Gaussian 16 GINC-CIBELES2-317 APULGAR Optimization terbinafine CONF22 water EM64L-G16RevC.01 8-Dec-2022 Gaussian 16 3-Jul-2019 EM64L-G16RevC.01 47 47 79 79 634 (5D, 7F) 6-311+G(d,p) 135 135 C1[X(C21H25N)] C1[X(C21H25N)] RB3LYP 6-311+G(d,p) FOpt #P B3LYP 6-311+G(d,p) EmpiricalDispersion=gd3 scrf=(smd,Solvent=Water) opt freq 266.23139999999984 0 1 AuxInfo=1/0/N:2;3;4;5;6;7;8;9;10;11;12;13;14;15;16;17;18;19;20;21;22;1;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/rA:47nN0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:-3.3779,-1.5219,-.1541;-3.3351,-.0667,-.0348;-2.0977,.5577,-.6346;-1.1838,1.3517,.1193;-.023,1.8675,-.5254;3.8056,-.9,-.1713;-2.4107,-2.1664,.7259;-1.8488,.3473,-1.969;-1.3449,1.629,1.5003;-4.7121,-1.9871,.1774;.1983,1.601,-1.8948;-.7048,.8616,-2.6046;.9133,2.6259,.2166;4.8209,-1.4293,.8463;3.9983,.6091,-.3582;3.9933,-1.6138,-1.5144;-.9952,-1.9787,.2946;-.4197,2.3625,2.1932;.7249,2.8695,1.5478;2.4471,-1.1564,.315;-.0215,-1.5752,1.1149;1.3187,-1.3699,.6886;-3.4746,.2389,1.0096;-4.2011,.3277,-.572;-2.5283,-1.8437,1.7731;-2.6267,-3.2396,.7083;-2.5449,-.242,-2.552;-2.2086,1.2551,2.0317;-4.7735,-3.068,.052;-5.4444,-1.5353,-.4919;-5.0137,-1.7529,1.2081;1.089,1.9945,-2.3698;-.5443,.6624,-3.6559;1.7897,3.0082,-.2927;4.7072,-2.503,.9994;4.709,-.9351,1.8121;5.8358,-1.2457,.4894;5.0097,.8125,-.7148;3.2967,1.0101,-1.0911;3.8564,1.1479,.5794;3.854,-2.6908,-1.4147;3.285,-1.2477,-2.2587;5.0017,-1.4372,-1.8929;-.7615,-2.2117,-.739;-.5687,2.5545,3.2478;1.449,3.4481,2.1063;-.2522,-1.3313,2.148; g16 /usr/local/gaussian/gaussian16/g16/l1.exe "/temporal/apulgar/opt-b3lyp-pople.com-4539980/Gau-24313.inp" -scrdir="/temporal/apulgar/opt-b3lyp-pople.com-4539980/" chk=/home/apulgar/almacen/pesticidas/G2-G4/terbinafine/gaussian/water/CONF22/op #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 terbinafine CONF22 water 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 14 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 14.0030740 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 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 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 (Enter /usr/local/gaussian/gaussian16/g16/l101.exe) Berny optimization. R1 R2 R3 R4 R5 R6 R7 R8 R9 R10 R11 R12 R13 R14 R15 R16 R17 R18 R19 R20 R21 R22 R23 R24 R25 R26 R27 R28 R29 R30 R31 R32 R33 R34 R35 R36 R37 R38 R39 R40 R41 R42 R43 R44 R45 R46 R47 R48 1 1 1 2 2 2 3 3 4 4 5 5 6 6 6 6 7 7 7 8 8 9 9 10 10 10 11 11 12 13 13 14 14 14 15 15 15 16 16 16 17 17 18 18 19 20 21 21 2 7 10 3 23 24 4 8 5 9 11 13 14 15 16 20 17 25 26 12 27 18 28 29 30 31 12 32 33 19 34 35 36 37 38 39 40 41 42 43 21 44 19 45 46 22 22 47 1.4608 1.4579 1.4513 1.5102 1.0971 1.0928 1.4262 1.3736 1.4245 1.4177 1.4125 1.4151 1.5319 1.5329 1.5325 1.4654 1.4916 1.1021 1.0949 1.4061 1.0825 1.369 1.0808 1.09 1.0901 1.0992 1.366 1.0835 1.082 1.3663 1.0834 1.0905 1.0906 1.0913 1.0915 1.091 1.0907 1.0906 1.0908 1.0915 1.3356 1.0851 1.4085 1.0823 1.0821 1.2076 1.4213 1.0862 estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|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 2 2 7 1 1 1 3 3 23 2 2 4 3 3 5 4 4 11 14 14 14 15 15 16 1 1 1 17 17 25 3 3 12 4 4 18 1 1 1 29 29 30 5 5 12 8 8 11 5 5 19 6 6 6 35 35 36 6 6 6 38 38 39 6 6 6 41 41 42 7 7 21 9 9 19 13 13 18 17 17 22 1 1 1 2 2 2 2 2 2 3 3 3 4 4 4 5 5 5 6 6 6 6 6 6 7 7 7 7 7 7 8 8 8 9 9 9 10 10 10 10 10 10 11 11 11 12 12 12 13 13 13 14 14 14 14 14 14 15 15 15 15 15 15 16 16 16 16 16 16 17 17 17 18 18 18 19 19 19 21 21 21 7 10 10 3 23 24 23 24 24 4 8 8 5 9 9 11 13 13 15 16 20 16 20 20 17 25 26 25 26 26 12 27 27 18 28 28 29 30 31 30 31 31 12 32 32 11 33 33 19 34 34 35 36 37 36 37 37 38 39 40 39 40 40 41 42 43 42 43 43 21 44 44 19 45 45 18 46 46 22 47 47 111.8172 109.125 109.2886 113.7955 110.5743 107.2269 111.5412 107.7528 105.4673 123.0417 118.0975 118.8608 118.9777 123.4347 117.5609 119.8774 119.7271 120.3873 109.7436 109.8805 109.4844 109.6497 109.2238 108.8396 113.5447 111.9211 107.025 109.823 107.8119 106.3345 122.0405 119.3441 118.6111 121.4013 120.1372 118.4606 110.084 110.1477 113.4649 107.6108 107.6812 107.6433 120.1533 119.0319 120.8142 120.0618 119.5092 120.4281 121.014 118.5436 120.4418 111.3633 111.3226 109.9335 108.1323 107.9738 107.9884 109.8642 111.2789 111.4182 107.9352 108.0209 108.1975 111.3601 111.2355 109.9836 108.1087 108.0277 108.0015 123.5226 116.9226 119.5369 120.6725 119.6861 119.6414 119.6237 120.3955 119.9808 123.15 119.8109 116.9434 estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2 A82 A83 A84 A85 6 20 6 20 20 22 20 22 22 21 22 21 5 5 5 5 -1 -1 -2 -2 179.5113 estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2 178.0203 178.6286 180.1997 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 7 7 7 10 10 10 2 2 2 10 10 10 2 2 2 7 7 7 1 1 23 23 24 24 2 2 8 8 2 2 4 4 3 3 9 9 3 3 5 5 4 4 13 13 4 4 11 11 15 15 15 16 16 16 20 20 20 14 14 14 16 16 16 20 20 20 14 14 14 15 15 15 20 20 20 14 14 15 15 16 16 1 1 25 25 26 26 3 3 27 27 4 4 28 28 5 5 32 32 5 5 34 34 7 7 44 44 9 9 45 45 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 2 2 2 2 3 3 3 3 3 3 3 3 4 4 4 4 4 4 4 4 5 5 5 5 5 5 5 5 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 7 7 7 7 7 7 8 8 8 8 9 9 9 9 11 11 11 11 13 13 13 13 17 17 17 17 18 18 18 18 2 2 2 2 2 2 7 7 7 7 7 7 10 10 10 10 10 10 3 3 3 3 3 3 4 4 4 4 8 8 8 8 5 5 5 5 9 9 9 9 11 11 11 11 13 13 13 13 14 14 14 14 14 14 14 14 14 15 15 15 15 15 15 15 15 15 16 16 16 16 16 16 16 16 16 21 21 21 21 21 21 17 17 17 17 17 17 12 12 12 12 18 18 18 18 12 12 12 12 19 19 19 19 21 21 21 21 19 19 19 19 3 23 24 3 23 24 17 25 26 17 25 26 29 30 31 29 30 31 4 8 4 8 4 8 5 9 5 9 12 27 12 27 11 13 11 13 18 28 18 28 12 32 12 32 19 34 19 34 35 36 37 35 36 37 35 36 37 38 39 40 38 39 40 38 39 40 41 42 43 41 42 43 41 42 43 17 47 17 47 17 47 21 44 21 44 21 44 11 33 11 33 19 45 19 45 8 33 8 33 18 46 18 46 22 47 22 47 13 46 13 46 71.3911 -55.0604 -169.556 -167.5836 65.9649 -48.5307 -70.9307 54.1056 170.2275 168.1389 -66.8248 49.2972 177.5805 59.0724 -61.6722 -59.8644 -178.3725 60.8829 -121.1355 58.9256 4.8073 -175.1316 120.1118 -59.8271 178.2243 0.1476 -1.8372 -179.914 -178.4052 0.83 1.6533 -179.1115 0.7123 -178.2485 178.9019 -0.0589 177.9558 -1.6914 -0.1463 -179.7935 0.6618 -179.5973 179.6157 -0.6435 0.2285 179.9439 -178.7269 0.9885 -179.9786 59.2636 -60.3536 -59.3348 179.9073 60.2901 60.1496 -60.6083 179.7746 59.6281 179.1058 -60.0453 -61.1553 58.3224 179.1713 179.6588 -60.8635 59.9854 59.7587 -179.5753 -59.9646 -179.5409 -58.8749 60.7359 -60.1188 60.5471 -179.8421 -139.1608 46.037 100.3031 -74.4991 -18.6551 166.5427 130.8867 -50.6644 4.7327 -176.8184 -110.7241 67.7248 -0.2779 179.3801 -179.5184 0.1396 0.1883 -179.7696 179.8412 -0.1167 -0.9011 179.4441 179.3628 -0.2921 -0.1911 179.797 -179.9011 0.0869 -178.5309 -2.1979 3.0587 179.3917 -0.017 179.9949 179.9409 -0.0472 estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|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 656 A 634 A 992 656 1769.5215091878 47 1.00e+00 60 F IExCor= 402 DFT=T Ex+Corr=B3LYP ExCW=0 ScaHFX= 0.200000 ScaDFX= 0.800000 0.720000 1.000000 0.810000 ScalE2= 1.000000 1.000000 IRadAn= 5 IRanWt= -1 IRanGd= 0 ICorTp=0 IEmpDi=131 NPDir=0 NMtPBC= 1 NCelOv= 1 NCel= 1 NClECP= 1 