0.03 -0.14 -0.03 0.00 0.01 0.01 0.04 0.03 -0.05 -0.02 0.00 0.01 0.10 -0.01 0.00 0.00 0.01 0.06 -0.01 -0.02 -0.02 -0.04 0.02 0.03 -0.00 -0.06 0.01 0.01 0.01 -0.01 0.01 0.01 -0.00 -0.00 0.00 0.01 -0.01 -0.00 0.01 -0.05 0.00 0.04 -0.03 -0.03 -0.04 -0.04 0.03 -0.01 0.02 0.06 0.02 -0.00 -0.02 -0.03 0.05 0.13 0.16 -0.01 -0.13 -0.13 -0.13 -0.12 0.00 -0.00 -0.02 0.01 -0.01 -0.02 0.02 -0.03 -0.04 0.03 0.09 0.09 -0.05 0.05 0.10 0.17 0.04 -0.05 -0.15 -0.09 -0.01 -0.05 0.08 -0.00 0.01 -0.02 -0.00 0.06 0.04 -0.05 -0.04 0.00 0.03 0.01 0.01 -0.03 -0.02 0.01 0.01 -0.10 -0.08 0.03 0.02 0.06 0.05 0.04 -0.11 -0.51 0.02 0.02 0.01 -0.02 0.02 0.06 -0.02 -0.04 0.02 -0.03 0.01 0.07 0.01 0.05 0.02 -0.07 -0.02 -0.01 -0.09 0.09 0.06 0.06 0.08 -0.07 0.03 0.03 0.15 -0.30 0.04 0.19 0.11 0.15 0.12 0.05 -0.05 0.01 -0.02 0.17 -0.00 -0.11 -0.18 0.31 0.10 -0.02 -0.02 -0.02 -0.04 0.03 0.04 -0.01 -0.09 -0.01 -0.00 -0.00 -0.01 0.02 0.01 -0.01 -0.01 0.01 0.00 -0.01 -0.00 0.06 -0.03 -0.00 0.06 -0.04 -0.04 -0.06 -0.09 0.05 0.01 -0.01 -0.02 -0.01 -0.01 0.00 0.01 -0.00 -0.02 -0.05 0.00 0.05 0.04 0.04 0.04 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.01 -0.03 -0.04 -0.03 0.03 -0.01 -0.03 -0.06 -0.02 0.02 0.05 0.03 -0.00 -0.07 0.09 -0.00 0.01 -0.01 -0.00 0.08 0.09 -0.06 -0.05 0.01 0.04 0.03 0.03 -0.08 -0.02 0.02 0.01 0.01 0.01 -0.02 0.05 0.02 -0.01 -0.02 -0.01 0.03 -0.00 -0.00 0.00 0.01 0.00 -0.02 0.01 0.02 -0.01 0.01 -0.00 -0.02 0.00 -0.02 -0.00 0.02 0.00 0.00 0.02 -0.01 -0.02 -0.00 -0.00 0.01 -0.01 -0.01 -0.02 0.10 -0.02 -0.08 -0.03 -0.05 -0.04 0.26 -0.04 0.02 -0.03 0.23 -0.01 -0.06 -0.39 0.75 0.12 -0.03 -0.03 -0.02 -0.03 0.03 0.05 -0.01 -0.11 0.00 0.00 0.00 -0.00 0.02 -0.00 0.00 -0.03 -0.01 -0.00 0.00 0.00 -0.02 0.02 0.00 -0.02 0.01 0.02 0.02 0.02 -0.02 -0.03 -0.00 -0.01 0.04 0.03 -0.01 -0.03 -0.03 0.02 0.01 0.01 0.00 0.00 -0.00 -0.01 0.01 0.01 -0.00 0.01 0.00 0.00 0.01 -0.00 -0.01 0.00 -0.00 -0.00 -0.01 -0.00 0.00 0.00 0.01 0.01 -0.00 -0.00 -0.00 0.03 -0.04 -0.00 -0.00 0.01 0.00 -0.02 -0.02 0.03 0.02 -0.00 -0.02 -0.06 0.00 -0.04 0.01 -0.01 -0.01 -0.08 -0.05 0.03 -0.24 -0.12 0.03 0.14 0.13 -0.03 -0.01 -0.03 -0.02 0.00 -0.04 0.01 -0.02 -0.02 0.03 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.01 -0.00 0.00 -0.01 0.03 0.01 -0.02 0.01 -0.02 -0.01 -0.02 0.02 0.00 0.01 0.01 0.02 0.02 0.01 -0.09 0.02 -0.01 0.01 -0.08 -0.00 0.73 0.03 0.54 -0.05 0.01 0.01 0.01 0.02 -0.01 -0.02 0.01 0.04 0.00 -0.00 -0.00 0.00 0.01 -0.00 0.00 -0.01 -0.01 0.00 0.00 0.00 -0.02 0.00 0.00 -0.01 0.01 0.01 0.01 0.01 -0.01 0.06 0.02 0.04 -0.10 -0.07 0.02 0.08 0.07 -0.06 -0.01 -0.02 -0.03 -0.02 -0.02 0.01 -0.02 -0.02 -0.00 -0.01 -0.00 -0.01 -0.04 0.00 0.01 0.02 0.02 0.02 -0.00 0.01 0.01 0.02 -0.00 -0.02 -0.01 -0.00 0.01 0.01 -0.02 0.00 -0.00 0.00 0.00 -0.01 -0.01 0.02 0.01 -0.00 -0.01 -0.03 0.00 -0.02 0.00 -0.00 -0.00 0.22 0.12 -0.07 0.56 0.29 -0.07 -0.35 -0.30 0.13 0.02 0.08 0.05 -0.01 0.11 -0.02 0.05 0.05 -0.06 -0.01 0.00 0.01 0.00 0.01 0.01 -0.03 -0.00 -0.01 0.01 -0.06 -0.01 0.03 -0.04 0.06 0.03 0.05 -0.04 -0.05 -0.01 0.02 -0.03 -0.02 -0.00 -0.07 0.01 -0.00 0.00 -0.04 -0.00 0.36 0.03 0.24 -0.02 0.01 0.00 0.00 0.00 -0.00 -0.01 0.00 0.02 -0.00 -0.00 -0.00 0.01 -0.01 -0.01 0.01 -0.01 -0.01 0.04 -0.01 -0.01 0.06 -0.08 -0.00 -0.01 -0.03 0.01 0.02 0.12 -0.03 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.01 0.00 0.01 -0.02 -0.01 0.01 0.01 0.02 0.01 -0.00 -0.01 0.00 -0.00 -0.00 -0.00 -0.00 -0.01 0.00 -0.01 -0.01 -0.00 0.01 0.00 -0.01 -0.02 -0.01 -0.00 0.01 0.01 0.00 -0.17 0.19 0.00 0.04 -0.05 -0.02 0.07 -0.11 -0.04 -0.06 -0.03 0.04 -0.13 -0.02 0.10 -0.01 0.03 0.01 -0.01 -0.01 -0.00 0.01 0.01 0.01 0.01 -0.01 -0.07 -0.00 0.02 0.01 0.00 0.02 -0.00 0.00 0.01 -0.01 0.01 0.00 0.00 0.01 0.00 0.01 0.01 0.00 -0.00 0.01 0.01 -0.03 0.03 0.03 -0.01 0.01 0.00 0.01 0.00 -0.01 -0.02 -0.03 -0.03 -0.02 0.56 -0.11 0.03 -0.04 0.12 0.03 0.48 0.40 -0.29 0.07 -0.02 0.00 -0.03 -0.06 0.03 0.01 -0.02 -0.07 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.01 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.01 0.01 -0.01 0.01 0.00 0.00 -0.01 -0.01 0.01 -0.01 -0.01 -0.00 0.02 0.00 -0.01 0.03 -0.10 0.04 0.08 -0.00 0.03 0.00 0.01 -0.01 -0.00 0.01 0.01 -0.00 0.01 0.01 -0.00 -0.00 -0.00 0.01 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.03 -0.00 -0.01 -0.07 -0.04 0.01 0.01 0.01 0.01 -0.23 0.40 -0.02 0.07 0.44 -0.10 -0.14 0.30 -0.31 -0.28 -0.14 -0.11 -0.24 0.05 -0.22 -0.33 0.10 -0.03 -0.00 -0.02 0.03 -0.01 -0.03 0.01 -0.02 -0.01 0.02 0.00 -0.00 -0.01 -0.02 -0.02 -0.01 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 0.01 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -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 -0.00 0.01 0.01 0.00 -0.00 -0.00 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 -0.06 -0.09 0.08 -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 -0.02 -0.02 0.02 -0.03 -0.00 0.03 -0.01 -0.00 -0.01 -0.02 0.03 -0.01 0.01 0.03 -0.01 -0.02 0.02 -0.02 0.00 -0.00 -0.01 -0.00 -0.00 -0.01 -0.00 0.00 -0.00 0.06 0.29 -0.44 0.14 0.54 -0.17 0.42 0.20 -0.37 -0.01 0.00 0.01 0.00 0.00 -0.00 -0.01 0.00 0.00 0.00 -0.01 -0.00 -0.01 -0.01 0.01 -0.01 0.00 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 0.00 -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 0.01 0.01 -0.00 -0.01 -0.01 0.01 -0.01 -0.01 -0.01 0.02 0.00 -0.01 0.01 -0.07 0.02 -0.11 -0.00 -0.04 0.00 0.00 -0.01 -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 -0.01 0.00 -0.01 -0.00 0.01 -0.00 -0.00 0.00 0.01 0.00 -0.01 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.05 -0.00 -0.03 -0.05 -0.05 -0.02 0.02 0.02 0.00 -0.14 0.30 0.02 0.05 0.31 -0.07 -0.06 0.22 -0.24 0.38 0.19 0.15 0.31 -0.03 0.33 0.47 -0.12 0.02 -0.01 0.00 0.02 -0.00 -0.01 0.00 -0.00 0.00 0.01 -0.00 -0.00 -0.00 -0.02 -0.02 -0.02 0.04 -0.00 -0.00 0.01 -0.01 -0.00 -0.02 -0.02 0.02 -0.01 0.01 -0.00 -0.00 -0.00 -0.00 0.00 0.01 0.01 -0.01 0.00 0.01 0.01 -0.01 0.00 -0.00 -0.01 -0.01 -0.09 -0.05 0.01 0.10 0.02 0.00 0.04 -0.06 -0.02 -0.01 -0.08 0.01 -0.03 -0.03 -0.02 0.00 0.00 0.01 0.03 0.01 -0.02 0.09 0.08 0.05 -0.10 -0.01 0.06 0.01 -0.02 0.01 -0.01 0.00 -0.00 -0.00 -0.00 0.00 -0.03 -0.05 -0.07 0.03 -0.02 -0.06 -0.00 0.03 0.04 -0.04 -0.03 -0.01 0.07 0.03 0.00 0.15 0.02 -0.11 -0.05 0.16 0.03 -0.11 -0.01 0.09 -0.03 -0.04 0.03 -0.02 0.02 0.01 -0.03 0.02 -0.04 0.02 -0.04 -0.05 -0.03 -0.05 -0.02 -0.10 0.09 -0.04 0.03 0.11 -0.05 -0.06 0.07 -0.07 0.07 0.03 0.01 0.06 -0.04 0.03 0.05 -0.03 0.02 0.01 -0.03 0.00 0.01 -0.01 0.01 -0.01 -0.01 -0.00 0.04 0.04 0.02 0.16 0.15 0.09 -0.48 0.06 0.01 -0.10 0.18 0.05 0.39 0.29 -0.35 0.15 -0.03 -0.04 0.03 0.09 0.01 0.06 -0.02 -0.12 0.01 -0.00 -0.01 0.00 -0.01 0.00 -0.00 -0.00 -0.00 0.03 0.01 -0.00 -0.15 0.01 -0.01 0.05 -0.02 -0.03 -0.01 -0.10 0.02 0.04 0.04 0.03 -0.00 0.00 -0.02 -0.05 -0.01 0.04 -0.12 -0.12 -0.07 0.15 0.01 -0.11 -0.02 0.02 -0.01 -0.00 -0.01 0.00 0.00 -0.01 0.01 0.04 0.08 0.12 -0.05 0.04 0.10 -0.01 -0.04 -0.05 0.07 0.03 -0.00 0.03 -0.06 0.02 0.13 0.03 -0.10 -0.09 0.18 0.06 -0.09 -0.02 0.07 -0.00 -0.03 0.01 -0.02 -0.02 0.01 0.04 -0.04 0.07 -0.05 0.04 0.07 0.05 0.08 0.05 0.12 -0.06 0.06 -0.04 -0.10 0.06 0.08 -0.06 0.04 -0.04 -0.01 0.00 -0.04 0.05 -0.00 -0.01 0.03 -0.02 -0.02 0.08 -0.02 -0.03 0.05 -0.03 0.07 0.04 -0.04 0.01 -0.05 -0.08 -0.20 -0.21 -0.13 0.42 -0.03 -0.04 -0.08 0.19 0.02 0.32 0.22 -0.29 0.13 0.02 -0.09 0.05 0.18 -0.00 0.10 0.03 -0.09 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.03 -0.02 0.00 0.01 0.00 -0.00 -0.00 -0.13 0.01 0.00 0.05 -0.01 0.01 0.01 0.00 -0.00 0.00 -0.00 -0.01 -0.00 0.01 -0.02 -0.02 -0.01 0.03 -0.00 -0.03 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.01 0.02 0.03 -0.00 0.02 0.03 -0.02 -0.01 -0.00 0.01 -0.00 -0.01 0.05 -0.00 -0.00 0.03 0.03 -0.02 -0.01 -0.04 0.01 -0.02 0.09 0.01 0.01 0.01 -0.01 0.03 0.15 -0.03 0.01 -0.01 0.02 -0.01 0.01 0.02 0.00 0.01 0.02 0.02 0.01 0.02 -0.01 -0.01 0.01 0.02 0.01 -0.01 -0.00 -0.00 -0.00 0.00 0.01 0.01 0.01 0.01 -0.01 -0.01 0.02 0.01 -0.02 0.00 -0.01 0.02 0.01 -0.01 0.05 -0.00 -0.05 -0.01 -0.02 -0.03 -0.15 0.01 -0.00 -0.06 -0.12 0.06 -0.06 -0.04 0.06 0.12 -0.46 0.36 -0.09 -0.39 0.07 -0.32 -0.46 -0.19 0.00 0.01 0.01 -0.00 0.00 0.00 -0.00 0.00 0.00 0.07 0.04 -0.01 -0.15 0.04 0.01 0.01 -0.01 -0.01 -0.00 -0.01 0.00 -0.02 -0.01 -0.01 0.00 0.00 0.02 0.02 0.00 -0.02 0.08 0.06 0.02 -0.08 0.01 0.08 0.01 -0.00 0.00 0.00 0.01 -0.01 -0.00 0.00 0.00 0.05 -0.08 -0.09 -0.02 -0.07 -0.08 0.07 0.03 -0.01 -0.03 0.03 0.06 -0.03 -0.08 0.02 0.03 -0.01 -0.02 -0.05 0.03 0.04 -0.00 0.02 0.00 0.02 -0.00 -0.02 0.01 0.04 -0.01 -0.05 0.07 -0.11 0.03 -0.09 -0.11 0.00 -0.02 -0.03 -0.05 -0.02 -0.05 0.01 0.04 -0.02 -0.06 -0.01 0.02 0.03 0.03 0.06 -0.01 -0.05 -0.05 -0.03 -0.08 0.06 0.04 -0.07 -0.02 0.04 0.02 0.01 -0.05 -0.04 -0.01 -0.26 -0.01 0.20 -0.07 -0.00 0.05 0.73 -0.03 -0.02 -0.02 -0.02 0.01 0.02 -0.01 -0.02 0.02 -0.19 0.15 -0.02 -0.14 0.03 -0.15 -0.19 -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 -0.02 -0.01 -0.01 0.00 0.01 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 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 -0.03 -0.00 -0.03 -0.00 0.00 -0.01 0.00 -0.00 -0.01 -0.00 -0.00 -0.00 0.02 0.00 0.02 -0.01 0.01 0.03 -0.01 0.01 -0.01 0.01 -0.00 -0.01 0.01 -0.01 0.00 -0.00 0.01 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -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 -0.01 0.01 0.46 0.05 -0.30 0.45 0.07 0.52 -0.33 -0.07 0.30 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 0.00 -0.02 -0.07 0.03 0.02 0.04 -0.02 -0.01 0.00 -0.00 0.00 0.00 0.02 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.02 -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 0.02 -0.02 0.00 0.00 0.05 -0.01 0.01 -0.06 -0.00 -0.01 0.04 0.01 0.00 0.01 -0.01 -0.04 -0.01 0.04 -0.06 0.09 -0.13 0.02 -0.11 -0.12 0.00 -0.00 -0.01 -0.03 0.14 0.04 0.04 -0.15 -0.15 0.25 0.01 -0.04 -0.01 0.07 0.22 -0.11 -0.01 -0.13 -0.01 -0.21 0.15 -0.01 0.00 0.02 -0.03 0.02 -0.02 0.01 -0.00 -0.03 -0.01 -0.00 0.01 -0.00 -0.00 0.00 0.03 0.00 -0.01 -0.04 -0.06 0.03 -0.08 -0.06 0.07 0.32 -0.02 -0.14 0.05 0.52 -0.14 0.27 -0.02 -0.36 -0.00 -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 0.04 -0.01 -0.01 -0.02 0.01 -0.01 0.01 -0.00 0.00 0.00 0.02 -0.00 -0.00 0.00 -0.00 -0.01 -0.01 0.01 0.00 -0.01 -0.03 0.00 0.02 0.02 0.01 -0.03 -0.00 0.00 0.00 -0.01 0.01 0.01 -0.00 0.01 0.01 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.01 0.02 -0.00 -0.00 -0.03 0.01 0.00 0.03 -0.00 0.01 -0.02 -0.00 -0.00 -0.01 0.00 0.02 0.01 -0.02 -0.05 0.07 -0.10 0.01 -0.09 -0.09 0.01 0.01 -0.00 -0.09 0.20 0.02 0.08 -0.23 -0.28 0.39 -0.02 -0.03 -0.06 0.11 0.39 -0.19 0.05 -0.19 0.01 -0.33 0.23 0.02 -0.02 -0.01 0.01 0.02 -0.00 -0.01 -0.01 -0.01 0.01 -0.00 -0.01 -0.01 -0.01 -0.01 -0.06 0.00 0.00 0.02 0.04 -0.02 0.04 0.03 -0.04 -0.17 0.03 0.06 -0.01 -0.29 0.10 -0.16 0.02 0.22 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.01 0.00 0.00 0.00 -0.00 0.01 -0.00 -0.00 -0.01 -0.01 -0.05 0.01 0.00 -0.01 0.00 0.00 0.00 -0.00 0.00 0.01 0.02 0.01 0.03 0.00 -0.02 -0.02 0.00 0.00 0.00 -0.00 -0.01 -0.01 -0.00 -0.01 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.01 -0.00 -0.00 -0.01 0.00 -0.00 0.01 0.00 0.00 0.00 -0.00 -0.01 -0.00 0.00 0.17 -0.22 0.34 -0.07 0.28 0.34 -0.02 -0.01 0.01 -0.33 -0.12 -0.28 0.13 0.11 -0.33 -0.06 -0.15 0.18 -0.16 0.01 0.23 -0.09 0.27 0.04 0.17 -0.04 0.00 0.00 -0.04 0.04 -0.04 0.01 -0.01 -0.02 -0.03 -0.04 -0.02 -0.00 0.01 -0.01 -0.01 -0.00 0.02 0.00 -0.00 -0.00 -0.01 0.00 -0.01 -0.01 0.01 0.06 -0.01 -0.02 0.02 0.06 0.01 0.01 -0.01 -0.03 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.01 0.00 -0.00 -0.02 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.01 0.00 0.00 0.00 0.02 -0.01 -0.01 -0.02 -0.01 0.01 0.02 -0.01 -0.01 -0.01 -0.00 0.01 0.01 -0.00 -0.01 0.00 -0.03 -0.02 -0.03 0.02 0.01 0.00 0.02 0.00 -0.01 -0.01 0.00 0.01 -0.01 -0.01 -0.01 -0.00 -0.01 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.03 0.06 -0.07 0.02 -0.06 -0.08 0.01 0.03 0.03 -0.11 0.00 -0.08 0.05 -0.03 -0.16 0.07 -0.05 0.05 -0.08 -0.04 -0.04 0.01 0.12 0.08 0.07 0.11 -0.09 -0.04 0.33 -0.28 0.35 -0.29 0.24 0.16 0.29 0.54 0.07 0.01 -0.03 0.05 0.04 0.02 0.03 -0.01 -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 -0.01 -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 -0.01 0.01 0.00 0.01 0.04 0.00 0.00 0.02 -0.01 -0.00 -0.00 0.01 -0.00 -0.01 0.00 0.02 0.01 0.00 -0.04 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 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.16 0.19 -0.31 0.10 -0.24 -0.32 -0.00 -0.02 -0.02 -0.14 -0.06 -0.13 0.06 0.01 -0.17 0.01 -0.09 0.10 -0.26 -0.12 -0.04 0.01 0.40 0.22 0.22 0.28 -0.24 -0.02 -0.07 0.12 -0.17 0.11 -0.10 -0.02 -0.08 -0.20 0.00 0.00 -0.00 0.01 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.01 -0.00 0.00 0.00 -0.00 -0.01 0.01 -0.00 0.00 -0.02 0.01 -0.01 0.01 0.02 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.01 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.02 0.01 0.02 -0.00 -0.01 -0.01 0.01 -0.00 -0.01 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.03 0.03 0.01 -0.00 0.00 0.01 -0.00 0.01 0.01 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.04 -0.00 -0.02 0.02 0.00 -0.02 0.02 0.03 -0.07 -0.00 -0.01 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.01 -0.03 -0.01 -0.01 0.01 0.04 0.03 0.02 0.03 -0.03 0.40 -0.43 -0.36 0.52 0.19 0.10 -0.35 -0.26 0.03 0.01 0.00 -0.01 0.00 -0.00 -0.01 -0.04 0.00 0.00 -0.00 -0.01 0.00 -0.00 -0.00 0.00 0.02 -0.01 -0.00 0.00 0.03 -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 0.01 0.00 -0.00 -0.02 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.03 -0.02 0.01 0.00 -0.00 -0.03 0.01 0.01 -0.00 0.00 0.02 0.02 -0.02 -0.01 0.00 -0.04 -0.00 0.01 -0.00 -0.01 0.02 0.00 0.00 0.00 0.02 -0.00 -0.01 0.02 -0.00 -0.02 0.00 0.01 0.01 -0.02 -0.02 -0.01 -0.01 -0.01 0.00 0.00 -0.00 -0.00 -0.01 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.08 -0.13 0.18 -0.06 0.14 0.19 -0.01 -0.01 -0.00 0.06 0.35 0.18 0.02 -0.35 -0.15 0.50 0.09 -0.17 -0.03 -0.10 -0.28 0.14 0.05 0.17 0.03 0.27 -0.20 0.00 -0.05 0.04 -0.04 0.03 -0.03 -0.03 -0.04 -0.06 0.04 0.01 -0.00 0.05 0.05 0.03 0.07 -0.01 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.01 -0.02 0.01 0.00 0.01 -0.00 -0.01 -0.02 -0.01 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.01 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.01 -0.03 -0.03 0.00 0.00 -0.00 -0.00 -0.00 -0.01 0.02 0.01 -0.01 -0.00 0.02 0.03 -0.01 -0.01 -0.03 0.02 -0.02 -0.02 -0.00 -0.00 -0.00 -0.03 -0.02 -0.01 -0.02 -0.01 0.00 0.01 -0.00 -0.01 0.01 0.02 0.01 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.06 0.09 -0.01 0.06 0.06 0.00 0.01 0.01 0.33 0.06 0.26 -0.14 -0.04 0.39 -0.07 0.18 -0.19 -0.32 -0.02 0.31 -0.16 0.45 0.05 0.29 -0.02 -0.02 -0.01 0.05 -0.04 0.04 -0.06 0.04 0.02 0.04 0.08 -0.08 -0.01 0.04 -0.06 -0.05 -0.02 -0.02 0.01 0.00 0.00 -0.01 0.00 0.00 -0.00 -0.00 0.00 -0.01 0.01 -0.00 0.02 -0.01 0.01 -0.01 -0.02 -0.02 -0.01 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.02 0.01 -0.00 -0.09 -0.02 0.00 0.01 0.01 -0.01 -0.00 0.00 0.00 0.03 -0.01 -0.05 -0.01 -0.01 0.00 0.02 0.03 0.02 -0.08 0.04 0.12 -0.04 -0.07 -0.08 0.00 -0.01 -0.01 0.00 0.00 -0.01 0.00 -0.00 0.01 0.16 0.06 -0.01 0.14 0.06 -0.03 -0.09 0.03 0.10 -0.09 -0.11 -0.09 -0.01 -0.01 0.00 0.00 0.00 -0.00 -0.01 -0.01 0.01 -0.00 -0.01 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.01 -0.01 0.01 0.01 0.02 0.01 -0.02 -0.04 -0.02 0.12 -0.08 0.06 -0.06 0.10 0.20 -0.17 0.06 -0.04 -0.09 0.05 0.23 -0.14 0.12 -0.08 0.11 -0.15 0.10 0.01 -0.09 0.06 -0.06 0.10 -0.06 -0.03 -0.06 -0.13 0.46 0.08 -0.20 0.37 0.29 0.12 0.18 -0.03 -0.02 0.00 0.03 -0.01 -0.01 -0.01 0.01 -0.01 -0.03 0.02 -0.01 -0.02 0.00 -0.02 -0.03 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.02 0.01 -0.00 0.04 -0.01 -0.00 -0.02 0.18 0.01 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 -0.01 -0.01 0.01 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.01 0.01 0.01 0.00 0.01 0.01 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.05 0.03 -0.00 -0.01 -0.08 0.02 -0.03 0.05 0.02 0.05 -0.08 -0.03 0.01 -0.01 -0.00 -0.01 -0.01 0.01 -0.00 0.01 -0.01 0.00 -0.01 -0.01 0.00 0.00 0.00 -0.01 -0.01 -0.01 0.00 0.01 -0.01 -0.01 -0.01 0.01 0.01 0.00 -0.00 0.00 -0.01 -0.01 -0.01 -0.00 0.00 -0.01 0.01 0.02 -0.02 -0.00 -0.01 0.01 0.00 -0.01 0.01 -0.00 -0.01 0.00 0.00 -0.00 -0.11 0.00 0.01 0.07 -0.01 -0.05 0.04 0.01 -0.04 0.27 -0.51 0.23 0.07 0.36 -0.08 -0.16 -0.52 -0.32 0.00 0.00 0.00 0.01 -0.01 -0.00 0.00 -0.01 -0.01 0.02 0.03 0.00 -0.07 0.03 0.01 -0.09 -0.05 0.07 -0.06 -0.17 0.07 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.01 0.01 0.01 -0.01 -0.01 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.02 -0.00 -0.00 -0.00 -0.01 -0.01 -0.00 0.00 0.00 0.00 0.01 0.01 0.08 -0.17 -0.01 -0.20 0.20 0.12 0.41 0.17 -0.35 0.04 -0.01 -0.03 -0.19 -0.05 0.17 0.03 0.04 -0.02 0.00 -0.01 0.01 -0.00 0.00 0.01 -0.00 -0.00 0.01 0.00 0.00 0.00 -0.00 0.00 0.01 -0.01 0.01 -0.01 -0.00 0.00 0.00 0.00 0.01 0.00 0.01 -0.00 -0.00 0.01 -0.01 -0.01 0.01 0.01 0.00 -0.01 -0.01 -0.00 -0.00 -0.00 0.01 -0.01 -0.00 0.00 0.02 0.03 -0.01 0.04 -0.03 -0.03 0.30 0.37 -0.28 0.08 -0.18 0.11 0.05 0.09 -0.03 -0.10 -0.19 -0.09 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.07 -0.04 0.01 -0.03 0.01 0.00 0.06 0.15 -0.06 -0.01 0.05 0.01 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.03 0.01 -0.01 -0.02 -0.01 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.02 -0.02 -0.00 -0.02 -0.01 0.00 0.03 0.03 0.01 0.13 -0.03 -0.00 0.04 0.32 -0.07 0.03 -0.22 -0.01 -0.10 -0.31 0.11 -0.00 0.04 -0.00 -0.01 -0.01 0.00 0.00 -0.01 0.01 0.01 0.01 0.01 -0.01 -0.01 -0.02 -0.00 0.01 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.01 0.00 -0.00 -0.00 0.01 0.00 0.01 0.00 0.00 -0.00 0.01 -0.01 -0.02 0.02 0.00 0.01 -0.01 -0.00 0.01 -0.01 -0.01 -0.00 -0.04 -0.04 -0.02 0.11 -0.01 -0.03 0.02 0.67 -0.10 -0.19 -0.11 0.18 -0.06 -0.14 0.13 -0.03 -0.14 0.03 -0.14 -0.14 0.04 0.01 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.20 -0.13 0.03 -0.13 -0.04 0.01 -0.03 0.04 0.02 0.01 -0.00 -0.00 -0.01 -0.01 0.00 -0.00 0.01 0.01 0.01 0.01 0.01 0.11 0.05 -0.02 -0.12 -0.10 -0.05 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.10 0.06 0.03 -0.08 -0.06 -0.03 -0.14 -0.05 0.03 0.15 0.11 0.04 0.36 0.29 -0.06 -0.08 -0.17 0.06 0.01 0.04 -0.01 0.05 0.03 -0.05 0.00 -0.00 -0.00 -0.00 -0.01 0.00 0.00 -0.00 0.02 0.00 0.00 0.00 -0.01 -0.02 -0.02 -0.01 0.02 0.00 0.00 0.00 0.00 0.00 0.01 -0.01 0.00 -0.00 -0.00 0.02 0.01 0.02 0.01 0.01 -0.01 0.01 -0.02 -0.00 0.02 0.02 -0.01 -0.01 -0.01 -0.00 0.11 -0.03 -0.12 -0.13 -0.14 -0.09 0.64 -0.09 -0.02 0.05 -0.13 -0.02 0.02 0.01 -0.02 0.03 -0.01 -0.02 0.02 0.09 -0.02 0.01 -0.02 -0.02 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.13 -0.08 0.02 -0.06 0.01 0.01 -0.01 0.03 0.01 0.00 0.00 -0.00 0.02 0.00 -0.01 0.00 -0.01 -0.01 -0.02 -0.02 -0.02 -0.21 -0.06 0.08 0.21 0.16 0.07 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.01 -0.17 -0.11 -0.03 0.13 0.07 -0.02 0.29 0.09 -0.09 -0.25 -0.17 -0.04 0.25 0.14 -0.03 -0.04 -0.05 0.03 0.02 0.00 -0.01 0.02 -0.01 -0.01 -0.00 0.00 0.00 -0.00 -0.01 0.00 -0.00 -0.00 -0.02 0.00 0.00 0.01 0.01 0.02 0.03 0.01 -0.02 0.00 -0.00 0.00 0.00 -0.01 -0.01 0.01 -0.01 0.00 0.01 -0.03 -0.00 -0.03 0.00 -0.01 0.02 0.02 0.02 -0.04 0.02 -0.02 0.02 0.01 0.01 0.02 -0.31 0.04 0.27 0.17 0.22 0.18 0.45 -0.03 0.00 0.02 -0.01 -0.02 -0.00 0.00 0.00 0.01 -0.01 -0.00 0.01 0.03 -0.01 0.00 -0.02 -0.01 0.01 -0.01 -0.02 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.01 -0.01 -0.00 -0.05 0.02 0.02 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.01 0.02 0.05 -0.01 -0.00 0.00 -0.01 -0.03 -0.03 0.15 -0.14 -0.32 0.02 0.16 0.22 -0.00 0.01 -0.00 0.01 -0.00 -0.00 0.00 0.01 0.00 0.08 -0.18 -0.31 -0.09 0.23 0.39 -0.17 0.05 0.20 -0.01 -0.14 -0.19 0.03 0.01 0.00 -0.01 -0.01 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.01 0.01 -0.00 0.03 0.01 -0.01 0.01 0.02 0.01 -0.01 -0.00 -0.02 0.00 -0.02 -0.02 0.03 -0.03 0.03 0.01 -0.01 -0.02 0.02 -0.02 0.00 -0.06 0.02 -0.01 0.00 0.02 0.00 -0.01 -0.06 0.02 -0.01 0.01 0.03 0.33 0.10 -0.07 0.24 0.06 -0.10 0.28 -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 -0.01 0.01 -0.01 0.01 -0.01 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.01 0.04 -0.01 -0.01 -0.00 -0.01 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.03 0.07 0.04 0.09 -0.14 0.12 -0.10 0.10 -0.04 -0.31 -0.12 0.40 0.49 0.00 0.16 -0.07 -0.39 -0.42 0.03 -0.12 0.03 0.06 0.03 -0.07 0.00 0.09 0.12 0.01 0.00 0.00 0.00 -0.01 -0.02 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.02 -0.02 0.04 -0.02 0.02 -0.01 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.03 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 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.07 -0.18 -0.12 -0.27 0.41 -0.36 0.21 -0.21 0.08 -0.02 -0.01 0.02 0.03 0.00 0.01 -0.00 -0.03 -0.03 0.11 -0.39 0.11 0.19 0.10 -0.21 0.02 0.27 0.35 -0.04 -0.02 -0.02 -0.02 0.04 0.07 0.03 -0.03 0.01 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.01 -0.02 0.02 -0.01 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.01 -0.00 -0.01 0.00 -0.03 0.04 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.04 0.10 0.07 0.08 -0.12 0.10 0.24 -0.24 0.09 0.01 0.01 -0.02 -0.03 0.00 -0.01 0.00 0.01 0.02 0.03 -0.09 0.03 0.05 0.03 -0.05 0.00 0.07 0.09 0.25 0.11 0.14 0.15 -0.23 -0.45 -0.42 0.48 -0.12 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.01 -0.02 0.02 -0.03 0.03 -0.01 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.02 -0.00 0.03 -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 0.03 -0.07 -0.04 -0.17 0.25 -0.22 0.36 -0.36 0.13 -0.11 -0.04 0.15 0.17 -0.00 0.06 -0.02 -0.15 -0.16 -0.11 0.37 -0.11 -0.19 -0.10 0.21 -0.02 -0.27 -0.35 -0.02 -0.01 -0.01 -0.01 0.02 0.04 -0.04 0.04 -0.01 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.01 -0.01 0.04 0.04 -0.04 0.01 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.01 0.00 0.01 -0.01 -0.01 0.02 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.10 -0.24 -0.17 -0.22 0.33 -0.29 -0.44 0.44 -0.16 -0.02 -0.01 0.03 0.05 -0.00 0.02 -0.00 -0.02 -0.02 -0.03 0.10 -0.03 -0.05 -0.03 0.06 -0.01 -0.08 -0.10 0.15 0.07 0.09 0.10 -0.15 -0.29 -0.15 0.18 -0.05 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.01 -0.04 0.01 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.01 0.00 0.00 0.00 0.01 0.01 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.24 0.34 0.48 0.34 -0.14 -0.28 -0.41 0.32 -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 0.02 -0.05 -0.02 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.02 -0.00 0.01 -0.00 -0.04 0.05 0.03 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.19 0.47 0.34 -0.11 0.16 -0.15 0.01 -0.01 0.00 0.08 0.03 -0.10 -0.03 0.00 -0.01 -0.02 -0.09 -0.09 0.02 -0.07 0.02 -0.02 -0.01 0.02 -0.00 -0.03 -0.04 0.01 0.02 0.01 0.14 -0.22 -0.46 0.31 -0.36 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 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.01 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.01 0.03 0.02 -0.08 -0.03 -0.01 0.01 0.01 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.03 -0.09 -0.06 0.02 -0.02 0.02 0.02 -0.02 0.01 0.11 0.05 -0.14 -0.06 0.00 -0.01 -0.03 -0.15 -0.16 -0.18 0.59 -0.19 -0.07 -0.06 0.07 0.03 0.39 0.53 -0.01 -0.00 -0.00 0.03 -0.04 -0.09 0.06 -0.07 0.02 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.02 -0.05 -0.01 0.01 -0.01 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.01 0.01 0.03 0.00 -0.00 -0.01 0.03 -0.04 -0.03 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.17 0.43 0.32 -0.11 0.16 -0.15 -0.12 0.12 -0.04 0.16 0.07 -0.20 -0.06 0.00 -0.01 -0.03 -0.18 -0.19 -0.01 0.02 -0.01 -0.04 -0.02 0.04 0.00 0.04 0.05 0.04 0.00 0.01 -0.14 0.20 0.43 -0.27 0.32 -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 0.01 -0.03 -0.01 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.01 -0.03 -0.07 0.01 -0.03 -0.01 0.00 -0.01 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.10 0.26 0.19 -0.06 0.10 -0.09 -0.03 0.03 -0.01 -0.26 -0.11 0.32 0.32 -0.01 0.09 0.07 0.46 0.48 -0.06 0.21 -0.07 -0.01 -0.01 0.01 0.01 0.13 0.18 0.01 0.01 0.01 -0.02 0.03 0.06 -0.03 0.04 -0.01 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.01 -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 0.01 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.09 -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 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.03 -0.07 -0.06 0.02 -0.03 0.03 0.02 -0.02 0.01 0.36 0.15 -0.48 0.72 -0.01 0.25 -0.00 0.07 0.08 0.02 -0.06 0.02 -0.02 -0.01 0.03 -0.00 -0.02 -0.03 -0.01 -0.00 -0.00 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 0.00 0.00 -0.01 0.00 0.01 0.01 -0.01 0.01 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 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 -0.07 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 0.01 -0.04 -0.03 0.01 -0.02 0.02 0.01 -0.00 0.00 -0.04 -0.02 0.05 -0.02 0.00 -0.01 0.00 0.02 0.02 0.11 -0.35 0.09 -0.57 -0.29 0.61 0.02 0.15 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 -0.00 0.00 -0.00 -0.00 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 -0.05 -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 0.01 -0.03 -0.02 0.01 -0.01 0.01 0.04 -0.04 0.02 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.75 0.36 0.42 -0.08 0.09 0.19 0.16 -0.20 0.04 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.03 -0.07 -0.04 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.32 0.86 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 -0.06 -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 -0.02 0.00 -0.01 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.26 0.39 0.53 -0.05 0.02 0.02 0.47 -0.38 0.35 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.06 0.05 0.05 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 -0.01 0.00 0.01 0.00 -0.00 -0.00 -0.12 -0.15 -0.22 0.65 -0.27 -0.53 0.24 -0.19 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 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.03 -0.05 -0.06 -0.02 0.01 0.03 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.31 0.58 0.63 0.24 -0.10 -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 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.02 -0.02 -0.02 0.05 -0.02 -0.06 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.14 0.26 0.28 -0.53 0.21 0.71 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -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 0.05 -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 0.77 -0.25 -0.59 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 -0.01 -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 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.07 0.99 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 9 9 9 8 7 7 7 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 298.150 1.00000 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 9 9 9 8 7 7 7 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 18.99840 18.99840 18.99840 15.99491 14.00307 14.00307 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 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 351.15585 0.99979 0.00782 0.01903 -0.00687 0.99875 -0.04956 -0.01939 0.04942 0.99859 asymmetric 1 0.01752 0.00779 0.00753 0.36500 0.16233 0.15681 938898.1 40.41 50.39 59.07 88.21 100.73 120.02 125.60 136.93 170.73 176.52 192.19 205.26 274.46 299.03 303.10 321.81 350.48 380.16 398.04 411.90 423.92 434.55 460.96 471.18 497.66 528.64 560.61 