NCelD= 1 NCelK= 1 NCelE2= 1 NClLst= 1 CellRange= 0.0. One-electron integrals computed using PRISM. One-electron integral symmetry used in STVInt NBasis= 634 RedAO= T EigKep= 1.58D-06 NBF= 634 NBsUse= 628 1.00D-06 EigRej= 9.00D-07 NBFU= 628 Berny optimization. local minimum Step number 26 out of a maximum of 254 All quantities printed in internal units (Hartrees-Bohrs-Radians) 0.00019 0.00168 0.00334 0.00343 0.00359 0.00756 0.00949 0.01084 0.01365 0.01455 0.01583 0.01776 0.01849 0.01936 0.02018 0.02089 0.02119 0.02162 0.02214 0.02245 0.02264 0.02291 0.02314 0.02339 0.02385 0.02467 0.03367 0.03890 0.03997 0.04696 0.04800 0.04935 0.05150 0.05516 0.05523 0.05527 0.05666 0.05669 0.05672 0.05806 0.06387 0.06613 0.06723 0.07276 0.07571 0.08988 0.09979 0.10464 0.10631 0.13751 0.14239 0.15077 0.15412 0.15753 0.15859 0.15932 0.15988 0.15995 0.15998 0.15999 0.16000 0.16000 0.16000 0.16001 0.16001 0.16005 0.16006 0.16018 0.16037 0.16046 0.16084 0.16125 0.16198 0.16261 0.17390 0.19654 0.21402 0.22003 0.22101 0.22386 0.22623 0.23196 0.23762 0.24526 0.24968 0.28181 0.29185 0.29279 0.29546 0.32147 0.33206 0.33513 0.33764 0.34080 0.34286 0.34449 0.34637 0.34645 0.34669 0.34699 0.34735 0.34736 0.34749 0.34755 0.34761 0.34794 0.34829 0.35338 0.35463 0.35571 0.35590 0.35695 0.35729 0.35742 0.35755 0.35989 0.36155 0.36935 0.37255 0.37867 0.38458 0.40657 0.41638 0.42178 0.42533 0.43304 0.43541 0.45664 0.48953 0.49479 0.50714 0.52237 0.58767 1.00809 1.06545 -8.05742183e-06 R1 R2 R3 R4 R5 R6 R7 R8 R9 R10 R11 R12 R13 R14 R15 R16 R17 R18 R19 R20 R21 R22 R23 R24 R25 R26 R27 R28 R29 R30 R31 R32 R33 R34 R35 R36 R37 R38 R39 R40 R41 R42 R43 R44 R45 R46 R47 R48 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 2.80356 2.79028 2.77555 2.86634 2.07433 2.06472 2.70851 2.61096 2.71475 2.68910 2.68046 2.68608 2.91752 2.92093 2.91819 2.77862 2.83188 2.08387 2.07104 2.66734 2.04993 2.59971 2.04373 2.06334 2.06353 2.08478 2.59612 2.04998 2.04910 2.59533 2.04932 2.06577 2.06569 2.06724 2.06755 2.06534 2.06399 2.06572 2.06568 2.06726 2.53407 2.05272 2.67326 2.04930 2.04890 2.28780 2.68650 2.05580 1.96595 1.88796 1.90087 2.00497 1.91881 1.85692 1.94124 1.87991 1.85335 2.14625 2.06141 2.07552 2.07472 2.15496 2.05280 2.09038 2.08671 2.10591 1.91254 1.91469 1.91309 1.91251 1.90218 1.90874 1.98890 1.94449 1.85601 1.92157 1.88456 1.86173 2.13097 2.07762 2.07457 2.11873 2.09035 2.07392 1.91822 1.91798 1.96277 1.88960 1.88764 1.88584 2.09963 2.07400 2.10955 2.09482 2.08672 2.10164 2.11225 2.06665 2.10421 1.93633 1.93577 1.91401 1.89311 1.89178 1.89171 1.91176 1.93736 1.93502 1.89409 1.89415 1.89044 1.93631 1.93542 1.91368 1.89310 1.89203 1.89219 2.16037 2.03379 2.08898 2.10633 2.08915 2.08769 2.08952 2.10108 2.09257 2.16542 2.08314 2.03238 3.11069 3.09292 3.12607 3.16876 1.17585 -1.02937 -3.02909 -3.00539 1.07257 -0.92714 -1.28426 0.90294 2.92494 2.90442 -1.19157 0.83043 3.10262 1.02487 -1.07662 -1.03845 -3.11620 1.06549 -1.91864 1.22641 0.27499 -2.86314 2.29917 -0.83896 3.11721 0.01691 -0.02787 -3.12817 -3.11927 0.01371 0.02565 -3.12456 0.01347 -3.10764 3.11619 -0.00492 3.09975 -0.02055 -0.00104 -3.12133 0.00408 -3.13425 3.12495 -0.01337 0.00695 3.13591 -3.11397 0.01499 -3.13673 1.04126 -1.04752 -1.03635 -3.14155 1.05287 1.05974 -1.04546 -3.13424 1.06841 -3.12350 -1.02149 -1.03330 1.05798 -3.12320 -3.12138 -1.03010 1.07191 1.04352 -3.13473 -1.04579 -3.13927 -1.03433 1.05461 -1.05522 1.04972 3.13866 -2.74905 0.51698 1.45106 -1.56609 -0.62622 2.63981 2.39587 -0.75616 0.19657 -2.95546 -1.82966 1.30150 -0.00805 3.13155 -3.14105 -0.00145 0.00518 -3.13148 3.12567 -0.01098 -0.00718 3.13642 3.13108 -0.00850 -0.00288 3.13284 -3.13157 0.00415 -3.10385 -0.03685 0.04849 3.11549 -0.00322 -3.13897 3.13344 -0.00231 -0.00013 -0.00022 -0.00016 -0.00014 0.00002 -0.00002 -0.00008 -0.00011 -0.00008 -0.00006 -0.00003 -0.00006 -0.00005 -0.00012 -0.00003 0.00000 -0.00003 0.00003 -0.00002 -0.00002 0.00000 -0.00009 -0.00002 -0.00001 -0.00002 0.00003 -0.00005 -0.00001 -0.00001 -0.00007 -0.00000 -0.00000 -0.00000 -0.00001 -0.00001 -0.00002 0.00001 -0.00001 -0.00000 -0.00001 -0.00008 0.00003 -0.00006 -0.00002 -0.00001 -0.00001 0.00003 -0.00004 0.00010 -0.00013 0.00004 0.00011 0.00006 -0.00012 -0.00012 0.00004 0.00001 -0.00015 0.00010 0.00004 -0.00000 -0.00001 0.00002 -0.00001 -0.00002 0.00002 -0.00001 0.00003 -0.00001 -0.00002 0.00001 0.00000 -0.00003 0.00003 0.00000 0.00009 -0.00010 -0.00001 -0.00003 0.00001 0.00002 -0.00001 0.00001 0.00000 -0.00002 -0.00001 0.00001 0.00002 0.00000 -0.00000 -0.00001 0.00000 0.00000 0.00001 -0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00002 -0.00000 -0.00002 0.00001 0.00002 0.00001 -0.00001 -0.00004 0.00001 0.00002 0.00001 0.00003 -0.00001 -0.00002 -0.00001 0.00002 0.00001 0.00002 0.00014 -0.00006 -0.00008 0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00012 0.00002 0.00010 0.00014 0.00019 -0.00010 -0.00021 -0.00010 -0.00008 -0.00007 -0.00008 -0.00006 -0.00005 -0.00022 -0.00010 -0.00008 -0.00015 -0.00002 -0.00001 -0.00004 -0.00004 -0.00004 0.00003 0.00002 0.00003 -0.00011 -0.00007 -0.00003 0.00001 -0.00005 -0.00001 0.00006 0.00000 0.00001 -0.00004 -0.00003 -0.00003 0.00001 0.00001 -0.00003 -0.00005 0.00002 0.00000 0.00005 0.00004 -0.00000 -0.00001 0.00001 0.00001 0.00004 0.00003 -0.00000 0.00002 -0.00002 -0.00000 0.00001 0.00001 0.00000 -0.00001 -0.00001 -0.00001 0.00000 0.00000 0.00000 0.00001 -0.00000 0.00001 -0.00000 -0.00001 -0.00001 -0.00000 -0.00001 -0.00000 0.00000 0.00000 0.00000 -0.00001 -0.00001 -0.00001 -0.00000 -0.00000 -0.00000 0.00014 -0.00004 0.00005 -0.00012 0.00006 -0.00012 0.00010 0.00003 0.00001 -0.00006 0.00002 -0.00005 -0.00002 -0.00000 -0.00002 0.00000 0.00000 -0.00000 0.00002 0.00001 0.00001 -0.00001 0.00002 -0.00000 0.00000 0.00000 -0.00002 -0.00002 -0.00011 -0.00017 -0.00004 -0.00010 -0.00001 -0.00001 0.00000 0.00000 -0.00000 -0.00001 -0.00001 -0.00001 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00001 -0.00001 0.00001 -0.00001 0.00000 0.00001 0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00001 0.00000 -0.00001 0.00001 0.00000 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 0.00001 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00001 -0.00001 -0.00000 -0.00000 -0.00001 -0.00011 -0.00011 -0.00011 -0.00010 -0.00009 -0.00010 -0.00009 -0.00008 -0.00008 -0.00010 -0.00009 -0.00009 -0.00005 -0.00005 -0.00005 -0.00004 -0.00004 -0.00004 0.00009 0.00007 0.00009 0.00007 0.00009 0.00007 -0.00004 -0.00005 -0.00002 -0.00003 0.00004 0.00002 0.00002 0.00000 0.00001 0.00000 0.00002 0.00001 0.00001 0.00000 -0.00000 -0.00001 0.00001 0.00001 0.00001 0.00002 -0.00001 0.00000 -0.00002 -0.00001 -0.00001 -0.00001 -0.00001 -0.00001 -0.00001 -0.00001 -0.00000 -0.00000 -0.00000 -0.00002 -0.00002 -0.00002 -0.00002 -0.00002 -0.00002 -0.00002 -0.00002 -0.00002 -0.00001 -0.00001 -0.00001 -0.00000 -0.00000 -0.00000 -0.00001 -0.00001 -0.00001 0.00002 0.00002 0.00002 0.00002 0.00003 0.00003 0.00005 0.00006 0.00004 0.00005 0.00005 0.00005 -0.00000 -0.00000 0.00001 0.00001 -0.00001 -0.00001 0.00000 -0.00000 -0.00001 -0.00001 -0.00001 -0.00001 0.00001 0.00001 -0.00001 -0.00001 -0.00001 -0.00001 -0.00001 -0.00001 0.00000 0.00000 0.00001 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00001 -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 -0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00001 -0.00001 0.00001 -0.00001 0.00000 0.00001 0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00001 0.00000 -0.00001 0.00001 0.00000 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 0.00001 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00001 -0.00001 -0.00000 -0.00000 -0.00001 -0.00011 -0.00011 -0.00011 -0.00010 -0.00009 -0.00010 -0.00009 -0.00008 -0.00008 -0.00010 -0.00009 -0.00009 -0.00005 -0.00005 -0.00005 -0.00004 -0.00004 -0.00004 0.00009 0.00007 0.00009 0.00007 0.00009 0.00007 -0.00004 -0.00005 -0.00002 -0.00003 0.00004 0.00002 0.00002 0.00000 0.00001 0.00000 0.00002 0.00001 0.00001 0.00000 -0.00000 -0.00001 0.00001 0.00001 0.00001 0.00002 -0.00001 0.00000 -0.00002 -0.00001 -0.00001 -0.00001 -0.00001 -0.00001 -0.00001 -0.00001 -0.00000 -0.00000 -0.00000 -0.00002 -0.00002 -0.00002 -0.00002 -0.00002 -0.00002 -0.00002 -0.00002 -0.00002 -0.00001 -0.00001 -0.00001 -0.00000 -0.00000 -0.00000 -0.00001 -0.00001 -0.00001 0.00002 0.00002 0.00002 0.00002 0.00003 0.00003 0.00005 0.00006 0.00004 0.00005 0.00005 0.00005 -0.00000 -0.00000 0.00001 0.00001 -0.00001 -0.00001 0.00000 -0.00000 -0.00001 -0.00001 -0.00001 -0.00001 0.00001 0.00001 -0.00001 -0.00001 -0.00001 -0.00001 -0.00001 -0.00001 0.00000 0.00000 0.00001 0.00000 2.80356 2.79027 2.77555 2.86633 2.07434 2.06472 2.70851 2.61095 2.71475 2.68909 2.68046 2.68608 2.91751 2.92093 2.91819 2.77862 2.83188 2.08387 2.07104 2.66734 2.04993 2.59971 2.04372 2.06334 2.06353 2.08478 2.59612 2.04998 2.04910 2.59533 2.04932 2.06577 2.06569 2.06724 2.06755 2.06534 2.06399 2.06572 2.06568 2.06726 2.53407 2.05273 2.67326 2.04930 2.04890 2.28780 2.68651 2.05579 1.96596 1.88796 1.90088 2.00496 1.91881 1.85691 1.94124 1.87992 1.85335 2.14625 2.06141 2.07552 2.07472 2.15496 2.05280 2.09038 2.08671 2.10591 1.91255 1.91469 1.91310 1.91251 1.90218 1.90874 1.98889 1.94449 1.85601 1.92158 1.88456 1.86172 2.13097 2.07762 2.07457 2.11873 2.09035 2.07392 1.91822 1.91797 1.96277 1.88960 1.88764 1.88584 2.09963 2.07400 2.10955 2.09482 2.08672 2.10164 2.11225 2.06665 2.10421 1.93632 1.93577 1.91400 1.89311 1.89178 1.89171 1.91176 1.93735 1.93502 1.89409 1.89415 1.89044 1.93631 1.93542 1.91367 1.89310 1.89203 1.89219 2.16038 2.03378 2.08897 2.10633 2.08915 2.08769 2.08952 2.10108 2.09257 2.16541 2.08314 2.03239 3.11068 3.09292 3.12606 3.16874 1.17574 -1.02948 -3.02920 -3.00549 1.07248 -0.92724 -1.28435 0.90286 2.92486 2.90432 -1.19166 0.83034 3.10257 1.02482 -1.07667 -1.03849 -3.11624 1.06546 -1.91856 1.22648 0.27508 -2.86307 2.29926 -0.83889 3.11717 0.01686 -0.02789 -3.12820 -3.11923 0.01374 0.02566 -3.12456 0.01348 -3.10764 3.11621 -0.00490 3.09976 -0.02055 -0.00104 -3.12134 0.00408 -3.13424 3.12497 -0.01336 0.00693 3.13591 -3.11399 0.01499 -3.13674 1.04125 -1.04753 -1.03635 -3.14155 1.05286 1.05973 -1.04547 -3.13424 1.06839 -3.12352 -1.02151 -1.03332 1.05795 -3.12322 -3.12140 -1.03012 1.07189 1.04351 -3.13474 -1.04580 -3.13927 -1.03433 1.05461 -1.05523 1.04971 3.13865 -2.74903 0.51700 1.45108 -1.56607 -0.62619 2.63984 2.39592 -0.75610 0.19661 -2.95541 -1.82961 1.30155 -0.00805 3.13154 -3.14103 -0.00144 0.00517 -3.13148 3.12567 -0.01098 -0.00719 3.13642 3.13106 -0.00851 -0.00287 3.13285 -3.13158 0.00414 -3.10386 -0.03686 0.04848 3.11548 -0.00322 -3.13897 3.13344 -0.00231 |Maximum Force|RMS Force|Maximum Displacement|RMS Displacement| 0.000223 0.000057 0.001010 0.000235 0.000450 0.000300 0.001800 0.001200 YES YES YES YES -9.541927e-08 Optimization completed. -- Stationary point found. R1 R2 R3 R4 R5 R6 R7 R8 R9 R10 R11 R12 R13 R14 R15 R16 R17 R18 R19 R20 R21 R22 R23 R24 R25 R26 R27 R28 R29 R30 R31 R32 R33 R34 R35 R36 R37 R38 R39 R40 R41 R42 R43 R44 R45 R46 R47 R48 1 1 1 2 2 2 3 3 4 4 5 5 6 6 6 6 7 7 7 8 8 9 9 10 10 10 11 11 12 13 13 14 14 14 15 15 15 16 16 16 17 17 18 18 19 20 21 21 2 7 10 3 23 24 4 8 5 9 11 13 14 15 16 20 17 25 26 12 27 18 28 29 30 31 12 32 33 19 34 35 36 37 38 39 40 41 42 43 21 44 19 45 46 22 22 47 1.4836 1.4766 1.4688 1.5168 1.0977 1.0926 1.4333 1.3817 1.4366 1.423 1.4184 1.4214 1.5439 1.5457 1.5442 1.4704 1.4986 1.1027 1.0959 1.4115 1.0848 1.3757 1.0815 1.0919 1.092 1.1032 1.3738 1.0848 1.0843 1.3734 1.0845 1.0932 1.0931 1.0939 1.0941 1.0929 1.0922 1.0931 1.0931 1.0939 1.341 1.0863 1.4146 1.0844 1.0842 1.2107 1.4216 1.0879 -DE/DX = -0.0001|-DE/DX = -0.0002|-DE/DX = -0.0002|-DE/DX = -0.0001|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = -0.0001|-DE/DX = -0.0001|-DE/DX = -0.0001|-DE/DX = -0.0001|-DE/DX = 0.0|-DE/DX = -0.0001|-DE/DX = -0.0001|-DE/DX = -0.0001|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = -0.0001|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = -0.0001|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = -0.0001|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = -0.0001|-DE/DX = 0.0|-DE/DX = -0.0001|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0 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 2 2 7 1 1 1 3 3 23 2 2 4 3 3 5 4 4 11 14 14 14 15 15 16 1 1 1 17 17 25 3 3 12 4 4 18 1 1 1 29 29 30 5 5 12 8 8 11 5 5 19 6 6 6 35 35 36 6 6 6 38 38 39 6 6 6 41 41 42 7 7 21 9 9 19 13 13 18 17 17 22 1 1 1 2 2 2 2 2 2 3 3 3 4 4 4 5 5 5 6 6 6 6 6 6 7 7 7 7 7 7 8 8 8 9 9 9 10 10 10 10 10 10 11 11 11 12 12 12 13 13 13 14 14 14 14 14 14 15 15 15 15 15 15 16 16 16 16 16 16 17 17 17 18 18 18 19 19 19 21 21 21 7 10 10 3 23 24 23 24 24 4 8 8 5 9 9 11 13 13 15 16 20 16 20 20 17 25 26 25 26 26 12 27 27 18 28 28 29 30 31 30 31 31 12 32 32 11 33 33 19 34 34 35 36 37 36 37 37 38 39 40 39 40 40 41 42 43 42 43 43 21 44 44 19 45 45 18 46 46 22 47 47 112.6408 108.1722 108.912 114.8765 109.9395 106.3936 111.2247 107.7111 106.1892 122.9712 118.1099 118.9186 118.8729 123.4699 117.617 119.77 119.5595 120.66 109.5806 109.7035 109.6122 109.5789 108.987 109.3626 113.9555 111.4108 106.3414 110.0978 107.9775 106.6691 122.0955 119.0387 118.8639 121.3942 119.768 118.8267 109.9059 109.892 112.4583 108.2658 108.1538 108.0509 120.2997 118.8315 120.8685 120.0242 119.5605 120.4152 121.023 118.4106 120.5624 110.9433 110.9115 109.6644 108.4674 108.3908 108.3867 109.5358 111.0023 110.8684 108.5231 108.5269 108.3143 110.9426 110.8912 109.6455 108.4668 108.4053 108.4144 123.7803 116.5275 119.6895 120.6839 119.6996 119.6159 119.7209 120.3829 119.8953 124.0693 119.3553 116.4469 -DE/DX = 0.0001|-DE/DX = -0.0001|-DE/DX = 0.0|-DE/DX = 0.0001|-DE/DX = 0.0001|-DE/DX = -0.0001|-DE/DX = -0.0001|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = -0.0001|-DE/DX = 0.0001|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0001|-DE/DX = -0.0001|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0001|-DE/DX = -0.0001|-DE/DX = -0.0001|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = -0.0001|-DE/DX = 0.0|-DE/DX = 0.0001 A82 A83 A84 6 20 6 20 22 20 22 21 22 5 5 5 -1 -1 -2 178.2297 -DE/DX = 0.0001|-DE/DX = 0.0002|-DE/DX = -0.0001 177.2115 179.1104 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 7 7 7 10 10 10 2 2 2 10 10 10 2 2 2 7 7 7 1 1 23 23 24 24 2 2 8 8 2 2 4 4 3 3 9 9 3 3 5 5 4 4 13 13 4 4 11 11 15 15 15 16 16 16 20 20 20 14 14 14 16 16 16 20 20 20 14 14 14 15 15 15 20 20 20 14 14 15 15 16 16 1 1 25 25 26 26 3 3 27 27 4 4 28 28 5 5 32 32 5 5 34 34 7 7 44 44 9 9 45 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 2 2 2 2 3 3 3 3 3 3 3 3 4 4 4 4 4 4 4 4 5 5 5 5 5 5 5 5 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 7 7 7 7 7 7 8 8 8 8 9 9 9 9 11 11 11 11 13 13 13 13 17 17 17 17 18 18 18 2 2 2 2 2 2 7 7 7 7 7 7 10 10 10 10 10 10 3 3 3 3 3 3 4 4 4 4 8 8 8 8 5 5 5 5 9 9 9 9 11 11 11 11 13 13 13 13 14 14 14 14 14 14 14 14 14 15 15 15 15 15 15 15 15 15 16 16 16 16 16 16 16 16 16 21 21 21 21 21 21 17 17 17 17 17 17 12 12 12 12 18 18 18 18 12 12 12 12 19 19 19 19 21 21 21 21 19 19 19 3 23 24 3 23 24 17 25 26 17 25 26 29 30 31 29 30 31 4 8 4 8 4 8 5 9 5 9 12 27 12 27 11 13 11 13 18 28 18 28 12 32 12 32 19 34 19 34 35 36 37 35 36 37 35 36 37 38 39 40 38 39 40 38 39 40 41 42 43 41 42 43 41 42 43 17 47 17 47 17 47 21 44 21 44 21 44 11 33 11 33 19 45 19 45 8 33 8 33 18 46 18 46 22 47 22 47 13 46 13 67.3711 -58.9787 -173.5538 -172.1964 61.4538 -53.1213 -73.5824 51.7347 167.5868 166.4111 -68.2718 47.5803 177.7673 58.7209 -61.6858 -59.4986 -178.545 61.0483 -109.9302 70.2683 15.7557 -164.0458 131.7326 -48.0688 178.6032 0.969 -1.5968 -179.2311 -178.7208 0.7858 1.4695 -179.0239 0.7716 -178.0546 178.5445 -0.2817 177.6026 -1.1774 -0.0594 -178.8393 0.2335 -179.5793 179.0466 -0.7663 0.3981 179.6746 -178.4175 0.859 -179.7215 59.6595 -60.0184 -59.3783 -179.9973 60.3247 60.7183 -59.9006 -179.5786 61.2151 -178.9633 -58.5271 -59.2039 60.6177 -178.9461 -178.8417 -59.0201 61.4161 59.7891 -179.6068 -59.9193 -179.8667 -59.2626 60.4249 -60.4595 60.1446 179.8321 -157.509 29.6207 83.1399 -89.7305 -35.8797 151.2499 137.2731 -43.3248 11.2626 -169.3353 -104.8319 74.5702 -0.4613 179.4244 -179.9687 -0.083 0.2966 -179.4204 179.0877 -0.6292 -0.4115 179.7038 179.3974 -0.4873 -0.1649 179.4986 -179.4259 0.2376 -177.8375 -2.1114 2.7783 178.5044 -0.1846 -179.8497 179.5326 -DE/DX = -0.0001|-DE/DX = -0.0001|-DE/DX = -0.0001|-DE/DX = -0.0001|-DE/DX = -0.0001|-DE/DX = 0.0|-DE/DX = -0.0002|-DE/DX = -0.0001|-DE/DX = -0.0001|-DE/DX = -0.0001|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = -0.0001|-DE/DX = -0.0001|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = -0.0001|-DE/DX = 0.0|-DE/DX = 0.0001|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0001|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0001|-DE/DX = 0.0|-DE/DX = 0.0001|-DE/DX = -0.0001|-DE/DX = 0.0001|-DE/DX = -0.0001|-DE/DX = 0.0001|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = -0.0001|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = -0.0001|-DE/DX = -0.0002|-DE/DX = 0.0|-DE/DX = -0.0001|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0 1 Grimme-D3 -0.0518975800 PCM SMD-Coulomb. Total charges None On-the-fly selection Water 78.355300 1.777849 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 266.23139999999984 AuxInfo=1/0/N:2;3;4;5;6;7;8;9;10;11;12;13;14;15;16;17;18;19;20;21;22;1;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/rA:47nN0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:-3.3779,-1.5219,-.1541;-3.3351,-.0667,-.0348;-2.0977,.5577,-.6346;-1.1837,1.3517,.1194;-.023,1.8675,-.5254;3.8055,-.9,-.1713;-2.4107,-2.1664,.7259;-1.8488,.3473,-1.969;-1.3449,1.629,1.5003;-4.7121,-1.9871,.1774;.1983,1.601,-1.8948;-.7048,.8616,-2.6046;.9133,2.6259,.2166;4.821,-1.4293,.8463;3.9983,.6091,-.3582;3.9933,-1.6138,-1.5144;-.9952,-1.9787,.2946;-.4197,2.3625,2.1932;.725,2.8695,1.5478;2.4471,-1.1564,.315;-.0215,-1.5752,1.1149;1.3187,-1.3699,.6886;-3.4746,.2388,1.0096;-4.2011,.3278,-.572;-2.5283,-1.8437,1.7731;-2.6267,-3.2396,.7083;-2.5449,-.242,-2.552;-2.2086,1.2551,2.0317;-4.7735,-3.068,.0521;-5.4444,-1.5353,-.4919;-5.0137,-1.7529,1.2081;1.089,1.9945,-2.3698;-.5443,.6624,-3.6559;1.7897,3.0082,-.2927;4.7072,-2.503,.9994;4.709,-.9351,1.8121;5.8358,-1.2457,.4894;5.0097,.8125,-.7148;3.2967,1.0101,-1.0911;3.8564,1.1479,.5794;3.854,-2.6908,-1.4147;3.285,-1.2477,-2.2587;5.0017,-1.4372,-1.8929;-.7615,-2.2117,-.739;-.5687,2.5545,3.2478;1.4491,3.4481,2.1063;-.2522,-1.3313,2.148; 0.000000 1.460767 0.000000 2.488911 1.510192 0.000000 3.625868 2.581415 1.426249 0.000000 4.783452 3.866698 2.455967 1.424453 0.000000 7.210385 7.190384 6.098172 5.481583 4.737304 0.000000 1.457853 2.417039 3.060980 3.774961 4.851696 6.407069 0.000000 3.020951 2.474158 1.373606 2.410858 2.779982 6.062915 3.727860 0.000000 4.098614 3.031944 2.504438 1.417692 2.430570 5.976372 4.017550 3.732634 0.000000 1.451282 2.372594 3.737684 4.857974 6.110562 8.593801 2.372621 4.272584 5.115075 0.000000 5.056843 4.327229 2.819195 2.455364 1.412503 4.715713 5.279001 2.401575 3.729419 6.424926 0.000000 4.339570 3.792593 2.431736 2.808811 2.408235 5.419200 4.813661 1.406127 4.224762 5.649166 1.366015 0.000000 5.979683 5.036037 3.750743 2.455729 1.415087 4.576922 5.854458 4.194991 2.782246 7.275023 2.453529 3.700027 0.000000 8.260235 8.315895 7.349075 6.657247 6.017821 1.531918 7.270129 7.454380 6.913640 9.572746 6.169742 6.905901 5.666718 0.000000 7.680644 7.371561 6.102480 5.256732 4.216902 1.532855 7.067849 6.070560 5.748380 9.104852 4.217257 5.218182 3.730351 2.506575 0.000000 7.496254 7.634624 6.526031 6.185843 5.406242 1.532488 6.807009 6.179175 6.935392 8.876096 4.988140 5.421101 5.518876 2.508380 2.505595 0.000000 2.467313 3.039671 2.917578 3.340334 4.050992 4.942426 1.491632 3.356031 3.819870 3.718772 4.362561 4.069074 4.985074 5.868013 5.661982 5.318870 0.000000 5.417562 4.400499 3.750946 2.430313 2.791654 5.838503 5.160265 4.840171 1.368991 6.434818 4.203989 5.035165 2.398563 6.607341 5.394743 7.002270 4.773066 0.000000 6.246183 5.254474 4.251420 2.826175 2.421063 5.162817 5.989015 5.035194 2.413574 7.417928 3.706439 4.828857 1.366279 5.979065 4.411009 6.337073 5.294755 1.408510 0.000000 5.855359 5.894382 4.949247 4.417226 3.993904 1.465434 4.978717 5.092395 4.852056 7.208566 4.188498 4.746696 4.082677 2.447827 2.444661 2.438528 3.539226 4.912147 4.548991 0.000000 3.588724 3.818020 3.452609 3.302818 3.813465 4.093491 2.491810 4.067613 3.488064 4.801044 4.381181 4.498881 4.396620 4.852110 4.806296 4.799308 1.335565 4.102070 4.527691 2.628597 0.000000 4.774101 4.886671 4.139820 3.740755 3.708659 2.672895 3.813740 4.477099 4.092288 6.083833 4.093293 4.463099 4.043951 3.506279 3.491750 3.473567 2.424881 4.383715 4.366130 1.207648 1.421343 0.000000 2.112787 1.097107 2.168182 2.697962 4.113663 7.462715 2.645293 3.395164 2.590171 2.679294 4.876556 4.595879 5.057704 8.463194 7.606085 8.097652 3.402395 3.904259 4.984601 6.123396 3.902000 5.066264 0.000000 2.067240 1.092768 2.116887 3.260514 4.453041 8.110155 3.333299 2.735952 3.761082 2.486185 4.767110 4.079289 5.662196 9.300359 8.207042 8.473824 4.043367 5.107416 5.934654 6.869389 4.892439 5.910974 1.742769 0.000000 2.130655 2.660322 3.427685 3.840964 5.033097 6.692433 1.102122 4.389248 3.678883 2.708474 5.723032 5.459682 5.851856 7.419026 7.290767 7.306939 2.134157 4.723831 5.731345 5.230033 2.605604 4.024958 2.411489 3.607352 0.000000 2.063688 3.334954 4.062386 4.848634 5.863759 6.900800 1.094889 4.543061 5.096444 2.489929 6.179650 5.611558 6.868618 7.665735 7.735700 7.169921 2.103070 6.201600 7.018530 5.498930 3.118098 4.366085 3.592991 4.104189 1.758468 0.000000 2.842870 2.644094 2.125035 3.395366 3.862212 