608.43 609.40 622.19 652.67 697.27 704.38 748.11 794.07 804.28 819.22 839.69 886.18 906.34 918.61 959.82 973.29 1025.75 1068.77 1109.89 1123.90 1143.14 1174.71 1194.02 1231.88 1263.42 1275.69 1335.32 1342.22 1377.03 1378.11 1382.59 1391.56 1456.01 1471.20 1475.71 1509.26 1523.19 1565.97 1575.09 1603.32 1640.49 1656.27 1660.94 1683.10 1725.74 1728.28 1746.36 1765.26 1791.55 1798.70 1836.85 1885.43 1888.34 1906.76 1938.80 1945.13 1955.38 1955.53 1984.03 2006.74 2022.34 2028.98 2039.61 2044.99 2078.78 2104.00 2108.01 2120.43 2121.08 2124.72 2130.44 2133.57 2135.77 2139.15 2148.62 2165.86 2174.72 2197.02 2255.74 2314.07 2336.58 2366.41 4341.56 4346.98 4352.63 4353.61 4361.31 4407.80 4434.96 4437.45 4438.24 4442.40 4446.59 4467.12 4489.53 4513.36 4515.99 4553.07 4585.63 4611.00 4714.60 5118.33 0.357607 0.381196 0.382140 0.304468 -1237.035406 -1237.011818 -1237.010873 -1237.088546 239.204 90.048 163.476 0.000 0.000 0.000 0.889 2.981 43.462 0.889 2.981 34.802 237.427 84.087 85.212 1 0.593 1.984 5.960 2 0.594 1.982 5.522 3 0.594 1.981 5.207 4 0.597 1.973 4.415 5 0.598 1.968 4.153 6 0.600 1.961 3.809 7 0.601 1.958 3.720 8 0.603 1.953 3.551 9 0.609 1.934 3.122 10 0.610 1.930 3.058 11 0.613 1.920 2.894 12 0.616 1.911 2.768 13 0.634 1.853 2.220 14 0.641 1.829 2.063 15 0.643 1.825 2.038 16 0.649 1.805 1.929 17 0.659 1.773 1.776 18 0.671 1.739 1.634 19 0.678 1.717 1.554 20 0.684 1.699 1.496 21 0.689 1.684 1.447 22 0.694 1.670 1.406 23 0.706 1.635 1.308 24 0.711 1.621 1.272 25 0.724 1.584 1.185 26 0.740 1.539 1.091 27 0.758 1.492 1.002 28 0.785 1.420 0.882 29 0.786 1.419 0.880 30 0.793 1.400 0.851 31 0.812 1.353 0.785 32 0.841 1.284 0.698 33 0.845 1.273 0.685 34 0.875 1.206 0.610 35 0.907 1.136 0.540 36 0.915 1.120 0.526 37 0.925 1.097 0.505 38 0.940 1.067 0.479 39 0.976 0.998 0.423 0.277043e+25 24.442547 56.281045 0.118965e+10 9.075418 20.896923 0.100000e+01 0.000000 0.000000 0.258645e+09 8.412704 19.370966 0.900379e+07 6.954425 16.013156 ater ./ancestor::cml:module[@dictRef='cc:finalization']/cml:molecule[@id='mol9999'] 8.2934 4.6223 -2.9233 9.9344 -192.9107 -137.0891 -133.8051 -16.2910 -0.7224 0.1757 -38.3091 17.5125 20.7965 -16.2910 -0.7224 0.1757 53.3791 13.9377 -29.0266 24.7286 58.5324 24.0602 4.3038 11.9067 -30.7936 8.0934 -6663.8612 -2011.8111 -1798.1818 -234.5176 -104.1598 -25.2799 -41.8585 -89.9030 -1.3179 -1435.5384 -1261.4253 -573.6517 47.4039 -46.8498 -49.0429 (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A) (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(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 -1237.3930137 1.379E-9 4.589E-6 0.3576074 0.3811962 -1237.0118175 -1237.0108733 -1237.0885461 -21.2348154,15.0557863,6.1790291,-5.0377193,-19.073955,-3.1345517 C01 [X(C18H20F3N3O1)] 2.5083624 1.1628787 2.7626289 -1.1871393 -0.3047283 -0.7556191 -0.2401853 -0.4384208 -0.1740355 -0.8739826 -0.2442822 -0.8517489 -0.6628502 0.1952429 0.241676 0.074563 -0.6682313 -0.3225169 0.2281978 -0.497267 -0.9157903 -1.1700938 0.0234022 -0.3776766 0.1929417 -0.5088678 0.0467268 -0.5030582 -0.0467107 -0.6608869 -1.8653482 -0.2406593 -0.7074483 -0.2464674 -0.6439567 -0.1181427 -0.9479379 -0.0622853 -1.8116108 -1.9324752 -0.3708369 -0.2861852 -0.5180673 -0.723907 -0.0295991 0.3185241 0.1298995 -0.6390274 -0.1621601 0.0183945 -0.0352263 -0.0416791 -0.1377084 -0.0873397 -0.0428934 -0.0637677 -0.7647374 -0.3109051 -0.0422427 0.2591927 -0.0577341 -0.3428882 0.3170358 0.3692761 0.3951607 -0.6033348 0.3347356 -0.0713835 -0.0135148 -0.0869083 0.2361889 -0.0557732 -0.0546731 0.0572473 0.1777713 0.0447576 -0.0288866 -0.1222857 0.0031826 0.1775862 -0.0723595 -0.1452193 -0.0506369 0.0412009 0.0982604 -0.0863672 -0.0336853 -0.0066371 0.1379516 0.0236383 -0.044152 0.0362257 0.2317333 -0.2521656 -0.1606643 -0.0163057 -0.1769563 -0.1340837 -0.259743 0.0384362 -0.2900719 -0.0367432 -0.1209147 0.2173106 0.0169578 0.0961158 0.1733234 0.0513156 -0.0963401 0.0178295 -0.1634187 -0.0100978 0.0783765 -0.0016256 0.0653175 0.0101881 0.067897 0.0678078 -0.0242298 0.0590598 0.01872 -0.0310351 0.009906 0.0395843 0.0638783 0.0347223 -0.0217209 -0.0053313 0.0783326 0.1213857 0.0347033 -0.0698845 0.0077909 0.0392189 -0.0301259 -0.0418111 0.0375834 0.0625806 0.9113801 0.0793745 0.3982449 0.0165726 0.1301974 0.0405091 0.605067 0.1205837 0.2153894 1.1615821 0.3132689 0.823893 0.2650024 0.5536789 0.2306019 0.903202 0.247398 0.8285195 -0.1917288 0.0706495 0.0577189 -0.0073226 -0.0162313 -0.0363676 0.1128094 0.0489691 -0.0762197 -0.2537521 -0.0598757 0.0202888 0.1164035 -0.1624066 0.0790409 -0.0325058 -0.0606582 -0.2031557 3.0973887 0.6635286 0.600907 1.025717 0.7370588 -0.0353939 0.1750902 -0.3015729 2.4431343 -0.2531492 -0.0734724 0.0174707 -0.1379196 -0.2283923 0.1419959 0.0795969 0.1514336 -1.0301283 0.013936 0.1352229 -0.3541619 0.0985787 0.0590267 -0.3751148 -0.3271999 -0.4016132 0.1706315 -0.0263344 -0.060903 0.0447065 -0.0192997 -0.0647772 -0.1471198 0.0014087 0.0125969 0.7547284 1.9430302 -0.0839966 0.2152987 -0.1147425 1.4385802 0.3660529 0.3585381 0.6002067 1.6612816 0.2252306 -0.0351825 0.1033419 -0.0366766 0.1864931 0.1611492 0.0541656 0.0523148 0.7423342 0.0558114 -0.0586104 0.0142564 -0.0145572 -0.192076 0.1005555 0.0037521 0.1454106 0.0155781 -0.0882445 0.0767397 0.1250749 0.0285245 0.0475937 -0.0331568 0.1457167 -0.0772193 -0.1072063 -0.0772696 -0.0575595 0.0848558 -0.0549365 -0.054232 -0.0031757 0.1070037 -0.0045981 -0.0437272 0.0601521 -0.0765108 -0.0492887 -0.0678089 -0.0712488 -0.1573919 -0.0241794 -0.1061578 -0.0714689 -0.2015008 0.0133692 0.0106588 0.0143975 0.0953941 0.0079449 -0.0293421 -0.0033547 0.0551683 0.0893046 0.0562516 -0.0077094 0.0681605 -0.1485038 0.1537233 -0.0389845 0.1569028 -0.0562346 -0.0394221 -0.0050542 0.0887664 -0.0228284 0.093486 0.0393233 0.1476828 0.0304631 -0.1452891 -0.0046748 -0.0325846 -0.0690302 -0.0975291 -0.0017721 -0.1443517 -0.090414 -0.1160068 -0.0369756 0.0070996 0.0667278 -0.0432353 0.1046374 -0.1746895 0.1145498 -0.0393426 0.1106577 0.0621684 -0.1081853 0.0591906 -0.1228012 0.0897016 0.088177 0.0502446 -0.106148 -0.0014339 -0.0051481 0.0985959 -0.0283216 0.0018755 -0.0386134 -0.2454657 -0.0373761 -0.017882 -0.0137149 0.0414678 -0.0877349 -0.0389107 0.1599879 -0.0740367 0.0716524 0.0374597 0.0929811 -0.0110494 -0.0629975 0.1144173 0.0657471 -0.0863194 0.0628628 0.0146758 0.0690309 -0.0791728 0.0659534 0.129687 0.1303209 -0.0672658 -0.0532699 -0.0757893 -0.0105413 -0.0231436 -0.06849 -0.0081251 0.1688404 0.1551573 -0.0536375 -0.0544936 -0.1668632 0.3513277 -0.0127223 -0.1328676 -0.0151222 0.3139302 0.2019323 -0.0688457 -0.0157484 -0.0598915 0.154359 -0.0041251 -0.0366628 -0.0086961 0.1382774 0.0152115 -0.0457686 0.0098664 -0.0312607 -0.0173777 0.0493653 -0.0077896 0.0102487 -0.002659 0.0781774 0.0727075 -0.0850404 0.1007619 -0.0133031 0.0451289 -0.0332148 -0.0220397 -0.0616757 0.0838214 -0.0849727 -0.0318576 -0.0919762 0.0095362 -0.027363 0.0197809 0.0408238 0.0220273 -0.0542618 0.0280684 0.0874681 0.0158707 0.1295089 -0.0415739 0.0069473 -0.0319637 -0.0636578 333.2509287|32.3559706|339.8657208|42.66443|-8.5745189|342.123794 0.000004295 0.000000694 0.000000632 -0.000003980 0.000002902 0.000007623 -0.000008848 0.000003601 0.000000639 0.000003889 -0.000002423 0.000003850 -0.000001444 0.000001112 0.000009323 -0.000026657 -0.000005006 0.000001972 0.000018463 0.000001100 -0.000001199 0.000000698 -0.000002907 -0.000003120 0.000001472 -0.000001080 -0.000000191 -0.000002297 0.000005124 0.000006773 0.000004098 0.000003259 0.000003209 -0.000000342 -0.000001217 -0.000000248 -0.000000585 -0.000000056 0.000000088 -0.000002522 -0.000001217 0.000000248 -0.000000802 -0.000003579 -0.000002312 -0.000004202 -0.000007505 -0.000002885 -0.000003514 -0.000003995 -0.000004707 0.000002038 0.000001022 -0.000002581 0.000000985 -0.000000274 -0.000002588 -0.000003822 0.000013941 -0.000011187 -0.000005847 -0.000007493 0.000004305 -0.000003280 0.000002496 0.000005385 0.000015345 -0.000002481 -0.000000536 0.000008112 0.000000363 -0.000007923 0.000002398 0.000007945 -0.000004872 -0.000000944 -0.000000600 0.000001660 -0.000001840 -0.000002579 0.000001387 0.000001678 -0.000003030 -0.000001862 0.000000320 0.000000217 -0.000000037 -0.000001629 0.000000818 0.000001120 -0.000000557 0.000000752 0.000000884 0.000000184 -0.000002453 -0.000000254 0.000000539 -0.000001727 -0.000001107 -0.000000076 -0.000000812 0.000000425 0.000001819 -0.000002849 0.000000431 -0.000002979 -0.000000656 0.000000449 -0.000000939 -0.000002016 0.000001304 0.000001285 -0.000000615 -0.000001312 0.000001910 -0.000001442 -0.000001631 0.000000688 -0.000000267 -0.000000545 0.000001503 0.000002387 -0.000002411 -0.000001174 0.000001090 0.000001074 0.000000422 0.000001816 0.000000938 0.000002918 0.000005181 0.000001733 0.000003220 0.000002462 -0.000001945 331.20730959999975 AuxInfo=1/0/N:8;9;10;11;12;13;14;15;16;17;18;19;20;21;22;23;24;25;1;2;3;5;6;7;4;26;27;28;29;30;31;32;33;34;35;36;37;38;39;40;41;42;43;44;45/rA:45nF0F0F0O0N0N0N0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:3.8596,2.071,1.3865;-2.6191,-2.3659,-1.4777;-4.5234,-1.3158,-1.1012;-2.5371,.5477,-2.5275;-.4457,1.2302,-2.0236;-1.8538,.2642,1.9416;-2.6094,-.7875,1.5676;2.8457,-.7544,.9876;2.2715,-1.8131,.0124;1.0337,-1.1814,-.6638;2.4073,.5315,.3018;1.3486,.3054,-.5909;2.149,-.8375,2.3634;4.3625,-.9055,1.1537;.7807,-1.7498,-2.0633;.716,1.3899,-1.2069;2.8442,1.8287,.5022;1.2078,2.6847,-1.0088;2.2863,2.9119,-.1606;-1.6509,.7107,-1.6728;-1.8783,.3472,-.2598;-2.6444,-.738,.2371;-1.3863,.9585,.887;-3.3908,-1.8106,-.4735;-1.5533,.4948,3.3498;2.0357,-2.7518,.5188;3.0205,-2.0273,-.7577;.1495,-1.3719,-.0456;2.4743,-.0199,3.0128;1.0619,-.7757,2.2605;2.3957,-1.7848,2.8522;4.8781,-.7526,.2013;4.7609,-.1932,1.8788;4.5938,-1.9151,1.5072;-.1432,-1.3804,-2.5085;.7086,-2.84,-2.0071;1.6085,-1.4999,-2.7339;.7233,3.5182,-1.5035;2.6713,3.9095,.0106;-.3974,1.5718,-2.9772;-.7592,1.8238,1.021;-3.7059,-2.6097,.1959;-.9994,-.3553,3.7486;-.9473,1.3951,3.427;-2.4811,.6256,3.9068; Gaussian 16 25-Oct-2022 Gaussian 16 3-Jul-2019 EM64L-G16RevC.01 129 C1[X(C18H20F3N3O)] 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 0 331.20730959999975 AuxInfo=1/0/N:8;9;10;11;12;13;14;15;16;17;18;19;20;21;22;23;24;25;1;2;3;5;6;7;4;26;27;28;29;30;31;32;33;34;35;36;37;38;39;40;41;42;43;44;45/rA:45nF0F0F0O0N0N0N0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:3.8596,2.071,1.3865;-2.6191,-2.3659,-1.4777;-4.5234,-1.3158,-1.1012;-2.5371,.5477,-2.5274;-.4457,1.2302,-2.0236;-1.8538,.2642,1.9416;-2.6094,-.7875,1.5676;2.8457,-.7544,.9876;2.2715,-1.8131,.0124;1.0337,-1.1814,-.6638;2.4073,.5315,.3018;1.3486,.3054,-.5909;2.149,-.8375,2.3634;4.3625,-.9055,1.1537;.7807,-1.7498,-2.0633;.716,1.3899,-1.2069;2.8442,1.8287,.5022;1.2078,2.6847,-1.0088;2.2863,2.9119,-.1606;-1.6509,.7107,-1.6728;-1.8783,.3472,-.2598;-2.6444,-.738,.2371;-1.3863,.9585,.887;-3.3908,-1.8106,-.4735;-1.5533,.4948,3.3498;2.0357,-2.7518,.5188;3.0205,-2.0273,-.7577;.1495,-1.3719,-.0456;2.4743,-.0199,3.0128;1.0619,-.7757,2.2605;2.3957,-1.7848,2.8522;4.8781,-.7526,.2013;4.7609,-.1932,1.8788;4.5938,-1.9151,1.5072;-.1432,-1.3804,-2.5085;.7086,-2.84,-2.0071;1.6085,-1.4999,-2.7339;.7233,3.5182,-1.5035;2.6713,3.9095,.0106;-.3974,1.5718,-2.9772;-.7592,1.8238,1.021;-3.7059,-2.6097,.1959;-.9994,-.3553,3.7486;-.9473,1.3951,3.427;-2.4811,.6256,3.9068; oldchk=/home/apulgar/almacen/pesticidas/gaussian_results/C2/fluindapyr/water/CO #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 fluindapyr CONF45 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 19 19 19 16 14 14 14 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 18.9984033 18.9984033 18.9984033 15.9949146 14.0030740 14.0030740 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 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1 1 1 0 2 2 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6.7500000 6.7500000 6.7500000 5.6000000 4.5500000 4.5500000 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 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 (Enter /usr/local/gaussian/gaussian16/g16/l101.exe) 6-311+G(d,p) (5D, 7F) 0.10000e-02 0.10000e-05 F 695 A 670 A 670 1060 695 92 92 2400.4642178754 45 45 45 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 -0.0574923076 PCM SMD-Coulomb. Total charges None On-the-fly selection Water 78.355300 1.777849 0.000000 8.358440 0.000000 9.377347 2.206998 0.000000 7.652298 3.098010 3.074463 0.000000 5.556201 4.237140 4.895003 2.256943 0.000000 6.017889 4.381192 4.345376 4.529855 4.317244 0.000000 7.074739 3.430084 3.326441 4.307839 4.652919 1.347948 0.000000 3.028145 6.208027 7.680059 6.559449 4.882541 4.902334 5.486010 0.000000 4.415423 5.142431 6.903551 5.928532 4.559591 5.005455 5.224359 1.549685 0.000000 4.771478 3.925414 5.575975 4.383376 3.138977 4.149100 4.290295 2.488530 1.545467 0.000000 2.378179 6.068476 7.308618 5.696657 3.746304 4.573472 5.339407 1.521913 2.366315 2.398546 0.000000 3.651413 4.864637 6.113046 4.348302 2.475329 4.082910 4.638890 2.419961 2.388221 1.521443 1.403166 0.000000 3.512800 6.310707 7.533506 6.913674 5.500301 4.172986 4.824765 1.544377 2.548256 3.244331 2.488207 3.267202 0.000000 3.027655 7.602654 9.176780 7.954106 6.146136 6.374262 6.985219 1.533313 2.549189 3.802647 2.571758 3.686952 2.523425 0.000000 5.998300 3.504412 5.408093 4.062258 3.222696 5.199561 5.059850 3.816204 2.556419 1.531612 3.666629 2.591189 4.722283 4.887883 0.000000 4.131834 5.030140 5.897761 3.610514 1.428972 4.217051 4.847386 3.734951 3.763753 2.647176 2.423520 1.398558 4.445441 4.913128 3.255119 0.000000 1.368117 7.166792 8.169547 6.307026 4.190621 5.156609 6.141823 2.628320 3.718946 3.701079 1.383381 2.398417 3.325098 3.194654 4.862712 2.764585 0.000000 