6.813829 3.803379 1.082450 4.621847 3.897654 3.369457 2.146301 5.277206 8.198377 6.953431 6.760596 3.677055 5.815208 6.097632 5.828854 4.646590 5.167251 3.712213 2.643496 4.612157 4.429680 0.000000 3.722494 2.699342 2.758231 2.171799 3.419154 6.757813 3.667800 4.118134 1.080838 4.496381 4.618422 4.889925 3.862607 7.617496 6.682439 7.698617 3.866197 2.110123 3.383237 5.517092 3.692500 4.597469 1.918371 3.407235 3.125936 4.704134 4.833672 0.000000 2.092993 3.329412 4.558230 5.694298 6.874594 8.851576 2.617222 4.929838 5.992921 1.089957 7.092844 6.249360 8.049094 9.765758 9.520234 9.023595 3.939709 7.282258 8.229512 7.474041 5.093108 6.356444 3.679625 3.499786 3.082575 2.251455 4.442325 5.402537 0.000000 2.093917 2.610553 3.949850 5.182793 6.400883 9.277273 3.329357 4.319071 5.548644 1.090134 6.606339 5.715973 7.631350 10.352755 9.684068 9.493232 4.539916 6.902904 7.850046 7.941716 5.656070 6.867371 3.046660 2.241207 3.705287 3.504996 3.784669 4.962361 1.759368 0.000000 2.141210 2.684411 4.151815 5.049000 6.404623 8.967142 2.679407 4.951935 4.998271 1.099173 6.931164 6.319746 7.435462 9.846645 9.447182 9.410499 4.127251 6.245937 7.376590 7.537756 4.996233 6.365264 2.524917 2.856246 2.550462 2.856268 4.745132 4.194616 1.767465 1.767180 0.000000 6.101473 5.410436 3.902590 3.431385 2.157419 4.537784 6.256548 3.391806 4.586384 7.482898 1.083465 2.134527 2.668184 5.999478 3.798687 4.710244 5.218172 4.820033 4.030570 4.356691 5.110710 4.552516 5.943827 5.830547 6.706712 7.118802 4.270834 5.549233 8.115640 7.659693 8.005458 0.000000 5.006377 4.629545 3.398906 3.890621 3.394730 5.788322 5.539517 2.155657 5.306793 6.251814 2.129313 1.082039 4.580029 7.309664 5.613631 5.509673 4.773437 6.092501 5.793172 5.293832 5.295401 5.145439 5.525731 4.795337 6.300112 6.213634 2.457461 5.955715 6.749217 6.233157 7.033401 2.469039 0.000000 6.873531 5.982007 4.607985 3.428573 2.154350 4.399113 6.742192 4.809220 3.865568 8.212594 2.660725 4.021808 1.083366 5.493362 3.261525 5.264060 5.741892 3.387956 2.130799 4.259664 5.125338 4.511291 6.089178 6.569061 6.815633 7.716312 5.869952 4.945971 8.950694 8.544864 8.438394 2.415117 4.718187 0.000000 8.225749 8.466625 7.638342 7.094818 6.618201 2.180129 7.131127 7.740572 7.345206 9.469167 6.749028 7.321158 6.427494 1.090470 3.468550 2.760309 5.769647 7.168272 6.709917 2.718410 4.820280 3.586421 8.629015 9.478431 7.306567 7.376540 8.385503 7.938383 9.544678 10.306098 9.752072 6.683595 7.698671 6.368204 0.000000 8.343220 8.298956 7.385513 6.543649 5.975778 2.179733 7.306607 7.677609 6.581899 9.619568 6.365479 7.214202 5.443721 1.090617 2.756773 3.469595 5.994134 6.109304 5.515219 2.721457 4.824287 3.597965 8.306245 9.309622 7.294219 7.767988 8.493762 7.259410 9.877529 10.428826 9.775747 6.259014 7.749064 5.338690 1.766016 0.000000 9.240286 9.261163 8.213098 7.493779 6.711654 2.162803 8.301088 8.223944 7.800468 10.578479 6.750481 7.536075 6.268553 1.091328 2.744970 2.746844 6.872918 7.419798 6.646457 3.394293 5.899805 4.523129 9.442317 10.214747 8.483100 8.696940 8.971726 8.564164 10.773531 11.326464 10.885092 6.419151 7.844033 5.922601 1.764819 1.765101 0.000000 8.724499 8.418489 7.112425 6.272608 5.145584 2.162907 8.124795 6.987735 6.778958 10.156146 5.016398 6.019106 4.575711 2.738339 1.091541 2.749401 6.698400 6.351225 5.264011 3.391725 5.861943 4.511713 8.676775 9.224689 8.370574 8.761262 7.845949 7.735867 10.552644 10.716825 10.523695 4.416832 6.286455 3.920147 3.744641 3.086994 2.523566 0.000000 7.200021 6.801167 5.432555 4.653652 3.474990 2.180276 6.779862 5.261757 5.351902 8.644842 3.255063 4.280756 3.162589 3.468117 1.090958 2.747558 5.410514 5.140800 4.127359 2.718934 4.749858 3.569872 7.131527 7.546693 7.090738 7.508995 6.150279 6.334093 9.114096 9.123876 9.054499 2.734623 4.631661 2.626918 4.324527 3.769204 3.746093 1.764953 0.000000 7.746104 7.319153 6.105204 5.065210 4.097332 2.181822 7.091056 6.299577 5.304032 9.132855 4.439491 5.569989 3.313341 2.764747 1.090707 3.468401 5.778830 4.729143 3.702364 2.714002 4.768700 3.576453 7.399674 8.180599 7.151141 7.829291 7.260438 6.237395 9.619154 9.739218 9.353560 4.131996 6.126996 2.914156 3.772198 2.566182 3.107301 1.765709 1.767212 0.000000 7.433426 7.776397 6.825186 6.638787 6.049731 2.180667 6.641027 6.485247 7.361094 8.741123 5.658083 5.900672 6.290995 2.763834 3.467935 1.090566 5.190662 7.537748 7.034489 2.706579 4.760566 3.549091 8.256384 8.643255 7.184216 6.841575 6.945118 8.012666 8.759384 9.415208 9.294874 5.523524 5.967509 6.164253 2.567328 3.771717 3.105075 3.754830 3.756585 4.325803 0.000000 6.992772 7.082754 5.905081 5.690464 4.863244 2.179264 6.495579 5.383611 6.621245 8.392509 4.216062 4.526283 5.172753 3.468942 2.751115 1.090766 5.037205 6.824817 6.163961 2.708192 4.735135 3.545058 7.653980 7.833793 7.099624 6.907865 5.923192 7.406152 8.578586 8.911002 9.007898 3.917475 4.501512 4.920696 3.770099 4.323996 3.749466 3.098855 2.541877 3.757763 1.765950 0.000000 8.558554 8.650575 7.480907 7.077192 6.167514 2.164049 7.895148 7.079498 7.822663 9.947162 5.683626 6.193181 6.137946 2.745157 2.747622 1.091474 6.406306 7.779833 6.976841 3.388116 5.856493 4.498058 9.114882 9.463161 8.384822 8.258754 7.668990 8.639409 10.099351 10.540073 10.489247 5.226231 6.186627 5.713016 3.096383 3.750237 2.531266 2.539499 3.088544 3.755921 1.765618 1.765487 0.000000 2.768347 3.423503 3.076638 3.689553 4.150955 4.785468 2.206357 3.040295 4.483946 4.061716 4.097961 3.595667 5.207758 5.855708 5.545979 4.854545 1.085063 5.444121 5.766943 3.538364 2.095216 2.659721 4.052633 4.278735 3.093216 2.574975 3.216625 4.667963 4.177966 4.737948 4.699297 4.876035 4.100706 5.827058 5.745765 6.169644 6.779827 6.515618 5.193559 5.860934 4.689187 4.428595 5.928364 0.000000 6.006855 5.029830 4.625849 3.407707 3.873908 6.538976 5.660398 5.807378 2.124370 6.871754 5.286205 6.093874 3.374842 7.119434 6.135604 7.801585 5.427088 1.082262 2.159402 5.609566 4.680068 5.051021 4.337763 5.722247 5.035726 6.652543 6.735246 2.420077 7.714049 7.381352 6.517058 5.883827 7.158413 4.278251 7.646504 6.487903 7.941510 7.060868 6.012748 5.355398 8.295323 7.722014 8.566781 6.216827 0.000000 7.287674 6.310756 5.333509 3.908253 3.404581 5.444862 6.951663 6.090855 3.388562 8.439255 4.580935 5.789767 2.129293 6.061865 4.542269 6.723442 6.221443 2.162926 1.082140 5.040415 5.327156 5.023886 5.978647 6.988146 6.628167 7.955584 7.160146 4.265345 9.241215 8.894046 8.344093 4.719971 6.703497 2.462706 6.874306 5.470468 6.624877 5.251984 4.425056 3.662965 7.474418 6.668907 7.244351 6.709356 2.484524 0.000000 3.886669 3.983461 3.836245 3.490197 4.175102 4.693665 2.716404 4.724001 3.221284 4.919719 5.014485 5.253645 4.555009 5.238412 5.302192 5.613992 2.099066 3.697898 4.354521 3.267550 1.086236 2.144587 3.760980 5.073908 2.362951 3.369338 5.341566 3.245085 5.277441 5.828324 4.871652 5.768027 6.143744 5.381192 5.223808 4.988355 6.310458 6.362338 5.344986 5.048530 5.603726 5.651332 6.628967 3.060951 4.050821 5.073293 0.000000 C21H25N C1 1 C1 1 C1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 266.23139999999984 