3.625815 6.354029 6.989975 4.571365 2.424765 4.892520 5.767607 4.300711 4.733370 3.885362 2.791532 2.419895 4.966273 5.245832 4.578177 1.399141 2.386171 0.000000 2.361328 7.324822 8.070385 5.870008 3.709832 5.345054 6.374982 3.882360 4.728143 4.310083 2.427831 2.803295 4.521866 4.539872 5.255360 2.424267 1.386984 1.390812 0.000000 6.447937 3.231222 3.561565 1.241900 1.358527 3.647498 3.696420 5.426270 4.959356 3.435910 4.516653 3.214339 5.755633 6.838343 3.481297 2.506124 5.117324 3.536935 4.757523 0.000000 6.213349 3.064797 3.235773 2.369875 2.437841 2.203110 2.271913 5.008643 4.686394 3.313576 4.326168 3.244127 4.950178 6.520404 3.836709 2.952036 5.007798 3.943221 4.892004 1.476589 0.000000 7.177340 2.364593 2.378160 3.050825 3.717438 2.129510 1.331857 5.541266 5.037152 3.812747 5.209198 4.209342 5.244803 7.068642 4.248173 4.231513 6.064976 5.301625 6.147559 2.594937 1.418328 0.000000 5.385806 4.261838 4.355114 3.626514 3.070897 1.346346 2.237780 4.566669 4.671864 3.583368 3.862132 3.176563 4.231300 6.049378 4.553581 2.998353 4.336237 3.647383 4.289705 2.585352 1.389590 2.209839 0.000000 8.431769 1.382870 1.386263 3.241786 4.508099 3.535523 2.413169 6.491915 5.683138 4.473094 6.301140 5.191619 6.299538 7.973767 4.464555 5.258027 7.285069 6.453026 7.391182 3.289751 2.643754 1.487433 3.679239 0.000000 5.969796 5.711816 5.649070 5.959307 5.535501 1.458305 2.436392 5.147039 5.576160 5.060743 4.997789 4.897575 4.056486 6.463808 6.307733 5.168614 5.406178 5.605117 5.736571 5.028235 3.627282 3.521280 2.511670 4.827952 0.000000 5.228616 5.079600 6.907145 6.409124 5.336352 5.123303 5.151257 2.205794 1.092310 2.206482 3.311395 3.324086 2.660762 3.037405 3.040734 4.676898 4.651333 5.707410 5.709748 5.512083 5.052680 5.102759 5.060814 5.596186 5.606748 0.000000 4.700801 5.695517 7.585244 6.375750 4.922181 6.024623 6.216176 2.167274 1.095496 2.161453 2.836609 2.874798 3.452028 2.590898 2.607389 4.146106 4.060447 5.054914 5.029002 5.491507 5.466733 5.894408 5.571406 6.421307 6.644770 1.767591 0.000000 5.260125 3.271756 4.791037 4.130657 3.322227 3.261731 3.248970 2.952705 2.168155 1.095529 2.973398 2.132640 3.175966 4.405131 2.147579 3.049086 4.219632 4.301582 4.788487 3.197884 2.667088 2.878883 2.942661 3.592978 4.232396 2.404230 3.029757 0.000000 2.989249 7.184134 8.220304 7.492088 5.954381 4.467731 5.340631 2.186048 3.501248 4.116007 2.767342 3.789436 1.093653 2.793910 5.623859 4.783863 3.139675 5.009266 4.324492 6.285429 5.458080 5.867021 4.514533 7.054125 4.074338 3.724984 4.306377 4.072659 0.000000 4.085862 5.482073 6.541351 6.134248 4.964859 3.111985 3.736195 2.191476 2.755511 2.952379 2.712049 3.062875 1.093663 3.483627 4.441046 4.102717 3.612642 4.762789 4.578094 5.003982 4.032139 4.222876 3.299684 5.326592 3.104883 2.808280 3.809485 2.550696 1.769761 0.000000 4.377024 6.650954 7.982797 7.662573 6.398253 4.804813 5.262772 2.177407 2.842636 3.818574 3.445347 4.161797 1.094188 2.743426 5.174159 5.420075 4.333775 6.024607 5.581045 6.563484 5.700735 5.773922 5.068736 6.674233 4.586849 2.551373 3.671648 3.689671 1.773942 1.774134 0.000000 3.227172 7.850469 9.508017 8.007640 6.101139 7.027095 7.611217 2.179140 2.820357 3.963747 2.786415 3.768849 3.482755 1.093698 4.786613 4.888433 3.300058 5.172123 4.502954 6.948503 6.860858 7.522621 6.529995 8.363561 7.268541 3.489495 2.448466 4.775320 3.770852 4.336304 3.775539 0.000000 2.486159 8.393529 9.815266 8.557145 6.660532 6.630736 7.400776 2.185612 3.507738 4.618744 2.924316 4.241653 2.733490 1.091743 5.814221 5.328128 3.107521 5.407874 4.463605 7.385269 6.996062 7.604655 6.332312 8.637089 6.519672 3.977766 3.652934 5.133937 2.558199 3.763934 3.012440 1.772165 0.000000 4.054911 7.819201 9.501987 8.555383 6.910564 6.819773 7.291219 2.161723 2.763679 4.233906 3.495736 4.456919 2.805580 1.094400 5.226482 5.772994 4.252923 6.241326 5.604081 7.483617 7.080211 7.442526 6.663660 8.227305 6.854897 2.867248 2.760060 4.739019 3.217242 3.786782 2.580203 1.771319 1.769441 0.000000 6.565504 2.857198 4.601178 3.073907 2.672398 5.043185 4.800842 4.642031 3.517552 2.197217 4.249507 2.957106 5.411466 5.825688 1.090055 3.179200 5.318607 4.538694 5.462528 2.710059 3.324423 3.769229 4.306411 3.856547 6.310669 3.973985 3.673268 2.480191 6.259962 4.955903 5.945335 5.740261 6.686390 6.233090 0.000000 6.750013 3.402805 5.524360 4.720433 4.230701 5.638613 5.291574 4.229081 2.752380 2.158988 4.425332 3.508325 5.018507 5.204166 1.093982 4.304967 5.714370 5.636336 6.243607 4.276320 4.461362 4.549506 5.214714 4.496343 6.703261 2.854620 2.750676 2.513028 6.022437 4.753750 5.250956 5.159293 6.206943 5.319818 1.762785 0.000000 5.898868 4.494504 6.348229 4.628309 3.489557 6.079425 6.066409 3.992050 2.842589 2.171951 3.739038 2.814065 5.168505 4.801203 1.094318 3.388134 4.804064 4.543946 5.152188 4.078775 4.657331 5.243557 5.303167 5.495355 7.140565 3.511409 2.485444 3.061351 5.997081 5.076140 5.648553 4.456949 5.737789 5.203101 1.770182 1.770294 0.000000 4.503639 6.767208 7.145502 4.528015 2.621504 5.394286 6.251229 5.381922 5.754776 4.784076 3.874884 3.397958 5.996455 6.314552 5.298010 2.148845 3.372710 1.083537 2.148007 3.680747 4.286077 5.699748 4.088668 6.810521 6.154586 6.717469 6.048605 5.134917 5.998429 5.720112 7.063378 6.197425 6.443274 7.318861 5.075195 6.378131 5.241996 0.000000 2.585628 8.341655 8.961210 6.698525 4.586058 6.123098 7.236799 4.768286 5.736499 5.390075 3.400714 3.885988 5.323753 5.229850 6.316890 3.413716 2.145019 2.163549 1.082901 5.634469 5.784586 7.064498 5.093159 8.348778 6.376323 6.710765 5.996447 5.852763 4.948960 5.440841 6.369919 5.161547 4.968747 6.313618 6.500009 7.312879 6.158160 2.497973 0.000000 6.116671 4.763309 5.374121 2.414369 1.014058 5.293852 5.578000 5.625718 5.245783 3.870366 4.438483 3.216631 6.388319 6.771866 3.640882 2.099218 4.762400 2.773081 4.114830 2.003522 3.328150 4.551476 4.035598 5.164207 6.521298 6.069164 5.437045 4.190233 6.830855 5.922288 7.283586 6.583053 7.300935 7.561796 2.999944 4.650589 3.676629 2.686391 4.879418 0.000000 4.639874 5.220752 5.341366 4.169028 3.117772 2.116068 3.246659 4.432157 4.840410 3.883834 3.494839 3.057260 4.164430 5.805109 4.965378 2.707015 3.640627 2.954748 3.443195 3.048064 2.252371 3.275880 1.077005 4.729431 2.796485 5.385133 5.681682 3.489392 4.221678 3.407410 5.131236 6.252132 5.939340 6.547594 4.806641 5.751088 5.545483 3.382612 4.139954 4.022445 0.000000 8.975687 2.010427 2.006275 4.330381 5.504552 3.838863 2.530621 6.855144 6.033068 5.024273 6.873822 5.887660 6.489855 8.301866 5.096356 6.125183 7.918173 7.323018 8.156081 4.328989 3.505862 2.152092 4.311600 1.089032 4.921215 5.752426 6.818649 4.056468 7.268897 5.509820 6.705704 8.782574 8.964262 8.431342 4.638721 4.939111 6.169169 7.749664 9.121506 6.204774 5.386955 0.000000 5.922494 5.829259 6.071420 6.524473 6.011545 2.092620 2.745120 4.750486 5.175179 4.927941 4.926665 4.978004 3.473264 5.982154 6.236256 5.526748 5.484749 6.061874 6.062353 5.563485 4.163353 3.896539 3.172456 5.065833 1.090176 5.038456 6.265948 4.092599 3.566580 2.576862 3.791286 6.876435 6.058306 6.224173 6.398009 6.497581 7.080523 6.749529 6.755336 7.022252 3.499420 5.002851 0.000000 5.265587 6.402835 6.375149 6.220993 5.476107 2.075341 3.314175 4.995792 5.684389 5.224634 4.665345 4.754146 3.962698 6.217312 6.558919 4.923308 4.808114 5.097405 5.062350 5.193379 3.944288 4.195920 2.614343 5.609016 1.088040 5.878128 6.705846 4.573643 3.725773 3.179664 4.649564 6.996608 6.123960 6.734005 6.601491 7.085711 7.271148 5.622075 5.575601 6.430151 2.451075 5.838481 1.780523 0.000000 6.974576 6.161225 5.746321 6.434924 6.299027 2.094285 2.735859 6.229007 6.610578 6.042220 6.074556 5.915882 5.095111 7.533814 7.205748 6.079019 6.434075 6.481547 6.670716 5.641616 4.219150 3.918205 3.229266 5.094042 1.089963 6.579197 7.685239 5.150842 5.076584 4.150512 5.541253 8.353838 7.564974 7.890923 7.116512 7.560292 8.083352 6.921420 7.246395 7.254346 3.567624 5.073186 1.783986 1.781808 0.000000 C18H20F3N3O 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 0 331.20730959999975 AuxInfo=1/0/N:8;9;10;11;12;13;14;15;16;17;18;19;20;21;22;23;24;25;1;2;3;5;6;7;4;26;27;28;29;30;31;32;33;34;35;36;37;38;39;40;41;42;43;44;45/rA:45nF0F0F0O0N0N0N0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:4.403,.0472,-1.1518;-3.4092,-.1868,1.811;-4.8792,.0361,.18;-2.8797,-2.2041,-.4798;-.6282,-2.2518,-.6294;-1.303,1.9449,-1.385;-2.3489,2.0704,-.544;2.6897,.8131,1.2246;1.6796,.361,2.3095;.5067,-.3285,1.5766;2.4247,-.2215,.1404;1.1709,-.83,.303;2.3179,2.2068,.6726;4.1259,.8235,1.7615;-.1788,-1.3893,2.4431;.6905,-1.7033,-.6781;3.1882,-.5535,-.9644;1.5048,-2.0438,-1.7637;2.7677,-1.4793,-1.9077;-1.8124,-1.5859,-.6249;-1.7978,-.1193,-.7951;-2.6672,.8257,-.1929;-.9326,.6614,-1.5521;-3.7843,.6458,.7726;-.6504,3.1277,-1.9344;1.3485,1.1938,2.9339;2.1659,-.3732,2.9611;-.2367,.4262,1.2974;2.9631,2.4753,-.1687;1.2813,2.2308,.325;2.4373,2.9637,1.4536;4.4371,-.1794,2.0672;4.8322,1.19,1.014;4.1858,1.4794,2.6356;-1.065,-1.8126,1.9702;-.4911,-.9407,3.3907;.5135,-2.2065,2.6678;1.1324,-2.7348,-2.5107;3.4049,-1.7252,-2.748;-.7149,-3.2621,-.6329;-.1058,.3966,-2.1894;-4.1212,1.5903,1.1974;-.2376,3.7268,-1.1225;.1521,2.8005,-2.5923;-1.3729,3.7173,-2.4986; 0.3650036 0.1623334 0.1568125 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= 670 RedAO= T EigKep= 1.24D-06 NBF= 670 NBsUse= 667 1.00D-06 EigRej= 6.45D-07 NBFU= 667 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= 689 689 689 689 689 MxSgAt= 45 MxSgA2= 45. 1 Closed 1 1 1 -1237.39301374739 -1237.39301375 1 1.232492257322e+03 -7.695871859930e+03 2.825566189438e+03 Using DIIS extrapolation, IDIIS= 1040. NGot= 3774873600 LenX= 3773888764 LenY= 3773405044 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. PT1168.900S 2022-10-25T22:38:30.000 -24.69581 -24.69387 -24.69361 -19.10637 -14.41346 -14.35528 -14.35353 -10.34550 -10.29930 -10.26113 -10.22611 -10.22425 -10.22305 -10.20786 -10.19705 -10.18904 -10.18766 -10.18506 -10.18481 -10.18404 -10.17656 -10.15795 -10.15284 -10.15231 -10.15060 -1.25929 -1.22903 -1.20294 -1.07804 -1.05450 -0.94799 -0.88284 -0.87186 -0.83219 -0.81598 -0.78294 -0.75406 -0.74659 -0.74016 -0.70536 -0.68359 -0.68114 -0.65608 -0.63596 -0.63155 -0.60562 -0.59315 -0.58173 -0.57410 -0.55571 -0.54808 -0.54520 -0.53277 -0.51768 -0.50906 -0.50153 -0.49251 -0.48103 -0.47570 -0.46470 -0.45551 -0.45020 -0.44512 -0.43820 -0.43369 -0.43156 -0.42997 -0.42204 -0.41694 -0.41265 -0.41120 -0.40570 -0.40144 -0.40090 -0.38895 -0.38532 -0.37187 -0.36660 -0.36146 -0.35904 -0.34774 -0.33555 -0.33039 -0.32621 -0.32387 -0.30957 -0.29432 -0.28787 -0.28287 -0.26847 -0.25191 -0.24135 -0.04132 -0.02589 -0.01675 -0.01314 0.00545 0.01318 0.01735 0.01925 0.02956 0.03168 0.03497 0.03647 0.04191 0.04346 0.05129 0.05301 0.05497 0.06078 0.06143 0.06330 0.06818 0.07575 0.07833 0.07937 0.08530 0.08641 0.08933 0.09241 0.09833 0.10242 0.10747 0.10932 0.11175 0.11455 0.11958 0.12024 0.12629 0.12930 0.13077 0.13256 0.13511 0.13928 0.14135 0.14623 0.15167 0.15355 0.15719 0.16085 0.16343 0.16658 0.16813 0.16841 0.16985 0.17312 0.17830 0.18061 0.18214 0.18664 0.19043 0.19172 0.19483 0.19540 0.19789 0.20235 0.20539 0.20634 0.21100 0.21322 0.21663 0.21914 0.22049 0.22262 0.22665 0.22917 0.23032 0.23404 0.23626 0.23955 0.24336 0.24492 0.24704 0.24868 0.25064 0.25183 0.25540 0.25918 0.26039 0.26272 0.26349 0.26964 0.27042 0.27291 0.27443 0.27842 0.28130 0.28748 0.28960 0.29068 0.29451 0.29771 0.30193 0.30553 0.30787 0.31001 0.31225 0.31395 0.31861 0.32534 0.32771 0.33191 0.33666 0.33987 0.34346 0.34834 0.35095 0.35166 0.35771 0.36329 0.36479 0.36706 0.36957 0.37119 0.37847 0.37933 0.38457 0.38823 0.39399 0.39923 0.40162 0.40473 0.41109 0.41675 0.42548 0.42920 0.43242 0.44017 0.44340 0.44618 0.45012 0.45738 0.45983 0.46628 0.46924 0.48088 0.48975 0.49256 0.49520 0.50326 0.51884 0.52801 0.53057 0.53571 0.53930 0.54040 0.55289 0.55669 0.56087 0.57011 0.57202 0.57372 0.58225 0.58548 0.58956 0.59288 0.60055 0.60332 0.61708 0.62080 0.62203 0.62348 0.62914 0.64456 0.65187 0.65684 0.65833 0.66532 0.66845 0.67343 0.67925 0.68673 0.69081 0.69365 0.69640 0.70020 0.70135 0.70703 0.71121 0.71673 0.72086 0.73043 0.73278 0.73710 0.74016 0.74538 0.74934 0.75431 0.76040 0.76895 0.77356 0.78087 0.78291 0.79185 0.79205 0.80066 0.80604 0.81012 0.81642 0.82239 0.82594 0.83282 0.84067 0.84600 0.85417 0.85648 0.86265 0.87568 0.88168 0.89235 0.89794 0.90209 0.91085 0.92240 0.92501 0.93276 0.94055 0.94752 0.95767 0.96039 0.97227 0.98443 0.99248 0.99994 1.00446 1.00558 1.00932 1.03944 1.04216 1.04844 1.05580 1.06667 1.07905 1.08561 1.08689 1.09803 1.10653 1.11351 1.11897 1.12591 1.14063 1.15769 1.16951 1.17952 1.19031 1.20243 1.20523 1.21044 1.22682 1.23861 1.24416 1.25472 1.26595 1.27139 1.28388 1.29841 1.31086 1.31817 1.33267 1.34254 1.35707 1.36276 1.38192 1.39624 1.40783 1.41754 1.42792 1.43753 1.44800 1.45153 1.45557 1.46482 1.46903 1.47531 1.48562 1.49253 1.50349 1.50695 1.50783 1.52179 1.52396 1.52897 1.53145 1.53657 1.54114 1.54843 1.55263 1.56044 1.56622 1.57016 1.57294 1.57891 1.58627 1.59026 1.59928 1.60124 1.60839 1.61540 1.62085 1.62524 1.62831 1.63733 1.64825 1.65442 1.66158 1.66503 1.67124 1.67330 1.67506 1.68043 1.69148 1.69765 1.70742 1.71014 1.71397 1.72059 1.73139 1.73841 1.74615 1.75561 1.76318 1.77144 1.78379 1.79145 1.79475 1.80984 1.81621 1.82393 1.83449 1.83634 1.84277 1.85410 1.86031 1.86570 1.88518 1.88822 1.90170 1.90579 1.92102 1.92873 1.93521 1.94231 1.94802 1.95608 1.96720 1.97441 1.98113 1.99247 1.99654 2.00339 2.02433 2.04171 2.04853 2.05636 2.06045 2.07062 2.07819 2.08660 2.09985 2.10126 2.11959 2.12568 2.13855 2.14322 2.15174 2.15748 2.17477 2.18096 2.18721 2.19546 2.20381 2.20803 2.22841 2.22971 2.25484 2.26741 2.27585 2.28025 2.30792 2.32717 2.33391 2.34093 2.37999 2.39690 2.40564 2.41591 2.42138 2.44374 2.45345 2.46338 2.48327 2.48882 2.49360 2.49973 2.50324 2.52151 2.53241 2.53770 2.54447 2.55729 2.55867 2.57022 2.57448 2.57563 2.58963 2.60556 2.60946 2.61918 2.62982 2.64224 2.65332 2.66798 2.67125 2.67776 2.68738 2.69383 2.70612 2.71926 2.72385 2.73453 2.74362 2.74836 2.75290 2.75930 2.76894 2.77376 2.78077 2.79628 2.80506 2.81121 2.82051 2.83565 2.85903 2.86285 2.87382 2.87661 2.89308 2.91266 2.92039 2.92548 2.93281 2.94861 2.95341 2.96900 2.97373 2.98106 2.99723 3.01449 3.01851 3.02673 3.04013 3.05442 3.07520 3.09754 3.10347 3.11895 3.13247 3.15010 3.17307 3.18555 3.20216 3.22914 3.23349 3.25843 3.26261 3.27615 3.31369 3.31986 3.34624 3.36145 3.40449 3.43142 3.45505 3.47278 3.49743 3.51562 3.54798 3.56305 3.61632 3.67268 3.68735 3.71009 3.73149 3.75950 3.77177 3.77811 3.77955 3.78486 3.79299 3.80366 3.81953 3.82657 3.83130 3.83781 3.84323 3.84529 3.85055 3.85794 3.87809 3.89472 3.90629 3.92318 3.92946 3.96916 4.01309 4.02049 4.02651 4.05327 4.08622 4.09867 4.10628 4.13133 4.14717 4.22162 4.26269 4.29955 4.31476 4.33126 4.38847 4.43408 4.46103 4.62693 4.77318 4.81107 4.87199 4.87700 4.89184 4.99421 5.10569 5.13720 5.23607 5.44760 5.79446 6.35727 6.37244 6.38254 6.40545 6.43780 6.49345 6.57363 6.69792 6.75498 23.55999 23.67308 23.80626 23.84656 23.88971 23.89378 23.93286 23.94275 23.94951 23.96717 23.98216 23.99507 24.01631 24.02388 24.07157 24.09805 24.12685 24.18028 35.53403 35.58662 35.65866 50.03135 66.76994 66.82348 66.82854 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 F F F O N N N C C C C C C C C C C C C C C C C C C H H H H H H H H H H H H H H H H H H H H -0.191115 -0.138490 -0.148973 -0.470205 -0.307359 0.209595 -0.204153 0.673312 -0.880819 0.285938 0.298349 0.338454 -0.598207 -0.525374 -0.848568 -0.075709 -0.617706 -0.135863 0.088451 -0.113437 0.762354 -0.409834 -0.330556 -0.153924 -0.320071 0.176401 0.160096 0.223524 0.162191 0.159352 0.158798 0.158811 0.158763 0.159929 0.171580 0.160887 0.163386 0.172898 0.173202 0.384420 0.221028 0.240891 0.209704 0.194645 0.203404 -0.00000 8.2934 4.6223 -2.9233 9.9344 -192.9107 -137.0891 -133.8051 -16.2910 -0.7224 0.1757 -38.3091 17.5125 20.7965 -16.2910 -0.7224 0.1757 53.3791 13.9377 -29.0266 24.7286 58.5324 24.0602 4.3038 11.9067 -30.7936 8.0934 -6663.8612 -2011.8111 -1798.1818 -234.5176 -104.1598 -25.2799 -41.8585 -89.9030 -1.3179 -1435.5384 -1261.4253 -573.6517 47.4039 -46.8498 -49.0429 (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A) (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A) GINC-BELVIS18 APULGAR 2022-10-25T00:00:00.000 0 Wavefunction fluindapyr CONF45 water 0 1 Version=EM64L-G16RevC.01 State=1-A HF=-1237.3930137 RMSD=3.308e-09 Dipole=2.5083624,1.1628787,2.7626288 Quadrupole=-21.2348148,15.0557858,6.179029,-5.0377193,-19.0739544,-3.1345515 PG=C01 [X(C18H20F3N3O1)] 0 3.859603581 2.0709571928 1.386548423 0 -2.6191294543 -2.3658598581 -1.4777486018 0 -4.523447246 -1.3157874005 -1.101234074 0 -2.5371208851 0.5477405703 -2.5274502758 0 -0.4456538429 1.2301648063 -2.0236125771 0 -1.8537662584 0.2642088403 1.9415791309 0 -2.6094328051 -0.7874897072 1.5675969335 0 2.8457334231 -0.7543893836 0.9876193394 0 2.2715090697 -1.8130822706 0.0124475771 0 1.0337145409 -1.1813608915 -0.6637639338 0 2.4072599178 0.5315466356 0.3018144897 0 1.3485857253 0.3053588827 -0.5908906715 0 2.1489881763 -0.8375383168 2.3633855944 0 4.3625134794 -0.9055435963 1.1536925966 0 0.7806591338 -1.7498273686 -2.0632794828 0 0.7159650976 1.3899453821 -1.2068680364 0 2.8442254785 1.8287160859 0.5022006068 0 1.207785671 2.6847335749 -1.0087958173 0 2.2863378306 2.9118709104 -0.1605676904 0 -1.6509356992 0.7107216415 -1.6727987636 0 -1.878333458 0.3472335095 -0.2598291304 0 -2.6444498562 -0.7380140889 0.2371204228 0 -1.3863293526 0.9585002211 0.8870125487 0 -3.3908137082 -1.8105848414 -0.4735068374 0 -1.5533008702 0.494763194 3.3498473664 0 2.0356772429 -2.7517727048 0.5187929951 0 3.0205387883 -2.0272783974 -0.757738344 0 0.1495168932 -1.3718648159 -0.0456329246 0 2.4743192016 -0.0199372865 3.0128201997 0 1.0619336397 -0.7757179773 2.2604790251 0 2.3957411907 -1.7848473059 2.8522273305 0 4.8780719503 -0.7526263941 0.2013321632 0 4.7608766733 -0.1931959144 1.8787923705 0 4.5938112465 -1.9151032492 1.5072479278 0 -0.1432256166 -1.3804215983 -2.5084721196 0 0.7086457611 -2.8399887733 -2.0070857634 0 1.6084726634 -1.4998581058 -2.7339292036 0 0.7233490156 3.5182107699 -1.5034570875 0 2.6712544509 3.9094712578 0.0106257588 0 -0.3974231263 1.571755828 -2.9771868572 0 -0.759241644 1.8237997989 1.0210154383 0 -3.7059233536 -2.6096651391 0.1959458904 0 -0.9993894055 -0.355341699 3.7485809444 0 -0.9472988496 1.3951204835 3.4269737046 0 -2.4810699112 0.6255804085 3.9067589475 Gaussian 16 25-Oct-2022 Gaussian 16 3-Jul-2019 EM64L-G16RevC.01 129 C1[X(C18H20F3N3O)] 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 0 331.20730959999975 AuxInfo=1/0/N:8;9;10;11;12;13;14;15;16;17;18;19;20;21;22;23;24;25;1;2;3;5;6;7;4;26;27;28;29;30;31;32;33;34;35;36;37;38;39;40;41;42;43;44;45/rA:45nF0F0F0O0N0N0N0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:3.8596,2.071,1.3865;-2.6191,-2.3659,-1.4777;-4.5234,-1.3158,-1.1012;-2.5371,.5477,-2.5274;-.4457,1.2302,-2.0236;-1.8538,.2642,1.9416;-2.6094,-.7875,1.5676;2.8457,-.7544,.9876;2.2715,-1.8131,.0124;1.0337,-1.1814,-.6638;2.4073,.5315,.3018;1.3486,.3054,-.5909;2.149,-.8375,2.3634;4.3625,-.9055,1.1537;.7807,-1.7498,-2.0633;.716,1.3899,-1.2069;2.8442,1.8287,.5022;1.2078,2.6847,-1.0088;2.2863,2.9119,-.1606;-1.6509,.7107,-1.6728;-1.8783,.3472,-.2598;-2.6444,-.738,.2371;-1.3863,.9585,.887;-3.3908,-1.8106,-.4735;-1.5533,.4948,3.3498;2.0357,-2.7518,.5188;3.0205,-2.0273,-.7577;.1495,-1.3719,-.0456;2.4743,-.0199,3.0128;1.0619,-.7757,2.2605;2.3957,-1.7848,2.8522;4.8781,-.7526,.2013;4.7609,-.1932,1.8788;4.5938,-1.9151,1.5072;-.1432,-1.3804,-2.5085;.7086,-2.84,-2.0071;1.6085,-1.4999,-2.7339;.7233,3.5182,-1.5035;2.6713,3.9095,.0106;-.3974,1.5718,-2.9772;-.7592,1.8238,1.021;-3.7059,-2.6097,.1959;-.9994,-.3553,3.7486;-.9473,1.3951,3.427;-2.4811,.6256,3.9068; oldchk=/home/apulgar/almacen/pesticidas/gaussian_results/C2/fluindapyr/water/CO #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 fluindapyr CONF45 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 19 19 19 16 14 14 14 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 18.9984033 18.9984033 18.9984033 15.9949146 14.0030740 14.0030740 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 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1 1 1 0 2 2 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6.7500000 6.7500000 6.7500000 5.6000000 4.5500000 4.5500000 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 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 (Enter /usr/local/gaussian/gaussian16/g16/l101.exe) 6-311+G(d,p) (5D, 7F) 0.10000e-02 0.10000e-05 F 695 A 670 A 670 1060 695 92 92 2400.4642178754 45 45 45 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 -0.0574923076 PCM SMD-Coulomb. Total charges None On-the-fly selection Water 78.355300 1.777849 0.000000 8.358440 0.000000 9.377347 2.206998 0.000000 7.652298 3.098010 3.074463 0.000000 5.556201 4.237140 4.895003 2.256943 0.000000 6.017889 4.381192 4.345376 4.529855 4.317244 0.000000 7.074739 3.430084 3.326441 4.307839 4.652919 1.347948 0.000000 3.028145 6.208027 7.680059 6.559449 4.882541 4.902334 5.486010 0.000000 4.415423 5.142431 6.903551 5.928532 4.559591 5.005455 5.224359 1.549685 0.000000 4.771478 3.925414 5.575975 4.383376 3.138977 4.149100 4.290295 2.488530 1.545467 0.000000 2.378179 6.068476 7.308618 5.696657 3.746304 4.573472 5.339407 1.521913 2.366315 2.398546 0.000000 3.651413 4.864637 6.113046 4.348302 2.475329 4.082910 4.638890 2.419961 2.388221 1.521443 1.403166 0.000000 3.512800 6.310707 7.533506 6.913674 5.500301 4.172986 4.824765 1.544377 2.548256 3.244331 2.488207 3.267202 0.000000 3.027655 7.602654 9.176780 7.954106 6.146136 6.374262 6.985219 1.533313 2.549189 3.802647 2.571758 3.686952 2.523425 0.000000 5.998300 3.504412 5.408093 4.062258 3.222696 5.199561 5.059850 3.816204 2.556419 1.531612 3.666629 2.591189 4.722283 4.887883 0.000000 4.131834 5.030140 5.897761 3.610514 1.428972 4.217051 4.847386 3.734951 3.763753 2.647176 2.423520 1.398558 4.445441 4.913128 3.255119 0.000000 1.368117 7.166792 8.169547 6.307026 4.190621 5.156609 6.141823 2.628320 3.718946 3.701079 1.383381 2.398417 3.325098 3.194654 4.862712 2.764585 0.000000 3.625815 6.354029 6.989975 4.571365 2.424765 4.892520 5.767607 4.300711 4.733370 3.885362 2.791532 2.419895 4.966273 5.245832 4.578177 1.399141 2.386171 0.000000 2.361328 7.324822 8.070385 5.870008 3.709832 5.345054 6.374982 3.882360 4.728143 4.310083 2.427831 2.803295 4.521866 4.539872 5.255360 2.424267 1.386984 1.390812 0.000000 6.447937 3.231222 3.561565 1.241900 1.358527 3.647498 3.696420 5.426270 4.959356 3.435910 4.516653 3.214339 5.755633 6.838343 3.481297 2.506124 5.117324 3.536935 4.757523 0.000000 6.213349 3.064797 3.235773 2.369875 2.437841 2.203110 2.271913 5.008643 4.686394 3.313576 4.326168 3.244127 4.950178 6.520404 3.836709 2.952036 5.007798 3.943221 4.892004 1.476589 0.000000 7.177340 2.364593 2.378160 3.050825 3.717438 2.129510 1.331857 5.541266 5.037152 3.812747 5.209198 4.209342 5.244803 7.068642 4.248173 4.231513 6.064976 5.301625 6.147559 2.594937 1.418328 0.000000 5.385806 4.261838 4.355114 3.626514 3.070897 1.346346 2.237780 4.566669 4.671864 3.583368 3.862132 3.176563 4.231300 6.049378 4.553581 2.998353 4.336237 3.647383 4.289705 2.585352 1.389590 2.209839 0.000000 8.431769 1.382870 1.386263 3.241786 4.508099 3.535523 2.413169 6.491915 5.683138 4.473094 6.301140 5.191619 6.299538 7.973767 4.464555 5.258027 7.285069 6.453026 7.391182 3.289751 2.643754 1.487433 3.679239 0.000000 5.969796 5.711816 5.649070 5.959307 5.535501 1.458305 2.436392 5.147039 5.576160 5.060743 4.997789 4.897575 4.056486 6.463808 6.307733 5.168614 5.406178 5.605117 5.736571 5.028235 3.627282 3.521280 2.511670 4.827952 0.000000 5.228616 5.079600 6.907145 6.409124 5.336352 5.123303 5.151257 2.205794 1.092310 2.206482 3.311395 3.324086 2.660762 3.037405 3.040734 4.676898 4.651333 5.707410 5.709748 5.512083 5.052680 5.102759 5.060814 5.596186 5.606748 0.000000 4.700801 5.695517 7.585244 6.375750 4.922181 6.024623 6.216176 2.167274 1.095496 2.161453 2.836609 2.874798 3.452028 2.590898 2.607389 4.146106 4.060447 5.054914 5.029002 5.491507 5.466733 5.894408 5.571406 6.421307 6.644770 1.767591 0.000000 5.260125 3.271756 4.791037 4.130657 3.322227 3.261731 3.248970 2.952705 2.168155 1.095529 2.973398 2.132640 3.175966 4.405131 2.147579 3.049086 4.219632 4.301582 4.788487 3.197884 2.667088 2.878883 2.942661 3.592978 4.232396 2.404230 3.029757 0.000000 2.989249 7.184134 8.220304 7.492088 5.954381 4.467731 5.340631 2.186048 3.501248 4.116007 2.767342 3.789436 1.093653 2.793910 5.623859 4.783863 3.139675 5.009266 4.324492 6.285429 5.458080 5.867021 4.514533 7.054125 4.074338 3.724984 4.306377 4.072659 0.000000 4.085862 5.482073 6.541351 6.134248 4.964859 3.111985 3.736195 2.191476 2.755511 2.952379 2.712049 3.062875 1.093663 3.483627 4.441046 4.102717 3.612642 4.762789 4.578094 5.003982 4.032139 4.222876 3.299684 5.326592 3.104883 2.808280 3.809485 2.550696 1.769761 0.000000 4.377024 6.650954 7.982797 7.662573 6.398253 4.804813 5.262772 2.177407 2.842636 3.818574 3.445347 4.161797 1.094188 2.743426 5.174159 5.420075 4.333775 6.024607 5.581045 6.563484 5.700735 5.773922 5.068736 6.674233 4.586849 2.551373 3.671648 3.689671 1.773942 1.774134 0.000000 3.227172 7.850469 9.508017 8.007640 6.101139 7.027095 7.611217 2.179140 2.820357 3.963747 2.786415 3.768849 3.482755 1.093698 4.786613 4.888433 3.300058 5.172123 4.502954 6.948503 6.860858 7.522621 6.529995 8.363561 7.268541 3.489495 2.448466 4.775320 3.770852 4.336304 3.775539 0.000000 2.486159 8.393529 9.815266 8.557145 6.660532 6.630736 7.400776 2.185612 3.507738 4.618744 2.924316 4.241653 2.733490 1.091743 5.814221 5.328128 3.107521 5.407874 4.463605 7.385269 6.996062 7.604655 6.332312 8.637089 6.519672 3.977766 3.652934 5.133937 2.558199 3.763934 3.012440 1.772165 0.000000 4.054911 7.819201 9.501987 8.555383 6.910564 6.819773 7.291219 2.161723 2.763679 4.233906 3.495736 4.456919 2.805580 1.094400 5.226482 5.772994 4.252923 6.241326 5.604081 7.483617 7.080211 7.442526 6.663660 8.227305 6.854897 2.867248 2.760060 4.739019 3.217242 3.786782 2.580203 1.771319 1.769441 0.000000 6.565504 2.857198 4.601178 3.073907 2.672398 5.043185 4.800842 4.642031 3.517552 2.197217 4.249507 2.957106 5.411466 5.825688 1.090055 3.179200 5.318607 4.538694 5.462528 2.710059 3.324423 3.769229 4.306411 3.856547 6.310669 3.973985 3.673268 2.480191 6.259962 4.955903 5.945335 5.740261 6.686390 6.233090 0.000000 6.750013 3.402805 5.524360 4.720433 4.230701 5.638613 5.291574 4.229081 2.752380 2.158988 4.425332 3.508325 5.018507 5.204166 1.093982 4.304967 5.714370 5.636336 6.243607 4.276320 4.461362 4.549506 5.214714 4.496343 6.703261 2.854620 2.750676 2.513028 6.022437 4.753750 5.250956 5.159293 6.206943 5.319818 1.762785 0.000000 5.898868 4.494504 6.348229 4.628309 3.489557 6.079425 6.066409 3.992050 2.842589 2.171951 3.739038 2.814065 5.168505 4.801203 1.094318 3.388134 4.804064 4.543946 5.152188 4.078775 4.657331 5.243557 5.303167 5.495355 7.140565 3.511409 2.485444 3.061351 5.997081 5.076140 5.648553 4.456949 5.737789 5.203101 1.770182 1.770294 0.000000 4.503639 6.767208 7.145502 4.528015 2.621504 5.394286 6.251229 5.381922 5.754776 4.784076 3.874884 3.397958 5.996455 6.314552 5.298010 2.148845 3.372710 1.083537 2.148007 3.680747 4.286077 