AuxInfo=1/0/N:2;3;4;5;6;7;8;9;10;11;12;13;14;15;16;17;18;19;20;21;22;1;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/rA:47nN0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:3.4544,-1.3726,.1134;3.3582,.085,.1047;2.086,.6154,.7217;1.1577,1.4312,.0097;-.0348,1.8527,.665;-3.7465,-1.0177,.0123;2.5306,-1.9822,-.8353;1.8184,.2937,2.03;1.3359,1.82,-1.3419;4.8118,-1.7615,-.2218;-.2733,1.4734,2.0046;.643,.7151,2.6765;-.9843,2.6314,-.0383;-4.7201,-1.5037,-1.0659;-4.0007,.4645,.3095;-3.9338,-1.8393,1.2923;1.1005,-1.8804,-.4237;.3975,2.5704,-1.998;-.7786,2.9837,-1.3423;-2.3697,-1.1857,-.4606;.1288,-1.4508,-1.2331;-1.2267,-1.3282,-.8233;3.507,.4751,-.9099;4.1975,.4683,.6903;2.6568,-1.5755,-1.8518;2.7871,-3.045,-.8948;2.5247,-.313,2.5822;2.2239,1.5202,-1.8803;4.9121,-2.8459,-.1779;5.5126,-1.3362,.4968;5.125,-1.4375,-1.2243;-1.1878,1.7962,2.4876;.469,.4296,3.7056;-1.8848,2.9408,.4784;-4.5622,-2.5575,-1.2978;-4.6077,-.9326,-1.9882;-5.7482,-1.3855,-.7194;-5.0262,.6025,.6571;-3.3299,.8331,1.0869;-3.8607,1.0789,-.5808;-3.7513,-2.8996,1.1139;-3.2552,-1.5061,2.0786;-4.9557,-1.7296,1.6598;.8551,-2.2009,.5835;.5602,2.8485,-3.0312;-1.5129,3.5767,-1.8716;.3708,-1.1196,-2.2389; 0.4085124 0.2034128 0.1770987 -14.30804 -10.19996 -10.18986 -10.18865 -10.18334 -10.18167 -10.18148 -10.18027 -10.17613 -10.17438 -10.17172 -10.17154 -10.17073 -10.17051 -10.17050 -10.16979 -10.16734 -10.16458 -10.16228 -10.15327 -10.15323 -10.15254 -0.93270 -0.88020 -0.83448 -0.82748 -0.80719 -0.78618 -0.74480 -0.74390 -0.73457 -0.69434 -0.68918 -0.68543 -0.68484 -0.62771 -0.61798 -0.61554 -0.59562 -0.57573 -0.56212 -0.51842 -0.51032 -0.50228 -0.49545 -0.47679 -0.47356 -0.46708 -0.45427 -0.44480 -0.44008 -0.43946 -0.42819 -0.42374 -0.41667 -0.40213 -0.40053 -0.39100 -0.38895 -0.38803 -0.37928 -0.37399 -0.36631 -0.36347 -0.36216 -0.35913 -0.35109 -0.34247 -0.33926 -0.33596 -0.33283 -0.32474 -0.31928 -0.28885 -0.26593 -0.25147 -0.23305 -0.22617 -0.21552 -0.05069 -0.02387 -0.01828 0.00465 0.01209 0.01419 0.01622 0.02227 0.02882 0.03211 0.03506 0.03702 0.04222 0.04508 0.05113 0.05265 0.05342 0.05779 0.05829 0.06434 0.06539 0.07256 0.07421 0.07744 0.08087 0.08343 0.08457 0.08681 0.09184 0.09414 0.09970 0.10363 0.10566 0.11015 0.11162 0.11525 0.11719 0.11923 0.12557 0.13030 0.13210 0.13369 0.13617 0.14231 0.14350 0.14926 0.15348 0.15590 0.15856 0.16158 0.16454 0.16712 0.17164 0.17350 0.17733 0.18130 0.18362 0.18412 0.19120 0.19182 0.19462 0.19686 0.19905 0.20202 0.20577 0.20804 0.20995 0.21134 0.21539 0.21839 0.22124 0.22186 0.22259 0.22519 0.22831 0.23055 0.23415 0.23566 0.24043 0.24144 0.24352 0.24519 0.24875 0.25022 0.25206 0.25410 0.25639 0.25760 0.25790 0.26156 0.26465 0.26762 0.26900 0.27501 0.27610 0.27634 0.28348 0.28589 0.28997 0.29102 0.29269 0.29744 0.29782 0.29908 0.30051 0.30533 0.30742 0.30865 0.31002 0.31720 0.32025 0.32342 0.32748 0.32858 0.33549 0.33933 0.34185 0.34427 0.34596 0.35055 0.35888 0.36471 0.36904 0.37105 0.37450 0.38491 0.39480 0.40394 0.40985 0.42346 0.42851 0.44422 0.45037 0.45973 0.47463 0.47837 0.48214 0.49068 0.49100 0.50559 0.50647 0.51100 0.51465 0.52683 0.53043 0.53976 0.54642 0.55176 0.55644 0.55837 0.56513 0.57213 0.57602 0.57831 0.58656 0.58964 0.59214 0.59769 0.60063 0.60794 0.61121 0.61289 0.62832 0.63167 0.63510 0.64222 0.64636 0.64803 0.65775 0.66349 0.66683 0.66924 0.67741 0.68121 0.68304 0.69163 0.69634 0.69799 0.70143 0.70560 0.70922 0.71142 0.71838 0.71992 0.72391 0.72680 0.73122 0.73229 0.73588 0.73823 0.74236 0.74498 0.75377 0.75715 0.76083 0.76766 0.76819 0.77495 0.77575 0.78038 0.78458 0.78889 0.79137 0.79812 0.80476 0.80688 0.81769 0.82156 0.82937 0.83958 0.84275 0.84489 0.85499 0.85836 0.86036 0.86927 0.87100 0.88198 0.89573 0.90256 0.90729 0.90889 0.91896 0.93110 0.93585 0.94473 0.95449 0.96012 0.97210 0.97588 0.98436 0.99037 1.00199 1.01014 1.01341 1.02253 1.03341 1.04367 1.05417 1.06855 1.07387 1.07975 1.08671 1.09663 1.10040 1.10750 1.11495 1.12236 1.14156 1.14359 1.15684 1.16342 1.16472 1.17720 1.18064 1.18768 1.20243 1.20362 1.20927 1.24489 1.26411 1.26838 1.28438 1.29754 1.30901 1.31623 1.33445 1.35012 1.35622 1.38377 1.39017 1.41720 1.43394 1.44418 1.45973 1.46180 1.46821 1.47325 1.47621 1.48050 1.48653 1.49306 1.50500 1.51173 1.51743 1.52126 1.52526 1.53781 1.54274 1.54876 1.55499 1.55771 1.56649 1.57801 1.58035 1.58579 1.59064 1.59959 1.60218 1.61652 1.61721 1.62313 1.63051 1.63871 1.64358 1.64731 1.65658 1.65682 1.66937 1.67221 1.68088 1.68372 1.68820 1.69208 1.70401 1.70945 1.71993 1.73517 1.74653 1.75065 1.75299 1.75739 1.76323 1.76883 1.77181 1.77870 1.78505 1.78720 1.79459 1.80165 1.80578 1.82401 1.84063 1.84613 1.84944 1.85379 1.87206 1.87842 1.88609 1.90288 1.90885 1.92119 1.93054 1.93496 1.94718 1.94904 1.95171 1.95406 1.96450 1.97098 1.97732 1.98267 1.99214 1.99374 2.00140 2.00340 2.00932 2.02202 2.02841 2.03841 2.04995 2.06743 2.07991 2.09550 2.10971 2.11970 2.12922 2.13277 2.13412 2.14368 2.15857 2.17430 2.17555 2.19357 2.20332 2.21382 2.22001 2.22443 2.22913 2.24344 2.25322 2.26447 2.28697 2.29317 2.30938 2.32503 2.34420 2.37243 2.39252 2.41452 2.42664 2.42957 2.43964 2.44391 2.44906 2.45625 2.46469 2.47322 2.48701 2.49555 2.50561 2.51044 2.51458 2.53233 2.53539 2.54250 2.55080 2.55852 2.56311 2.56658 2.57007 2.57838 2.58667 2.59287 2.59549 2.62387 2.63587 2.64169 2.65721 2.66654 2.66738 2.67729 2.68069 2.69554 2.71428 2.72097 2.72332 2.73442 2.74395 2.74972 2.75424 2.75737 2.76630 2.77423 2.78208 2.78652 2.79168 2.79685 2.80333 2.80868 2.81622 2.83690 2.84713 2.84951 2.86488 2.87218 2.88147 2.89010 2.89305 2.91572 2.92237 2.92481 2.92882 2.93461 2.94684 2.95477 2.95686 2.97309 2.98439 2.99148 3.01033 3.02256 3.02538 3.04778 3.06038 3.07662 3.09134 3.09550 3.10157 3.12639 3.13948 3.14356 3.15650 3.19532 3.21202 3.22511 3.23551 3.24289 3.26575 3.29437 3.30487 3.35665 3.38826 3.41637 3.43568 3.44416 3.51295 3.52772 3.56281 3.58146 3.58423 3.60444 3.63428 3.65222 3.66330 3.69987 3.74175 3.75832 3.78513 3.79391 3.80895 3.81781 3.82861 3.84201 3.84652 3.84716 3.85367 3.86647 3.87704 3.88589 4.02065 4.05235 4.06247 4.07952 4.14451 4.21370 4.23373 4.30489 4.32541 4.32829 4.36893 4.42036 4.47670 4.85036 4.86394 4.89318 4.90888 23.54539 23.60436 23.82537 23.84643 23.86682 23.89107 23.96735 23.96889 23.98337 23.98977 23.99282 23.99985 24.01724 24.03698 24.04388 24.14637 24.15981 24.22359 24.22833 24.26245 25.15622 35.55658 1-A. 0.6251 0.2189 -0.5931 0.8890 -112.2318 -137.6261 -127.2387 -7.3602 -7.9009 -3.0733 13.4671 -11.9273 -1.5398 -7.3602 -7.9009 -3.0733 6.3797 -20.3012 2.5737 -6.9804 -12.2259 -1.0945 5.9554 9.5918 -12.1535 4.5051 -5543.5300 -2474.1773 -1320.4182 -43.4333 -50.8607 -112.9407 -40.7360 -21.0516 -50.6138 -1367.0430 -1237.6534 -631.0027 4.7431 -20.6386 -25.6751 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 266.23139999999984 