5.699748 4.088668 6.810521 6.154586 6.717469 6.048605 5.134917 5.998429 5.720112 7.063378 6.197425 6.443274 7.318861 5.075195 6.378131 5.241996 0.000000 2.585628 8.341655 8.961210 6.698525 4.586058 6.123098 7.236799 4.768286 5.736499 5.390075 3.400714 3.885988 5.323753 5.229850 6.316890 3.413716 2.145019 2.163549 1.082901 5.634469 5.784586 7.064498 5.093159 8.348778 6.376323 6.710765 5.996447 5.852763 4.948960 5.440841 6.369919 5.161547 4.968747 6.313618 6.500009 7.312879 6.158160 2.497973 0.000000 6.116671 4.763309 5.374121 2.414369 1.014058 5.293852 5.578000 5.625718 5.245783 3.870366 4.438483 3.216631 6.388319 6.771866 3.640882 2.099218 4.762400 2.773081 4.114830 2.003522 3.328150 4.551476 4.035598 5.164207 6.521298 6.069164 5.437045 4.190233 6.830855 5.922288 7.283586 6.583053 7.300935 7.561796 2.999944 4.650589 3.676629 2.686391 4.879418 0.000000 4.639874 5.220752 5.341366 4.169028 3.117772 2.116068 3.246659 4.432157 4.840410 3.883834 3.494839 3.057260 4.164430 5.805109 4.965378 2.707015 3.640627 2.954748 3.443195 3.048064 2.252371 3.275880 1.077005 4.729431 2.796485 5.385133 5.681682 3.489392 4.221678 3.407410 5.131236 6.252132 5.939340 6.547594 4.806641 5.751088 5.545483 3.382612 4.139954 4.022445 0.000000 8.975687 2.010427 2.006275 4.330381 5.504552 3.838863 2.530621 6.855144 6.033068 5.024273 6.873822 5.887660 6.489855 8.301866 5.096356 6.125183 7.918173 7.323018 8.156081 4.328989 3.505862 2.152092 4.311600 1.089032 4.921215 5.752426 6.818649 4.056468 7.268897 5.509820 6.705704 8.782574 8.964262 8.431342 4.638721 4.939111 6.169169 7.749664 9.121506 6.204774 5.386955 0.000000 5.922494 5.829259 6.071420 6.524473 6.011545 2.092620 2.745120 4.750486 5.175179 4.927941 4.926665 4.978004 3.473264 5.982154 6.236256 5.526748 5.484749 6.061874 6.062353 5.563485 4.163353 3.896539 3.172456 5.065833 1.090176 5.038456 6.265948 4.092599 3.566580 2.576862 3.791286 6.876435 6.058306 6.224173 6.398009 6.497581 7.080523 6.749529 6.755336 7.022252 3.499420 5.002851 0.000000 5.265587 6.402835 6.375149 6.220993 5.476107 2.075341 3.314175 4.995792 5.684389 5.224634 4.665345 4.754146 3.962698 6.217312 6.558919 4.923308 4.808114 5.097405 5.062350 5.193379 3.944288 4.195920 2.614343 5.609016 1.088040 5.878128 6.705846 4.573643 3.725773 3.179664 4.649564 6.996608 6.123960 6.734005 6.601491 7.085711 7.271148 5.622075 5.575601 6.430151 2.451075 5.838481 1.780523 0.000000 6.974576 6.161225 5.746321 6.434924 6.299027 2.094285 2.735859 6.229007 6.610578 6.042220 6.074556 5.915882 5.095111 7.533814 7.205748 6.079019 6.434075 6.481547 6.670716 5.641616 4.219150 3.918205 3.229266 5.094042 1.089963 6.579197 7.685239 5.150842 5.076584 4.150512 5.541253 8.353838 7.564974 7.890923 7.116512 7.560292 8.083352 6.921420 7.246395 7.254346 3.567624 5.073186 1.783986 1.781808 0.000000 C18H20F3N3O 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 0 331.20730959999975 AuxInfo=1/0/N:8;9;10;11;12;13;14;15;16;17;18;19;20;21;22;23;24;25;1;2;3;5;6;7;4;26;27;28;29;30;31;32;33;34;35;36;37;38;39;40;41;42;43;44;45/rA:45nF0F0F0O0N0N0N0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:4.403,.0472,-1.1518;-3.4092,-.1868,1.811;-4.8792,.0361,.18;-2.8797,-2.2041,-.4798;-.6282,-2.2518,-.6294;-1.303,1.9449,-1.385;-2.3489,2.0704,-.544;2.6897,.8131,1.2246;1.6796,.361,2.3095;.5067,-.3285,1.5766;2.4247,-.2215,.1404;1.1709,-.83,.303;2.3179,2.2068,.6726;4.1259,.8235,1.7615;-.1788,-1.3893,2.4431;.6905,-1.7033,-.6781;3.1882,-.5535,-.9644;1.5048,-2.0438,-1.7637;2.7677,-1.4793,-1.9077;-1.8124,-1.5859,-.6249;-1.7978,-.1193,-.7951;-2.6672,.8257,-.1929;-.9326,.6614,-1.5521;-3.7843,.6458,.7726;-.6504,3.1277,-1.9344;1.3485,1.1938,2.9339;2.1659,-.3732,2.9611;-.2367,.4262,1.2974;2.9631,2.4753,-.1687;1.2813,2.2308,.325;2.4373,2.9637,1.4536;4.4371,-.1794,2.0672;4.8322,1.19,1.014;4.1858,1.4794,2.6356;-1.065,-1.8126,1.9702;-.4911,-.9407,3.3907;.5135,-2.2065,2.6678;1.1324,-2.7348,-2.5107;3.4049,-1.7252,-2.748;-.7149,-3.2621,-.6329;-.1058,.3966,-2.1894;-4.1212,1.5903,1.1974;-.2376,3.7268,-1.1225;.1521,2.8005,-2.5923;-1.3729,3.7173,-2.4986; 0.3650036 0.1623334 0.1568125 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= 670 RedAO= T EigKep= 1.24D-06 NBF= 670 NBsUse= 667 1.00D-06 EigRej= 6.45D-07 NBFU= 667 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= 689 689 689 689 689 MxSgAt= 45 MxSgA2= 45. 1 Closed 1 1 1 -1237.39301374739 -1237.39301375 1 1.232492257322e+03 -7.695871859930e+03 2.825566189438e+03 Using DIIS extrapolation, IDIIS= 1040. NGot= 3774873600 LenX= 3773888764 LenY= 3773405044 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 4.6866 264.55 0.1097 0.000 90 93 0.11713 91 93 0.10671 92 93 0.67175 -1237.22078256 2 Singlet-A 4.8989 253.09 0.0011 0.000 91 93 0.47383 91 95 -0.16205 91 96 0.10241 92 94 0.45202 92 96 0.13116 3 Singlet-A 5.1885 238.96 0.0474 0.000 90 93 0.12102 91 93 0.48504 91 95 0.25823 92 93 -0.12145 92 94 -0.37784 4 Singlet-A 5.2025 238.32 0.0271 0.000 87 93 0.25997 88 93 0.36411 89 93 0.12147 90 93 0.45484 91 93 -0.10357 92 93 -0.13015 92 94 0.12687 5 Singlet-A 5.4332 228.20 0.0270 0.000 88 93 0.11460 90 93 -0.11475 91 94 0.22293 91 95 -0.11297 92 94 -0.13027 92 95 0.59243 92 96 0.13230 6 Singlet-A 5.4863 225.99 0.0091 0.000 88 93 -0.21654 90 93 0.15839 91 94 -0.25687 91 95 -0.14832 92 94 -0.20445 92 96 0.52138 7 Singlet-A 5.6295 220.24 0.1287 0.000 87 93 -0.10911 88 93 -0.35735 89 93 -0.10623 90 93 0.37591 91 94 0.42340 8 Singlet-A 5.7277 216.46 0.1193 0.000 87 93 0.18752 90 93 -0.20748 90 94 -0.11780 91 94 0.34827 91 95 -0.26763 91 96 -0.26670 92 94 -0.10264 92 95 -0.25099 92 96 0.16441 9 Singlet-A 5.7830 214.39 0.0187 0.000 88 93 -0.16503 89 93 0.51939 90 94 -0.34371 90 95 0.13784 90 96 0.12936 91 95 0.11257 92 96 -0.12033 10 Singlet-A 5.9207 209.41 0.2324 0.000 87 93 0.19112 87 94 0.12175 88 94 -0.13590 90 94 0.18300 91 94 0.13625 91 95 0.43809 92 94 0.16853 92 96 0.29886 PT53347.600S 2022-10-25T23:34:13.000 -24.69581 -24.69387 -24.69361 -19.10637 -14.41346 -14.35528 -14.35353 -10.34550 -10.29930 -10.26113 -10.22611 -10.22425 -10.22305 -10.20786 -10.19705 -10.18904 -10.18766 -10.18506 -10.18481 -10.18404 -10.17656 -10.15795 -10.15284 -10.15231 -10.15060 -1.25929 -1.22903 -1.20294 -1.07804 -1.05450 -0.94799 -0.88284 -0.87186 -0.83219 -0.81598 -0.78294 -0.75406 -0.74659 -0.74016 -0.70536 -0.68359 -0.68114 -0.65608 -0.63596 -0.63155 -0.60562 -0.59315 -0.58173 -0.57410 -0.55571 -0.54808 -0.54520 -0.53277 -0.51768 -0.50906 -0.50153 -0.49251 -0.48103 -0.47570 -0.46470 -0.45551 -0.45020 -0.44512 -0.43820 -0.43369 -0.43156 -0.42997 -0.42204 -0.41694 -0.41265 -0.41120 -0.40570 -0.40144 -0.40090 -0.38895 -0.38532 -0.37187 -0.36660 -0.36146 -0.35904 -0.34774 -0.33555 -0.33039 -0.32621 -0.32387 -0.30957 -0.29432 -0.28787 -0.28287 -0.26847 -0.25191 -0.24135 -0.04132 -0.02589 -0.01675 -0.01314 0.00545 0.01318 0.01735 0.01925 0.02956 0.03168 0.03497 0.03647 0.04191 0.04346 0.05129 0.05301 0.05497 0.06078 0.06143 0.06330 0.06818 0.07575 0.07833 0.07937 0.08530 0.08641 0.08933 0.09241 0.09833 0.10242 0.10747 0.10932 0.11175 0.11455 0.11958 0.12024 0.12629 0.12930 0.13077 0.13256 0.13511 0.13928 0.14135 0.14623 0.15167 0.15355 0.15719 0.16085 0.16343 0.16658 0.16813 0.16841 0.16985 0.17312 0.17830 0.18061 0.18214 0.18664 0.19043 0.19172 0.19483 0.19540 0.19789 0.20235 0.20539 0.20634 0.21100 0.21322 0.21663 0.21914 0.22049 0.22262 0.22665 0.22917 0.23032 0.23404 0.23626 0.23955 0.24336 0.24492 0.24704 0.24868 0.25064 0.25183 0.25540 0.25918 0.26039 0.26272 0.26349 0.26964 0.27042 0.27291 0.27443 0.27842 0.28130 0.28748 0.28960 0.29068 0.29451 0.29771 0.30193 0.30553 0.30787 0.31001 0.31225 0.31395 0.31861 0.32534 0.32771 0.33191 0.33666 0.33987 0.34346 0.34834 0.35095 0.35166 0.35771 0.36329 0.36479 0.36706 0.36957 0.37119 0.37847 0.37933 0.38457 0.38823 0.39399 0.39923 0.40162 0.40473 0.41109 0.41675 0.42548 0.42920 0.43242 0.44017 0.44340 0.44618 0.45012 0.45738 0.45983 0.46628 0.46924 0.48088 0.48975 0.49256 0.49520 0.50326 0.51884 0.52801 0.53057 0.53571 0.53930 0.54040 0.55289 0.55669 0.56087 0.57011 0.57202 0.57372 0.58225 0.58548 0.58956 0.59288 0.60055 0.60332 0.61708 0.62080 0.62203 0.62348 0.62914 0.64456 0.65187 0.65684 0.65833 0.66532 0.66845 0.67343 0.67925 0.68673 0.69081 0.69365 0.69640 0.70020 0.70135 0.70703 0.71121 0.71673 0.72086 0.73043 0.73278 0.73710 0.74016 0.74538 0.74934 0.75431 0.76040 0.76895 0.77356 0.78087 0.78291 0.79185 0.79205 0.80066 0.80604 0.81012 0.81642 0.82239 0.82594 0.83282 0.84067 0.84600 0.85417 0.85648 0.86265 0.87568 0.88168 0.89235 0.89794 0.90209 0.91085 0.92240 0.92501 0.93276 0.94055 0.94752 0.95767 0.96039 0.97227 0.98443 0.99248 0.99994 1.00446 1.00558 1.00932 1.03944 1.04216 1.04844 1.05580 1.06667 1.07905 1.08561 1.08689 1.09803 1.10653 1.11351 1.11897 1.12591 1.14063 1.15769 1.16951 1.17952 1.19031 1.20243 1.20523 1.21044 1.22682 1.23861 1.24416 1.25472 1.26595 1.27139 1.28388 1.29841 1.31086 1.31817 1.33267 1.34254 1.35707 1.36276 1.38192 1.39624 1.40783 1.41754 1.42792 1.43753 1.44800 1.45153 1.45557 1.46482 1.46903 1.47531 1.48562 1.49253 1.50349 1.50695 1.50783 1.52179 1.52396 1.52897 1.53145 1.53657 1.54114 1.54843 1.55263 1.56044 1.56622 1.57016 1.57294 1.57891 1.58627 1.59026 1.59928 1.60124 1.60839 1.61540 1.62085 1.62524 1.62831 1.63733 1.64825 1.65442 1.66158 1.66503 1.67124 1.67330 1.67506 1.68043 1.69148 1.69765 1.70742 1.71014 1.71397 1.72059 1.73139 1.73841 1.74615 1.75561 1.76318 1.77144 1.78379 1.79145 1.79475 1.80984 1.81621 1.82393 1.83449 1.83634 1.84277 1.85410 1.86031 1.86570 1.88518 1.88822 1.90170 1.90579 1.92102 1.92873 1.93521 1.94231 1.94802 1.95608 1.96720 1.97441 1.98113 1.99247 1.99654 2.00339 2.02433 2.04171 2.04853 2.05636 2.06045 2.07062 2.07819 2.08660 2.09985 2.10126 2.11959 2.12568 2.13855 2.14322 2.15174 2.15748 2.17477 2.18096 2.18721 2.19546 2.20381 2.20803 2.22841 2.22971 2.25484 2.26741 2.27585 2.28025 2.30792 2.32717 2.33391 2.34093 2.37999 2.39690 2.40564 2.41591 2.42138 2.44374 2.45345 2.46338 2.48327 2.48882 2.49360 2.49973 2.50324 2.52151 2.53241 2.53770 2.54447 2.55729 2.55867 2.57022 2.57448 2.57563 2.58963 2.60556 2.60946 2.61918 2.62982 2.64224 2.65332 2.66798 2.67125 2.67776 2.68738 2.69383 2.70612 2.71926 2.72385 2.73453 2.74362 2.74836 2.75290 2.75930 2.76894 2.77376 2.78077 2.79628 2.80506 2.81121 2.82051 2.83565 2.85903 2.86285 2.87382 2.87661 2.89308 2.91266 2.92039 2.92548 2.93281 2.94861 2.95341 2.96900 2.97373 2.98106 2.99723 3.01449 3.01851 3.02673 3.04013 3.05442 3.07520 3.09754 3.10347 3.11895 3.13247 3.15010 3.17307 3.18555 3.20216 3.22914 3.23349 3.25843 3.26261 3.27615 3.31369 3.31986 3.34624 3.36145 3.40449 3.43142 3.45505 3.47278 3.49743 3.51562 3.54798 3.56305 3.61632 3.67268 3.68735 3.71009 3.73149 3.75950 3.77177 3.77811 3.77955 3.78486 3.79299 3.80366 3.81953 3.82657 3.83130 3.83781 3.84323 3.84529 3.85055 3.85794 3.87809 3.89472 3.90629 3.92318 3.92946 3.96916 4.01309 4.02049 4.02651 4.05327 4.08622 4.09867 4.10628 4.13133 4.14717 4.22162 4.26269 4.29955 4.31476 4.33126 4.38847 4.43408 4.46103 4.62693 4.77318 4.81107 4.87199 4.87700 4.89184 4.99421 5.10569 5.13720 5.23607 5.44760 5.79446 6.35727 6.37244 6.38254 6.40545 6.43780 6.49345 6.57363 6.69792 6.75498 23.55999 23.67308 23.80626 23.84656 23.88971 23.89378 23.93286 23.94275 23.94951 23.96717 23.98216 23.99507 24.01631 24.02388 24.07157 24.09805 24.12685 24.18028 35.53403 35.58662 35.65866 50.03135 66.76994 66.82348 66.82854 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 F F F O N N N C C C C C C C C C C C C C C C C C C H H H H H H H H H H H H H H H H H H H H -0.191115 -0.138490 -0.148973 -0.470205 -0.307359 0.209595 -0.204153 0.673312 -0.880819 0.285938 0.298349 0.338454 -0.598207 -0.525374 -0.848568 -0.075709 -0.617706 -0.135863 0.088451 -0.113437 0.762354 -0.409834 -0.330556 -0.153924 -0.320071 0.176401 0.160096 0.223524 0.162191 0.159352 0.158798 0.158811 0.158763 0.159929 0.171580 0.160887 0.163386 0.172898 0.173202 0.384420 0.221028 0.240891 0.209704 0.194645 0.203404 0.00000 8.2934 4.6223 -2.9233 9.9344 -192.9107 -137.0891 -133.8051 -16.2910 -0.7224 0.1757 -38.3091 17.5125 20.7965 -16.2910 -0.7224 0.1757 53.3791 13.9377 -29.0266 24.7286 58.5324 24.0602 4.3038 11.9067 -30.7936 8.0934 -6663.8612 -2011.8111 -1798.1818 -234.5176 -104.1598 -25.2799 -41.8585 -89.9030 -1.3179 -1435.5384 -1261.4253 -573.6517 47.4039 -46.8498 -49.0429 (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A) (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A) GINC-BELVIS18 APULGAR 2022-10-25T00:00:00.000 0 Electronic spectrum fluindapyr CONF45 water 0 1 Version=EM64L-G16RevC.01 State=1-A HF=-1237.3930137 RMSD=2.053e-09 PG=C01 [X(C18H20F3N3O1)] 0 3.859603581 2.0709571928 1.386548423 0 -2.6191294543 -2.3658598581 -1.4777486018 0 -4.523447246 -1.3157874005 -1.101234074 0 -2.5371208851 0.5477405703 -2.5274502758 0 -0.4456538429 1.2301648063 -2.0236125771 0 -1.8537662584 0.2642088403 1.9415791309 0 -2.6094328051 -0.7874897072 1.5675969335 0 2.8457334231 -0.7543893836 0.9876193394 0 2.2715090697 -1.8130822706 0.0124475771 0 1.0337145409 -1.1813608915 -0.6637639338 0 2.4072599178 0.5315466356 0.3018144897 0 1.3485857253 0.3053588827 -0.5908906715 0 2.1489881763 -0.8375383168 2.3633855944 0 4.3625134794 -0.9055435963 1.1536925966 0 0.7806591338 -1.7498273686 -2.0632794828 0 0.7159650976 1.3899453821 -1.2068680364 0 2.8442254785 1.8287160859 0.5022006068 0 1.207785671 2.6847335749 -1.0087958173 0 2.2863378306 2.9118709104 -0.1605676904 0 -1.6509356992 0.7107216415 -1.6727987636 0 -1.878333458 0.3472335095 -0.2598291304 0 -2.6444498562 -0.7380140889 0.2371204228 0 -1.3863293526 0.9585002211 0.8870125487 0 -3.3908137082 -1.8105848414 -0.4735068374 0 -1.5533008702 0.494763194 3.3498473664 0 2.0356772429 -2.7517727048 0.5187929951 0 3.0205387883 -2.0272783974 -0.757738344 0 0.1495168932 -1.3718648159 -0.0456329246 0 2.4743192016 -0.0199372865 3.0128201997 0 1.0619336397 -0.7757179773 2.2604790251 0 2.3957411907 -1.7848473059 2.8522273305 0 4.8780719503 -0.7526263941 0.2013321632 0 4.7608766733 -0.1931959144 1.8787923705 0 4.5938112465 -1.9151032492 1.5072479278 0 -0.1432256166 -1.3804215983 -2.5084721196 0 0.7086457611 -2.8399887733 -2.0070857634 0 1.6084726634 -1.4998581058 -2.7339292036 0 0.7233490156 3.5182107699 -1.5034570875 0 2.6712544509 3.9094712578 0.0106257588 0 -0.3974231263 1.571755828 -2.9771868572 0 -0.759241644 1.8237997989 1.0210154383 0 -3.7059233536 -2.6096651391 0.1959458904 0 -0.9993894055 -0.355341699 3.7485809444 0 -0.9472988496 1.3951204835 3.4269737046 0 -2.4810699112 0.6255804085 3.9067589475 Gaussian 16 25-Oct-2022 Gaussian 16 3-Jul-2019 EM64L-G16RevC.01 129 C1[X(C18H20F3N3O)] 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 0 331.20730959999975 AuxInfo=1/0/N:8;9;10;11;12;13;14;15;16;17;18;19;20;21;22;23;24;25;1;2;3;5;6;7;4;26;27;28;29;30;31;32;33;34;35;36;37;38;39;40;41;42;43;44;45/rA:45nF0F0F0O0N0N0N0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:3.8596,2.071,1.3865;-2.6191,-2.3659,-1.4777;-4.5234,-1.3158,-1.1012;-2.5371,.5477,-2.5274;-.4457,1.2302,-2.0236;-1.8538,.2642,1.9416;-2.6094,-.7875,1.5676;2.8457,-.7544,.9876;2.2715,-1.8131,.0124;1.0337,-1.1814,-.6638;2.4073,.5315,.3018;1.3486,.3054,-.5909;2.149,-.8375,2.3634;4.3625,-.9055,1.1537;.7807,-1.7498,-2.0633;.716,1.3899,-1.2069;2.8442,1.8287,.5022;1.2078,2.6847,-1.0088;2.2863,2.9119,-.1606;-1.6509,.7107,-1.6728;-1.8783,.3472,-.2598;-2.6444,-.738,.2371;-1.3863,.9585,.887;-3.3908,-1.8106,-.4735;-1.5533,.4948,3.3498;2.0357,-2.7518,.5188;3.0205,-2.0273,-.7577;.1495,-1.3719,-.0456;2.4743,-.0199,3.0128;1.0619,-.7757,2.2605;2.3957,-1.7848,2.8522;4.8781,-.7526,.2013;4.7609,-.1932,1.8788;4.5938,-1.9151,1.5072;-.1432,-1.3804,-2.5085;.7086,-2.84,-2.0071;1.6085,-1.4999,-2.7339;.7233,3.5182,-1.5035;2.6713,3.9095,.0106;-.3974,1.5718,-2.9772;-.7592,1.8238,1.021;-3.7059,-2.6097,.1959;-.9994,-.3553,3.7486;-.9473,1.3951,3.427;-2.4811,.6256,3.9068; oldchk=/home/apulgar/almacen/pesticidas/gaussian_results/C2/fluindapyr/water/CO #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 fluindapyr CONF45 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 19 19 19 16 14 14 14 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 18.9984033 18.9984033 18.9984033 15.9949146 14.0030740 14.0030740 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 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1 1 1 0 2 2 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6.7500000 6.7500000 6.7500000 5.6000000 4.5500000 4.5500000 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 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 (Enter /usr/local/gaussian/gaussian16/g16/l101.exe) 6-311+G(3df,2p) (5D, 7F) 0.10000e-02 0.10000e-05 F 1305 A 1155 A 1155 1670 1305 92 92 2400.4642178754 45 45 45 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 -0.0574923076 PCM SMD-Coulomb. Total charges None On-the-fly selection Water 78.355300 1.777849 0.000000 8.358440 0.000000 9.377347 2.206998 0.000000 7.652298 3.098010 3.074463 0.000000 5.556201 4.237140 4.895003 2.256943 0.000000 6.017889 4.381192 4.345376 4.529855 4.317244 0.000000 7.074739 3.430084 3.326441 4.307839 4.652919 1.347948 0.000000 3.028145 6.208027 7.680059 6.559449 4.882541 4.902334 5.486010 0.000000 4.415423 5.142431 6.903551 5.928532 4.559591 5.005455 5.224359 1.549685 0.000000 4.771478 3.925414 5.575975 4.383376 3.138977 4.149100 4.290295 2.488530 1.545467 0.000000 2.378179 6.068476 7.308618 5.696657 3.746304 4.573472 5.339407 1.521913 2.366315 2.398546 0.000000 3.651413 4.864637 6.113046 4.348302 2.475329 4.082910 4.638890 2.419961 2.388221 1.521443 1.403166 0.000000 3.512800 6.310707 7.533506 6.913674 5.500301 4.172986 4.824765 1.544377 2.548256 3.244331 2.488207 3.267202 0.000000 3.027655 7.602654 9.176780 7.954106 6.146136 6.374262 6.985219 1.533313 2.549189 3.802647 2.571758 3.686952 2.523425 0.000000 5.998300 3.504412 5.408093 4.062258 3.222696 5.199561 5.059850 3.816204 2.556419 1.531612 3.666629 2.591189 4.722283 4.887883 0.000000 4.131834 5.030140 5.897761 3.610514 1.428972 4.217051 4.847386 3.734951 3.763753 2.647176 2.423520 1.398558 4.445441 4.913128 3.255119 0.000000 1.368117 7.166792 8.169547 6.307026 4.190621 5.156609 6.141823 2.628320 3.718946 3.701079 1.383381 2.398417 3.325098 3.194654 4.862712 2.764585 0.000000 3.625815 6.354029 6.989975 4.571365 2.424765 4.892520 5.767607 4.300711 4.733370 3.885362 2.791532 2.419895 4.966273 5.245832 4.578177 1.399141 2.386171 0.000000 2.361328 7.324822 8.070385 5.870008 3.709832 5.345054 6.374982 3.882360 4.728143 4.310083 2.427831 2.803295 4.521866 4.539872 5.255360 2.424267 1.386984 1.390812 0.000000 6.447937 3.231222 3.561565 1.241900 1.358527 3.647498 3.696420 5.426270 4.959356 3.435910 4.516653 3.214339 5.755633 6.838343 3.481297 2.506124 5.117324 3.536935 4.757523 0.000000 6.213349 3.064797 3.235773 2.369875 2.437841 2.203110 2.271913 5.008643 4.686394 3.313576 4.326168 3.244127 4.950178 6.520404 3.836709 2.952036 5.007798 3.943221 4.892004 1.476589 0.000000 7.177340 2.364593 2.378160 3.050825 3.717438 2.129510 1.331857 5.541266 5.037152 3.812747 5.209198 4.209342 5.244803 7.068642 4.248173 4.231513 6.064976 5.301625 6.147559 2.594937 1.418328 0.000000 5.385806 4.261838 4.355114 3.626514 3.070897 1.346346 2.237780 4.566669 4.671864 3.583368 3.862132 3.176563 4.231300 6.049378 4.553581 2.998353 4.336237 3.647383 4.289705 2.585352 1.389590 2.209839 0.000000 8.431769 1.382870 1.386263 3.241786 4.508099 3.535523 2.413169 6.491915 5.683138 4.473094 6.301140 5.191619 6.299538 7.973767 4.464555 5.258027 7.285069 6.453026 7.391182 3.289751 2.643754 1.487433 3.679239 0.000000 5.969796 5.711816 5.649070 5.959307 5.535501 1.458305 2.436392 5.147039 5.576160 5.060743 4.997789 4.897575 4.056486 6.463808 6.307733 5.168614 5.406178 5.605117 5.736571 5.028235 3.627282 3.521280 2.511670 4.827952 0.000000 5.228616 5.079600 6.907145 6.409124 5.336352 5.123303 5.151257 2.205794 1.092310 2.206482 3.311395 3.324086 2.660762 3.037405 3.040734 4.676898 4.651333 5.707410 5.709748 5.512083 5.052680 5.102759 5.060814 5.596186 5.606748 0.000000 4.700801 5.695517 7.585244 6.375750 4.922181 6.024623 6.216176 2.167274 1.095496 2.161453 2.836609 2.874798 3.452028 2.590898 2.607389 4.146106 4.060447 5.054914 5.029002 5.491507 5.466733 5.894408 5.571406 6.421307 6.644770 1.767591 0.000000 5.260125 3.271756 4.791037 4.130657 3.322227 3.261731 3.248970 2.952705 2.168155 1.095529 2.973398 2.132640 3.175966 4.405131 2.147579 3.049086 4.219632 4.301582 4.788487 3.197884 2.667088 2.878883 2.942661 3.592978 4.232396 2.404230 3.029757 0.000000 2.989249 7.184134 8.220304 7.492088 5.954381 4.467731 5.340631 2.186048 3.501248 4.116007 2.767342 3.789436 1.093653 2.793910 5.623859 4.783863 3.139675 5.009266 4.324492 6.285429 5.458080 5.867021 4.514533 7.054125 4.074338 3.724984 4.306377 4.072659 0.000000 4.085862 5.482073 6.541351 6.134248 4.964859 3.111985 3.736195 2.191476 2.755511 2.952379 2.712049 3.062875 1.093663 3.483627 4.441046 4.102717 3.612642 4.762789 4.578094 5.003982 4.032139 4.222876 3.299684 5.326592 3.104883 2.808280 3.809485 2.550696 1.769761 0.000000 4.377024 6.650954 7.982797 7.662573 6.398253 4.804813 5.262772 2.177407 2.842636 3.818574 3.445347 4.161797 1.094188 2.743426 5.174159 5.420075 4.333775 6.024607 5.581045 6.563484 5.700735 5.773922 5.068736 6.674233 4.586849 2.551373 3.671648 3.689671 1.773942 1.774134 0.000000 3.227172 7.850469 9.508017 8.007640 6.101139 7.027095 7.611217 2.179140 2.820357 3.963747 2.786415 3.768849 3.482755 1.093698 4.786613 4.888433 3.300058 5.172123 4.502954 6.948503 6.860858 7.522621 6.529995 8.363561 7.268541 3.489495 2.448466 4.775320 3.770852 4.336304 3.775539 0.000000 2.486159 8.393529 9.815266 8.557145 6.660532 6.630736 7.400776 2.185612 3.507738 4.618744 2.924316 4.241653 2.733490 1.091743 5.814221 5.328128 3.107521 5.407874 4.463605 7.385269 6.996062 7.604655 6.332312 8.637089 6.519672 3.977766 3.652934 5.133937 2.558199 3.763934 3.012440 1.772165 0.000000 4.054911 7.819201 9.501987 8.555383 6.910564 6.819773 7.291219 2.161723 2.763679 4.233906 3.495736 4.456919 2.805580 1.094400 5.226482 5.772994 4.252923 6.241326 5.604081 7.483617 7.080211 7.442526 6.663660 8.227305 6.854897 2.867248 2.760060 4.739019 3.217242 3.786782 2.580203 1.771319 1.769441 0.000000 6.565504 2.857198 4.601178 3.073907 2.672398 5.043185 4.800842 4.642031 3.517552 2.197217 4.249507 2.957106 5.411466 5.825688 1.090055 3.179200 5.318607 4.538694 5.462528 2.710059 3.324423 3.769229 4.306411 3.856547 6.310669 3.973985 3.673268 2.480191 6.259962 4.955903 5.945335 5.740261 6.686390 6.233090 0.000000 6.750013 3.402805 5.524360 4.720433 4.230701 5.638613 5.291574 4.229081 2.752380 2.158988 4.425332 3.508325 5.018507 5.204166 1.093982 4.304967 5.714370 5.636336 6.243607 4.276320 4.461362 4.549506 5.214714 4.496343 6.703261 2.854620 2.750676 2.513028 6.022437 4.753750 5.250956 5.159293 6.206943 5.319818 1.762785 0.000000 5.898868 4.494504 6.348229 4.628309 3.489557 6.079425 6.066409 3.992050 2.842589 2.171951 3.739038 2.814065 5.168505 4.801203 1.094318 3.388134 4.804064 4.543946 5.152188 4.078775 4.657331 5.243557 5.303167 5.495355 7.140565 3.511409 2.485444 3.061351 5.997081 5.076140 5.648553 4.456949 5.737789 5.203101 1.770182 1.770294 0.000000 4.503639 6.767208 7.145502 4.528015 2.621504 5.394286 6.251229 5.381922 5.754776 4.784076 3.874884 3.397958 5.996455 6.314552 5.298010 2.148845 3.372710 1.083537 2.148007 3.680747 4.286077 5.699748 4.088668 6.810521 6.154586 6.717469 6.048605 5.134917 5.998429 5.720112 7.063378 6.197425 6.443274 7.318861 5.075195 6.378131 5.241996 0.000000 2.585628 8.341655 8.961210 6.698525 4.586058 6.123098 7.236799 4.768286 5.736499 5.390075 3.400714 3.885988 5.323753 5.229850 6.316890 3.413716 2.145019 2.163549 1.082901 5.634469 5.784586 7.064498 5.093159 8.348778 6.376323 6.710765 5.996447 5.852763 4.948960 5.440841 6.369919 5.161547 4.968747 6.313618 6.500009 7.312879 6.158160 2.497973 0.000000 6.116671 4.763309 5.374121 2.414369 1.014058 5.293852 5.578000 5.625718 5.245783 3.870366 4.438483 3.216631 6.388319 6.771866 3.640882 2.099218 4.762400 2.773081 4.114830 2.003522 3.328150 4.551476 4.035598 5.164207 6.521298 6.069164 5.437045 4.190233 6.830855 5.922288 7.283586 6.583053 7.300935 7.561796 2.999944 4.650589 3.676629 2.686391 4.879418 0.000000 4.639874 5.220752 5.341366 4.169028 3.117772 2.116068 3.246659 4.432157 4.840410 3.883834 3.494839 3.057260 4.164430 5.805109 4.965378 2.707015 3.640627 2.954748 3.443195 3.048064 2.252371 3.275880 1.077005 4.729431 2.796485 5.385133 5.681682 3.489392 4.221678 3.407410 5.131236 6.252132 5.939340 6.547594 4.806641 5.751088 5.545483 3.382612 4.139954 4.022445 0.000000 8.975687 2.010427 2.006275 4.330381 5.504552 3.838863 2.530621 6.855144 6.033068 5.024273 6.873822 5.887660 6.489855 8.301866 5.096356 6.125183 7.918173 7.323018 8.156081 4.328989 3.505862 2.152092 4.311600 1.089032 4.921215 5.752426 6.818649 4.056468 7.268897 5.509820 6.705704 8.782574 8.964262 8.431342 4.638721 4.939111 6.169169 7.749664 9.121506 6.204774 5.386955 0.000000 5.922494 5.829259 6.071420 6.524473 6.011545 2.092620 2.745120 4.750486 5.175179 4.927941 4.926665 4.978004 3.473264 5.982154 6.236256 5.526748 5.484749 6.061874 6.062353 5.563485 4.163353 3.896539 3.172456 5.065833 1.090176 5.038456 6.265948 4.092599 3.566580 2.576862 3.791286 6.876435 6.058306 6.224173 6.398009 6.497581 7.080523 6.749529 6.755336 7.022252 3.499420 5.002851 0.000000 5.265587 6.402835 6.375149 6.220993 5.476107 2.075341 3.314175 4.995792 5.684389 5.224634 4.665345 4.754146 3.962698 6.217312 6.558919 4.923308 4.808114 5.097405 5.062350 5.193379 3.944288 4.195920 2.614343 5.609016 1.088040 5.878128 6.705846 4.573643 3.725773 3.179664 4.649564 6.996608 6.123960 6.734005 6.601491 7.085711 7.271148 5.622075 5.575601 6.430151 2.451075 5.838481 1.780523 0.000000 6.974576 6.161225 5.746321 6.434924 6.299027 2.094285 2.735859 6.229007 6.610578 6.042220 6.074556 5.915882 5.095111 7.533814 7.205748 6.079019 6.434075 6.481547 6.670716 5.641616 4.219150 3.918205 3.229266 5.094042 1.089963 6.579197 7.685239 5.150842 5.076584 4.150512 5.541253 8.353838 7.564974 7.890923 7.116512 7.560292 8.083352 6.921420 7.246395 7.254346 3.567624 5.073186 1.783986 1.781808 0.000000 C18H20F3N3O 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 0 331.20730959999975 AuxInfo=1/0/N:8;9;10;11;12;13;14;15;16;17;18;19;20;21;22;23;24;25;1;2;3;5;6;7;4;26;27;28;29;30;31;32;33;34;35;36;37;38;39;40;41;42;43;44;45/rA:45nF0F0F0O0N0N0N0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:4.403,.0472,-1.1518;-3.4092,-.1868,1.811;-4.8792,.0361,.18;-2.8797,-2.2041,-.4798;-.6282,-2.2518,-.6294;-1.303,1.9449,-1.385;-2.3489,2.0704,-.544;2.6897,.8131,1.2246;1.6796,.361,2.3095;.5067,-.3285,1.5766;2.4247,-.2215,.1404;1.1709,-.83,.303;2.3179,2.2068,.6726;4.1259,.8235,1.7615;-.1788,-1.3893,2.4431;.6905,-1.7033,-.6781;3.1882,-.5535,-.9644;1.5048,-2.0438,-1.7637;2.7677,-1.4793,-1.9077;-1.8124,-1.5859,-.6249;-1.7978,-.1193,-.7951;-2.6672,.8257,-.1929;-.9326,.6614,-1.5521;-3.7843,.6458,.7726;-.6504,3.1277,-1.9344;1.3485,1.1938,2.9339;2.1659,-.3732,2.9611;-.2367,.4262,1.2974;2.9631,2.4753,-.1687;1.2813,2.2308,.325;2.4373,2.9637,1.4536;4.4371,-.1794,2.0672;4.8322,1.19,1.014;4.1858,1.4794,2.6356;-1.065,-1.8126,1.9702;-.4911,-.9407,3.3907;.5135,-2.2065,2.6678;1.1324,-2.7348,-2.5107;3.4049,-1.7252,-2.748;-.7149,-3.2621,-.6329;-.1058,.3966,-2.1894;-4.1212,1.5903,1.1974;-.2376,3.7268,-1.1225;.1521,2.8005,-2.5923;-1.3729,3.7173,-2.4986; 0.3650036 0.1623334 0.1568125 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= 1155 RedAO= T EigKep= 1.17D-06 NBF= 1155 NBsUse= 1149 1.00D-06 EigRej= 8.97D-07 NBFU= 1149 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= 1283 1280 1280 1283 1283 MxSgAt= 45 MxSgA2= 45. 