AuxInfo=1/0/N:2;3;4;5;6;7;8;9;10;11;12;13;14;15;16;17;18;19;20;21;22;1;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/rA:47nN0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:-3.4111,-1.5005,-.1671;-3.4144,-.017,-.1499;-2.1584,.6303,-.7012;-1.2118,1.3229,.1226;-.0357,1.8775,-.4882;3.8492,-.9284,-.1942;-2.4198,-2.0775,.7627;-1.9262,.5473,-2.0607;-1.3465,1.4532,1.5332;-4.7504,-1.9661,.2158;.16,1.7464,-1.8869;-.7718,1.0962,-2.6592;.9329,2.5311,.3211;4.8565,-1.1002,.9631;3.9006,.5263,-.7141;4.2029,-1.9005,-1.3408;-1.0011,-1.9459,.2983;-.3868,2.0857,2.2893;.7664,2.6339,1.6805;2.4902,-1.2166,.2875;.0163,-1.5969,1.0991;1.3565,-1.4274,.6561;-3.6367,.3451,.8623;-4.2526,.2967,-.7765;-2.527,-1.6577,1.7768;-2.6532,-3.1457,.8384;-2.6494,.0374,-2.6882;-2.2089,1.032,2.0314;-4.791,-3.0564,.174;-5.4943,-1.569,-.478;-5.0308,-1.6506,1.2351;1.0568,2.1649,-2.3312;-.6264,.999,-3.7294;1.8162,2.9382,-.1586;4.842,-2.1243,1.345;4.6241,-.4201,1.7868;5.8671,-.8787,.6075;4.9033,.7438,-1.0941;3.182,.6787,-1.5234;3.6716,1.2337,.0859;4.1709,-2.9378,-.9975;3.5048,-1.7901,-2.1747;5.2124,-1.6882,-1.7048;-.8119,-2.1602,-.7497;-.5129,2.1612,3.3637;1.5159,3.1276,2.289;-.183,-1.3597,2.1419; 0.000000 1.483581 0.000000 2.528819 1.516800 0.000000 3.590604 2.592536 1.433283 0.000000 4.786139 3.888371 2.471144 1.436584 0.000000 7.282839 7.320739 6.227222 5.548241 4.801336 0.000000 1.476551 2.463282 3.089332 3.664987 4.784467 6.444900 0.000000 3.159704 2.486866 1.381660 2.424563 2.795722 6.246324 3.886483 0.000000 3.984763 3.044810 2.515730 1.423009 2.446223 5.970876 3.769883 3.751356 0.000000 1.468760 2.391114 3.781658 4.831985 6.123505 8.671704 2.396514 4.413118 5.001429 0.000000 5.123725 4.347824 2.833102 2.469667 1.418438 4.861119 5.319628 2.412511 3.748671 6.505089 0.000000 4.463126 3.810511 2.444119 2.825507 2.421901 5.615068 4.949598 1.411495 4.246665 5.785612 1.373808 0.000000 5.946616 5.061042 3.770172 2.469600 1.421414 4.553944 5.716195 4.216979 2.797569 7.248165 2.467521 3.721199 0.000000 8.354076 8.415485 7.414419 6.588051 5.908233 1.543883 7.344390 7.606725 6.732138 9.674771 6.187338 7.044365 5.384463 0.000000 7.607074 7.356850 6.059906 5.241312 4.167933 1.545691 6.993451 5.980390 5.782830 9.050785 4.105654 5.093068 3.727976 2.524329 0.000000 7.714250 7.936577 6.876060 6.469227 5.741652 1.544241 6.950971 6.638916 7.092437 9.087830 5.472046 5.955312 5.752691 2.525052 2.524595 0.000000 2.494541 3.121747 2.995850 3.280302 4.021078 4.980322 1.498565 3.554713 3.632962 3.750239 4.444794 4.248964 4.876900 5.955606 5.582426 5.456209 0.000000 5.295374 4.420102 3.768230 2.440717 2.807322 5.761706 4.878113 4.864005 1.375709 6.305340 4.225518 5.061146 2.411183 6.277059 5.462085 7.080490 4.538229 0.000000 6.161060 5.278003 4.270997 2.838884 2.432865 5.070357 5.761255 5.059703 2.424865 7.330823 3.725861 4.854263 1.373390 5.584514 4.472046 6.441940 5.099950 1.414630 0.000000 5.925549 6.041092 5.098830 4.492348 4.068870 1.470381 5.007502 5.303710 4.837326 7.279642 4.351700 4.967149 4.058462 2.463640 2.455622 2.460148 3.566694 4.815598 4.442786 0.000000 3.655026 3.978141 3.595953 3.314702 3.820213 4.100117 2.505703 4.284229 3.368825 4.861861 4.484942 4.690297 4.299498 4.867562 4.783686 4.855186 1.340973 3.891147 4.335986 2.631278 0.000000 4.838631 5.039839 4.293093 3.800622 3.764311 2.680647 3.833298 4.696357 4.046338 6.146372 4.239272 4.678604 3.995080 3.528696 3.488115 3.509088 2.440317 4.248311 4.229829 1.210653 1.421637 0.000000 2.125246 1.097691 2.170516 2.717232 4.139928 7.666579 2.712852 3.392682 2.631209 2.645709 4.892499 4.601417 5.094381 8.615850 7.702481 8.447166 3.537313 3.953179 5.029476 6.348822 4.143824 5.302377 0.000000 2.076000 1.092602 2.121980 3.332876 4.512678 8.214639 3.371330 2.669112 3.888210 2.520525 4.775534 4.037352 5.752140 9.378402 8.156709 8.754552 4.093521 5.248242 6.057258 6.992005 5.032646 6.040448 1.751423 0.000000 2.141266 2.681651 3.392847 3.653814 4.882065 6.713643 1.102736 4.466415 3.336330 2.734079 5.677210 5.508468 5.624583 7.449115 7.231083 7.420894 2.144158 4.342389 5.410556 5.252138 2.632732 4.048489 2.465497 3.649261 0.000000 2.071695 3.368140 4.107717 4.749556 5.817520 6.947233 1.095950 4.750871 4.831173 2.485388 6.266877 5.810917 6.734473 7.784319 7.671115 7.301048 2.112014 5.882935 6.768056 5.520820 3.097211 4.366148 3.626674 4.125085 1.763650 0.000000 3.049757 2.651676 2.130902 3.408737 3.880348 7.027386 4.053929 1.084774 4.639199 4.106281 3.384546 2.155765 5.301617 8.424021 6.858424 7.247347 3.945728 5.838654 6.123312 6.069760 4.911196 5.419997 3.698006 2.508423 4.777462 4.750630 0.000000 3.562609 2.704011 2.762463 2.173189 3.433138 6.745214 3.364957 4.130409 1.081493 4.329425 4.634216 4.906336 3.878644 7.457060 6.717152 7.815547 3.651064 2.120600 3.397391 5.493559 3.568165 4.544416 1.969057 3.549930 2.720347 4.367278 4.843350 0.000000 2.107483 3.352273 4.613980 5.656154 6.884413 8.906049 2.632034 5.117362 5.835203 1.091872 7.199088 6.436290 8.000328 9.875459 9.442927 9.193526 3.951209 7.093171 8.095361 7.510925 5.108434 6.377919 3.657364 3.526621 3.106629 2.240461 4.727599 5.179977 0.000000 2.107384 2.615734 4.001874 5.202257 6.455569 9.369717 3.354162 4.440117 5.512108 1.091972 6.704297 5.844931 7.665385 10.461133 9.628581 9.741093 4.575249 6.863008 7.843478 8.028809 5.731845 6.945411 2.985086 2.260940 3.727807 3.505750 3.944471 4.884243 1.769740 0.000000 2.147634 2.683134 4.147595 4.966314 6.353595 9.023292 2.687555 5.033009 4.826715 1.103216 6.944847 6.391408 7.340833 9.906394 9.397265 9.589532 4.147702 6.052929 7.222431 7.592906 5.049231 6.417364 2.462753 2.905883 2.561769 2.836503 4.890038 3.974070 1.777605 1.776530 0.000000 6.170932 5.432405 3.917820 3.446223 2.161670 4.683287 6.297420 3.404145 4.606026 7.568109 1.084803 2.143225 2.680321 5.995931 3.658867 5.235134 5.296018 4.841397 4.049425 4.510738 5.196240 4.681704 5.961443 5.839276 6.658201 7.211990 4.288299 5.566078 8.230145 7.764859 8.020939 0.000000 5.166438 4.649599 3.413648 3.909625 3.409665 6.020252 5.732442 2.162930 5.330989 6.431525 2.138099 1.084338 4.602718 7.515868 5.459744 6.118369 5.003495 6.120670 5.820603 5.545917 5.519610 5.389963 5.529292 4.728895 6.402240 6.492412 2.470110 5.974345 7.001959 6.392410 7.146025 2.479363 0.000000 6.857580 6.007732 4.627955 3.443391 2.159462 4.368680 6.629478 4.831125 3.881954 8.204423 2.674047 4.042720 1.084455 5.177863 3.235836 5.523327 5.656881 3.401799 2.139363 4.232685 5.038728 4.464667 6.123745 6.647537 6.612980 7.614651 5.895305 4.963038 8.927560 8.594171 8.359477 2.427905 4.740968 0.000000 8.413627 8.651262 7.796225 7.072967 6.570259 2.187487 7.285271 8.033969 7.150647 9.659954 6.881106 7.610557 6.164584 1.093159 3.485992 2.769876 5.938847 6.779191 6.274078 2.733765 4.860706 3.620704 8.844150 9.647563 7.396402 7.581442 8.778408 7.755597 9.748622 10.510498 9.884831 6.800020 8.087542 6.086535 0.000000 8.339558 8.278314 7.300375 6.313905 5.671758 2.187055 7.308316 7.657979 6.262667 9.630085 6.174007 7.154135 4.947965 1.093117 2.770154 3.485806 6.015511 5.625046 4.921383 2.726847 4.805144 3.601406 8.347445 9.267171 7.257371 7.828572 8.552046 6.989866 9.909335 10.432151 9.748608 6.030421 7.746580 4.790343 1.773962 0.000000 9.331149 9.352117 8.270301 7.429172 6.606089 2.171855 8.374561 8.359855 7.637373 10.680190 6.759002 7.658064 6.004494 1.093939 2.754567 2.758563 6.957482 7.122314 6.285381 3.408788 5.915163 4.544109 9.585570 10.281320 8.510842 8.819725 9.177703 8.420194 10.886931 11.433925 10.943207 6.406112 8.031141 5.618283 1.773773 1.773694 0.000000 8.661677 8.405638 7.073510 6.261774 5.103553 2.171919 8.064441 6.900332 6.816508 10.112034 4.912502 5.897470 4.578264 2.763056 1.094098 2.746657 6.635899 6.421295 5.327663 3.402190 5.845663 4.511889 8.770230 9.172328 8.319755 8.715686 7.751306 7.774014 10.489491 10.669480 