1 Closed 1 1 1 -1237.39837089937 -1237.47119032504 -0.072819425672 -1237.47125730745 -0.000066982417 -1237.47158376611 -0.000326458653 -1237.47161491258 -0.000031146471 -1237.47161797672 -0.000003064145 -1237.47161850643 -0.000000529711 -1237.47161855613 -0.000000049699 -1237.47161855883 -0.000000002693 -1237.47161855920 -0.000000000369 -1237.47161855926 -0.000000000065 -1237.47161855900 0.000000000264 -1237.47161856 12 1.232125650368e+03 -7.695996160727e+03 2.825978492377e+03 Using DIIS extrapolation, IDIIS= 1040. NGot= 3774873600 LenX= 3771434764 LenY= 3769730434 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. PT59299.900S 2022-10-26T00:36:06.000 -24.69473 -24.69320 -24.69291 -19.10480 -14.41167 -14.35339 -14.35147 -10.34197 -10.29565 -10.25858 -10.22356 -10.22142 -10.22067 -10.20591 -10.19452 -10.18709 -10.18636 -10.18296 -10.18278 -10.18188 -10.17523 -10.15673 -10.15164 -10.15106 -10.14937 -1.25516 -1.22596 -1.19975 -1.07380 -1.05043 -0.94513 -0.88053 -0.86878 -0.83019 -0.81282 -0.78151 -0.75150 -0.74443 -0.73829 -0.70289 -0.68277 -0.68045 -0.65357 -0.63414 -0.62928 -0.60329 -0.59078 -0.58019 -0.57228 -0.55346 -0.54572 -0.54306 -0.53060 -0.51534 -0.50754 -0.49968 -0.49144 -0.47906 -0.47499 -0.46376 -0.45426 -0.44855 -0.44356 -0.43701 -0.43225 -0.43044 -0.42859 -0.42087 -0.41612 -0.41144 -0.41017 -0.40442 -0.40072 -0.40020 -0.38808 -0.38479 -0.37122 -0.36588 -0.35976 -0.35807 -0.34725 -0.33453 -0.32932 -0.32490 -0.32326 -0.30887 -0.29322 -0.28671 -0.28164 -0.26737 -0.25118 -0.24024 -0.04021 -0.02548 -0.01611 -0.01223 0.00444 0.01249 0.01617 0.01816 0.02870 0.03081 0.03338 0.03561 0.04095 0.04271 0.05025 0.05235 0.05388 0.05990 0.06081 0.06224 0.06633 0.07475 0.07683 0.07812 0.08362 0.08518 0.08772 0.09025 0.09738 0.09973 0.10613 0.10801 0.11040 0.11338 0.11795 0.11882 0.12449 0.12784 0.12888 0.13055 0.13493 0.13692 0.13918 0.14364 0.14932 0.15037 0.15449 0.15836 0.16118 0.16295 0.16445 0.16606 0.16804 0.17249 0.17601 0.17632 0.17855 0.18479 0.18687 0.18899 0.19078 0.19096 0.19641 0.19786 0.19904 0.20097 0.20629 0.20865 0.21113 0.21307 0.21449 0.21851 0.21910 0.22299 0.22418 0.22861 0.23124 0.23266 0.23702 0.23801 0.24089 0.24318 0.24491 0.24620 0.24936 0.25251 0.25515 0.25580 0.25695 0.26244 0.26494 0.26604 0.26722 0.27062 0.27500 0.27832 0.27982 0.28273 0.28716 0.29026 0.29466 0.29611 0.29830 0.30155 0.30285 0.30712 0.31414 0.31586 0.31715 0.32160 0.32456 0.32793 0.33109 0.33539 0.33776 0.34200 0.34517 0.34681 0.35088 0.35390 0.35609 0.35647 0.36045 0.36452 0.36773 0.37201 0.37430 0.37887 0.38044 0.38404 0.38651 0.39081 0.39319 0.39591 0.40059 0.40623 0.40987 0.41132 0.41507 0.41723 0.42185 0.42915 0.43009 0.43313 0.43550 0.44044 0.44138 0.44530 0.44655 0.44954 0.45220 0.45823 0.46542 0.46624 0.46966 0.47425 0.48082 0.48461 0.48850 0.49217 0.49742 0.50351 0.50455 0.50798 0.51280 0.51486 0.52339 0.52612 0.52985 0.53152 0.53412 0.53885 0.54239 0.54857 0.55221 0.55885 0.56067 0.56281 0.56697 0.56892 0.57029 0.57480 0.57675 0.57837 0.58319 0.58928 0.58993 0.59449 0.59678 0.60089 0.60439 0.60877 0.61465 0.61507 0.62258 0.62269 0.62461 0.63290 0.63578 0.63946 0.64009 0.64584 0.64873 0.65473 0.65947 0.66309 0.66850 0.67078 0.67261 0.67543 0.67837 0.68023 0.68554 0.69361 0.69828 0.69977 0.70216 0.70528 0.70793 0.71233 0.72253 0.72410 0.72753 0.73003 0.73699 0.73946 0.74150 0.74692 0.75122 0.75606 0.75721 0.76243 0.76969 0.77138 0.77522 0.78062 0.78359 0.79141 0.79456 0.79959 0.80157 0.80493 0.80985 0.81761 0.82344 0.82566 0.82993 0.83306 0.84014 0.84587 0.85116 0.85702 0.86575 0.86995 0.87332 0.87760 0.88662 0.88822 0.89026 0.89652 0.90191 0.90346 0.90990 0.91496 0.92518 0.92892 0.93225 0.93729 0.94364 0.94850 0.95654 0.95810 0.96431 0.96814 0.97070 0.97999 0.98559 0.98779 0.99810 1.00062 1.00583 1.00747 1.01306 1.02114 1.03066 1.03361 1.03973 1.04260 1.04678 1.05526 1.05864 1.05988 1.06599 1.07184 1.07579 1.08346 1.08430 1.09043 1.09396 1.09749 1.10289 1.10765 1.11111 1.11436 1.12338 1.12750 1.13470 1.14002 1.14608 1.14927 1.15292 1.15553 1.16091 1.16800 1.17023 1.17372 1.17745 1.18694 1.18980 1.19501 1.20011 1.20627 1.21595 1.21701 1.21889 1.22362 1.22733 1.23593 1.23789 1.24465 1.25032 1.25119 1.25441 1.25972 1.26236 1.26454 1.27103 1.28142 1.28657 1.28930 1.29502 1.29877 1.30078 1.30234 1.30879 1.31152 1.31568 1.31750 1.32799 1.33141 1.33871 1.34064 1.34809 1.35013 1.35361 1.35833 1.36321 1.36598 1.37216 1.37500 1.37702 1.37931 1.38693 1.39167 1.39772 1.39880 1.40772 1.41058 1.41283 1.41942 1.42133 1.42503 1.43048 1.43624 1.43779 1.44132 1.44580 1.45100 1.45677 1.45806 1.46481 1.46851 1.47110 1.47715 1.47878 1.48140 1.48620 1.49702 1.50007 1.50066 1.50389 1.51053 1.51285 1.51930 1.52528 1.53423 1.53567 1.54310 1.54401 1.55121 1.55911 1.56273 1.56462 1.56989 1.57507 1.58144 1.58262 1.59337 1.60045 1.60398 1.61135 1.61443 1.62293 1.62543 1.63090 1.63224 1.63996 1.64952 1.65313 1.66198 1.66864 1.67542 1.68267 1.68964 1.69503 1.70064 1.71079 1.71258 1.71703 1.73077 1.73344 1.74043 1.75014 1.75308 1.76036 1.77062 1.77488 1.77709 1.79345 1.80323 1.80857 1.81142 1.82183 1.82374 1.83550 1.84093 1.84455 1.85369 1.85750 1.86177 1.86968 1.87589 1.88536 1.89222 1.89849 1.90614 1.90978 1.91560 1.92802 1.93524 1.93692 1.94753 1.95290 1.96814 1.97150 1.98137 1.99102 1.99562 2.00530 2.01138 2.01370 2.02198 2.03070 2.04128 2.04517 2.05650 2.05791 2.06409 2.07450 2.07956 2.08779 2.09857 2.11063 2.11205 2.12211 2.13336 2.13651 2.13754 2.14947 2.15358 2.15800 2.16751 2.17087 2.17959 2.19591 2.19996 2.20664 2.20966 2.21660 2.22872 2.23474 2.25494 2.26347 2.26891 2.27585 2.27970 2.29276 2.30526 2.30957 2.32213 2.32874 2.33796 2.34138 2.34728 2.35787 2.36378 2.37839 2.39021 2.39450 2.40139 2.41264 2.43916 2.44558 2.45961 2.46293 2.46835 2.47854 2.48712 2.50076 2.50432 2.52345 2.52698 2.55165 2.55721 2.56520 2.57692 2.58444 2.59317 2.61766 2.62852 2.65794 2.68244 2.68849 2.71567 2.72237 2.72426 2.74506 2.75187 2.76344 2.77174 2.77915 2.78690 2.80047 2.81100 2.81813 2.82776 2.83115 2.84581 2.84911 2.85614 2.85972 2.86918 2.87139 2.88086 2.88891 2.89256 2.90182 2.90843 2.92025 2.92846 2.93305 2.94327 2.94964 2.95461 2.95900 2.96476 2.96934 2.97276 2.97630 2.98730 3.00002 3.00279 3.01189 3.02281 3.02552 3.03611 3.03809 3.04058 3.04799 3.05377 3.07135 3.07524 3.07909 3.08482 3.09509 3.10128 3.11109 3.12668 3.13508 3.14022 3.14623 3.15179 3.15625 3.16920 3.17405 3.18889 3.19436 3.20367 3.21401 3.22015 3.22237 3.23164 3.23597 3.24090 3.24965 3.25029 3.25602 3.26200 3.27564 3.27981 3.28262 3.29174 3.29711 3.30228 3.30847 3.31569 3.33303 3.33385 3.33734 3.34295 3.35345 3.35569 3.36641 3.37440 3.38056 3.38599 3.39182 3.40477 3.41428 3.41923 3.42793 3.43294 3.43989 3.44371 3.44849 3.45247 3.45910 3.46967 3.47646 3.48555 3.49642 3.50774 3.51468 3.52057 3.52529 3.53061 3.54397 3.54891 3.55005 3.56951 3.57433 3.57527 3.58715 3.59130 3.59343 3.60807 3.61879 3.62339 3.62693 3.63599 3.64654 3.65094 3.65370 3.66715 3.67184 3.68847 3.69564 3.70541 3.71441 3.73205 3.74290 3.75003 3.76319 3.77212 3.79011 3.79703 3.80720 3.81785 3.83196 3.84640 3.84726 3.85989 3.86415 3.87124 3.87629 3.88951 3.90108 3.90719 3.91313 3.91948 3.94113 3.95741 3.95816 3.97085 3.97524 3.99047 3.99559 4.00401 4.01925 4.03569 4.04259 4.04871 4.05839 4.06605 4.09310 4.09561 4.09920 4.10306 4.13165 4.13454 4.13678 4.15839 4.16701 4.17014 4.18103 4.19646 4.20433 4.22279 4.23212 4.25300 4.25842 4.26967 4.28225 4.29686 4.30440 4.30706 4.31338 4.31712 4.33567 4.34509 4.35503 4.35781 4.37557 4.37654 4.38219 4.38730 4.39115 4.39469 4.40169 4.40822 4.41185 4.41530 4.42070 4.42457 4.43799 4.44593 4.44626 4.45016 4.46269 4.47578 4.47994 4.49283 4.49885 4.50608 4.51174 4.52401 4.52726 4.53198 4.53958 4.55047 4.55194 4.56138 4.56916 4.58040 4.58809 4.59382 4.61425 4.62073 4.63256 4.64928 4.65413 4.67480 4.68098 4.68609 4.69075 4.70368 4.70729 4.71930 4.72226 4.72487 4.73781 4.74483 4.75039 4.75866 4.76315 4.77812 4.78136 4.78930 4.79444 4.80692 4.81613 4.81894 4.82640 4.83872 4.84680 4.84797 4.87582 4.88679 4.89142 4.90303 4.91317 4.93297 4.94761 4.96470 4.96744 4.97975 4.98484 4.99344 5.01293 5.04383 5.05859 5.06659 5.07792 5.09370 5.11639 5.13358 5.13709 5.16526 5.18554 5.19786 5.23897 5.24696 5.26502 5.28701 5.35610 5.39638 5.40213 5.45006 5.45968 5.48435 5.51797 5.53202 5.54829 5.57581 5.60397 5.61660 5.65403 5.67034 5.69860 5.70974 5.74808 5.76496 5.77641 5.79205 5.81866 5.83077 5.84471 5.85265 5.86323 5.87814 5.88678 5.89731 5.90617 5.90933 5.98221 6.02944 6.08271 6.13222 6.22201 6.26788 6.31101 6.36800 6.46577 6.48279 6.52013 6.53209 6.53679 6.53903 6.60232 6.62161 6.62888 6.64176 6.64263 6.64728 6.65642 6.67464 6.69280 6.73400 6.74899 6.75464 6.75637 6.77441 6.80453 6.81824 6.88147 6.89003 6.89818 6.91539 6.93896 6.95089 7.01272 7.09883 7.13041 7.21192 7.23020 7.25605 7.25664 7.27484 7.28060 7.28854 7.30018 7.31181 7.31616 7.31938 7.33104 7.34160 7.34744 7.35920 7.36020 7.37244 7.37607 7.38388 7.38925 7.39452 7.41416 7.42264 7.43260 7.44961 7.45248 7.48948 7.50768 7.53190 7.56488 7.57521 7.57761 7.59367 7.60322 7.61232 7.61518 7.65054 7.65436 7.66162 7.67096 7.69140 7.70027 7.71094 7.73284 7.73689 7.74509 7.77366 7.78570 7.81944 7.82272 7.84653 7.86166 7.87339 7.89005 7.89413 7.90298 7.91628 7.94593 7.95864 7.96776 7.99704 8.01997 8.03913 8.05079 8.05675 8.08222 8.10816 8.11380 8.12733 8.18294 8.19324 8.22918 8.26457 8.29190 8.32031 8.35421 8.37464 8.38770 8.40710 8.43928 8.49086 8.50570 8.51390 8.57535 8.63451 8.68043 8.71443 8.76345 8.78654 8.92911 8.96418 9.00156 9.29466 9.45942 10.18999 10.40869 10.49746 10.51509 10.59836 10.69783 10.78926 10.80974 10.85010 10.98390 11.06181 11.19943 11.42129 11.46643 12.19856 14.43726 14.45938 14.67197 14.82322 15.11746 19.32774 19.32884 19.35574 19.36298 19.37658 19.38426 19.40825 19.40919 19.42605 19.46049 19.47228 19.51386 19.67822 19.74770 19.78836 24.17377 24.33864 24.37550 24.40275 24.41439 24.43584 24.46880 24.52957 24.62735 24.70596 24.98734 25.02655 25.12790 25.24560 25.40152 25.42134 25.48202 25.80765 36.15743 36.17739 36.24187 50.46088 67.00943 67.03351 67.05525 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 F F F O N N N C C C C C C C C C C C C C C C C C C H H H H H H H H H H H H H H H H H H H H -0.599717 -0.465742 -0.470294 -0.906954 -0.934997 -0.338136 -0.804194 -0.532963 0.431012 -0.506143 0.497722 0.629436 -0.533674 -0.211953 -0.612322 -0.045844 0.099558 0.048363 -0.303599 0.554843 0.632571 0.217905 -0.245692 1.002014 -0.123747 0.131396 0.127158 0.174627 0.160453 0.234728 0.154275 0.161976 0.161383 0.153924 0.173934 0.161196 0.164975 0.163252 0.167910 0.264070 0.255244 0.191964 0.170976 0.185225 0.163882 -0.00000 8.2402 4.5462 -2.8722 9.8396 -191.4643 -137.0524 -133.6374 -15.8604 -0.6797 -0.0723 -37.4129 16.9990 20.4139 -15.8604 -0.6797 -0.0723 52.0757 13.5396 -28.7889 24.3906 57.0137 22.6375 3.2426 11.8438 -30.2511 7.9410 -6615.1138 -2013.4873 -1797.5265 -225.4460 -105.4772 -26.0946 -41.8800 -89.9665 -2.6948 -1432.5420 -1258.9756 -575.1023 43.9615 -46.5223 -47.3252 (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A) (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A) GINC-BELVIS18 APULGAR 2022-10-26T00:00:00.000 0 Single Point fluindapyr CONF45 water 0 1 Version=EM64L-G16RevC.01 State=1-A HF=-1237.4716186 RMSD=2.933e-09 Dipole=2.4984074,1.1503953,2.7241104 Quadrupole=-20.716816,14.6262025,6.0906135,-4.9749332,-18.6556822,-2.8824572 PG=C01 [X(C18H20F3N3O1)] 0 3.859603581 2.0709571928 1.386548423 0 -2.6191294543 -2.3658598581 -1.4777486018 0 -4.523447246 -1.3157874005 -1.101234074 0 -2.5371208851 0.5477405703 -2.5274502758 0 -0.4456538429 1.2301648063 -2.0236125771 0 -1.8537662584 0.2642088403 1.9415791309 0 -2.6094328051 -0.7874897072 1.5675969335 0 2.8457334231 -0.7543893836 0.9876193394 0 2.2715090697 -1.8130822706 0.0124475771 0 1.0337145409 -1.1813608915 -0.6637639338 0 2.4072599178 0.5315466356 0.3018144897 0 1.3485857253 0.3053588827 -0.5908906715 0 2.1489881763 -0.8375383168 2.3633855944 0 4.3625134794 -0.9055435963 1.1536925966 0 0.7806591338 -1.7498273686 -2.0632794828 0 0.7159650976 1.3899453821 -1.2068680364 0 2.8442254785 1.8287160859 0.5022006068 0 1.207785671 2.6847335749 -1.0087958173 0 2.2863378306 2.9118709104 -0.1605676904 0 -1.6509356992 0.7107216415 -1.6727987636 0 -1.878333458 0.3472335095 -0.2598291304 0 -2.6444498562 -0.7380140889 0.2371204228 0 -1.3863293526 0.9585002211 0.8870125487 0 -3.3908137082 -1.8105848414 -0.4735068374 0 -1.5533008702 0.494763194 3.3498473664 0 2.0356772429 -2.7517727048 0.5187929951 0 3.0205387883 -2.0272783974 -0.757738344 0 0.1495168932 -1.3718648159 -0.0456329246 0 2.4743192016 -0.0199372865 3.0128201997 0 1.0619336397 -0.7757179773 2.2604790251 0 2.3957411907 -1.7848473059 2.8522273305 0 4.8780719503 -0.7526263941 0.2013321632 0 4.7608766733 -0.1931959144 1.8787923705 0 4.5938112465 -1.9151032492 1.5072479278 0 -0.1432256166 -1.3804215983 -2.5084721196 0 0.7086457611 -2.8399887733 -2.0070857634 0 1.6084726634 -1.4998581058 -2.7339292036 0 0.7233490156 3.5182107699 -1.5034570875 0 2.6712544509 3.9094712578 0.0106257588 0 -0.3974231263 1.571755828 -2.9771868572 0 -0.759241644 1.8237997989 1.0210154383 0 -3.7059233536 -2.6096651391 0.1959458904 0 -0.9993894055 -0.355341699 3.7485809444 0 -0.9472988496 1.3951204835 3.4269737046 0 -2.4810699112 0.6255804085 3.9067589475