10.480682 4.283163 6.130834 3.901334 3.765534 3.119645 2.541022 0.000000 7.075101 6.773755 5.403558 4.736029 3.586487 2.189654 6.648557 5.138065 5.518122 8.540671 3.225671 4.134847 3.448470 3.485807 1.092929 2.779874 5.263589 5.408611 4.463509 2.711059 4.698674 3.538114 7.231681 7.481835 6.995911 7.365695 5.981057 6.467149 8.966680 9.023463 8.971369 2.716272 4.412812 2.972138 4.340523 3.774155 3.765039 1.775192 0.000000 7.596302 7.199408 5.913737 4.884341 3.806363 2.187433 6.966142 6.034407 5.227179 9.010297 4.060346 5.224769 3.039514 2.760514 1.092216 3.484425 5.655885 4.695905 3.597656 2.727679 4.732875 3.572972 7.402895 8.025895 7.045688 7.729682 7.005797 6.197270 9.488337 9.601354 9.239674 3.680597 5.751874 2.531327 3.772487 2.556449 3.091007 1.774656 1.771335 0.000000 7.761531 8.172304 7.271832 6.955715 6.414276 2.187775 6.875717 7.102858 7.491783 9.055703 6.230620 6.592792 6.490904 2.773262 3.486200 1.093134 5.423333 7.537363 7.057353 2.727351 4.842964 3.596785 8.671439 9.025918 7.361855 7.069789 7.630613 8.101576 9.038924 9.775411 9.555784 6.124925 6.780576 6.385620 2.568916 3.781031 3.113375 3.755065 3.785971 4.338753 0.000000 7.207172 7.424252 6.332587 6.100403 5.369497 2.187113 6.619053 5.913704 6.913938 8.596152 4.876231 5.182153 5.613939 3.485563 2.766924 1.093112 5.142281 7.077738 6.475603 2.724090 4.787976 3.572184 8.048771 8.154001 7.212099 6.988367 6.440268 7.635608 8.714373 9.160278 9.192553 4.654003 5.221405 5.410471 3.779982 4.338568 3.761897 3.089440 2.573595 3.779138 1.773930 0.000000 8.761492 8.923712 7.791744 7.326412 6.460438 2.171935 8.030610 7.488858 7.960624 10.150046 6.111972 6.668868 6.341923 2.755041 2.757919 1.093949 6.533492 7.845160 7.064506 3.406162 5.905063 4.528825 9.435558 9.715371 8.486506 8.394048 8.108740 8.742694 10.269876 10.777374 10.656836 5.701549 6.738776 5.943751 3.103041 3.761035 2.535895 2.526502 3.123649 3.757411 1.773922 1.774007 0.000000 2.744154 3.424367 3.098808 3.612892 4.119968 4.853001 2.209006 3.207906 4.307477 4.059794 4.183223 3.775205 5.118492 6.015652 5.424571 5.056142 1.086255 5.238709 5.601832 3.587449 2.102642 2.686087 4.105391 4.228027 3.094720 2.623684 3.458817 4.458295 4.182105 4.727378 4.690279 4.969892 4.346704 5.766268 6.029563 6.245880 6.934878 6.419896 4.960745 5.684913 5.049159 4.560832 6.117751 0.000000 5.854442 5.050628 4.644871 3.419985 3.891725 6.421313 5.326200 5.833202 2.132346 6.700785 5.309834 6.121875 3.388908 6.725354 6.227426 7.801869 5.148194 1.084442 2.166433 5.467332 4.419544 4.868641 4.394712 5.882475 4.599922 6.254692 6.760228 2.434482 7.463284 7.313516 6.282718 5.907286 7.188581 4.293628 7.149595 5.961440 7.585628 7.156529 6.303521 5.395760 8.182812 7.901232 8.560786 5.973646 0.000000 7.192072 6.335929 5.355120 3.923024 3.417990 5.297344 6.701612 6.117586 3.401078 8.337225 4.602625 5.817586 2.137295 5.549005 4.633787 6.758467 6.003162 2.169253 1.084229 4.881285 5.097570 4.841365 6.027122 7.119427 6.285368 7.670622 7.188198 4.281580 9.082481 8.880076 8.173144 4.741646 6.733509 2.473192 6.287833 4.743348 6.148991 5.348037 4.827747 3.617620 7.391802 6.932812 7.266756 6.527803 2.490944 0.000000 3.971361 4.182925 3.993185 3.511765 4.173577 4.680001 2.724072 4.933216 3.104299 4.993852 5.098719 5.424848 4.438295 5.182062 5.328193 5.626531 2.100473 3.454585 4.130764 3.256601 1.087880 2.140589 4.058470 5.274734 2.390905 3.315220 5.600384 3.136305 5.290121 5.925968 4.940476 5.828256 6.342885 5.268870 5.144974 4.910886 6.260121 6.384875 5.377051 5.080409 5.594875 5.693709 6.634425 3.065561 3.741459 4.800322 0.000000 C21H25N C1 1 C1 1 C1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 266.23139999999984 AuxInfo=1/0/N:2;3;4;5;6;7;8;9;10;11;12;13;14;15;16;17;18;19;20;21;22;1;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/rA:47nN0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:3.4583,-1.4033,.2068;3.4349,.08,.1947;2.1594,.7024,.7299;1.2124,1.3807,-.1052;.0176,1.9115,.4903;-3.8108,-.9636,.1302;2.4914,-1.9948,-.7394;1.9091,.6101,2.0855;1.365,1.5187,-1.5132;4.8114,-1.843,-.1583;-.1959,1.7717,1.8856;.7363,1.1357,2.6691;-.951,2.5503,-.3307;-4.7979,-1.1493,-1.0423;-3.8962,.4881,.6543;-4.1632,-1.9462,1.2681;1.0639,-1.8907,-.2952;.4051,2.1364,-2.281;-.7667,2.6613,-1.6872;-2.4399,-1.2251,-.3327;.052,-1.5574,-1.1095;-1.2973,-1.4139,-.6855;3.6651,.4499,-.8129;4.2581,.4067,.8345;2.6056,-1.5693,-1.7503;2.7453,-3.0582,-.8154;2.6323,.1111,2.7218;2.2422,1.115,-2.0003;4.8713,-2.9326,-.1196;5.5377,-1.435,.5477;5.1007,-1.5186,-1.1722;-1.1065,2.1722,2.3182;.5772,1.0319,3.7367;-1.8484,2.9395,.1375;-4.7592,-2.1716,-1.4275;-4.566,-.4621,-1.8602;-5.8174,-.9476,-.7007;-4.9081,.6859,1.0203;-3.1924,.6505,1.4744;-3.6686,1.2025,-.1399;-4.1073,-2.9815,.9217;-3.4794,-1.8262,2.1125;-5.1816,-1.7536,1.6181;.8635,-2.1123,.7492;.5453,2.2182,-3.3532;-1.5161,3.1434,-2.3048;.2621,-1.3127,-2.1485; 0.4118085 0.1970815 0.1760431 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= 655 655 655 655 655 MxSgAt= 47 MxSgA2= 47. NPDir=0 NMtPBC= 1 NCelOv= 1 NCel= 1 NClECP= 1 NCelD= 1 NCelK= 1 NCelE2= 1 NClLst= 1 CellRange= 0.0. One-electron integrals computed using PRISM. One-electron integral symmetry used in STVInt NBasis= 634 RedAO= T EigKep= 1.01D-06 NBF= 634 NBsUse= 629 1.00D-06 EigRej= 5.58D-07 NBFU= 629 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= 655 655 655 655 655 MxSgAt= 47 MxSgA2= 47. 1 2.45916671e-01 8.61176202e-02 -2.33336601e-01 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 7 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 -0.001150228 -0.002825395 -0.003990102 -0.002911083 0.008860875 0.000014868 -0.001294989 0.001114304 0.001283356 -0.003761112 -0.000821749 0.002446705 0.004250673 0.001622319 -0.002336939 -0.002778526 -0.000356463 0.000905797 0.004514732 -0.006054675 0.003704847 -0.002009208 -0.001380601 -0.004909083 -0.004432594 -0.002225407 0.002094610 -0.008778553 -0.004254033 -0.001297344 0.004018754 0.002568091 -0.001690100 -0.000761331 -0.002012996 -0.004562913 0.003852481 0.001702543 -0.002812114 0.004207014 -0.001849298 0.003643412 0.000791785 0.006120241 -0.001261837 0.001350254 -0.002426781 -0.005312302 -0.000207868 -0.002870809 -0.000694909 0.000679980 0.001539440 0.004738407 0.002363496 0.002647075 0.003628991 0.000931291 0.000028261 0.000253197 0.005103017 0.001334152 0.001366032 -0.003347041 -0.001031964 0.002022018 0.000330922 -0.000773724 0.000804764 -0.000421388 -0.000026362 -0.000868597 -0.000698247 0.001311276 0.000982176 -0.000509514 -0.001006658 -0.000234395 -0.000825515 -0.000615859 -0.000239204 -0.000515052 -0.000538611 -0.000215675 0.000189860 -0.001844845 0.000063749 -0.000956118 0.000980397 -0.001022613 0.000388805 0.001407061 0.003237116 0.000997328 0.000361661 -0.000100397 0.000222329 -0.000356735 -0.001666257 0.000778819 -0.000025932 -0.000651544 -0.000729565 -0.001891436 -0.000081503 -0.000699502 0.001108241 0.001413157 0.001703866 0.000566164 -0.001027056 0.001961047 -0.000202715 -0.000626278 -0.001353180 0.000045270 -0.000599081 -0.000581303 0.000238927 0.001459845 -0.000295314 -0.001736899 0.000781103 -0.001386744 0.000901500 -0.000730005 0.001882321 0.000579110 -0.000302605 -0.000572050 0.000600349 -0.000924968 -0.000130177 0.000254005 0.001577747 0.000994874 0.000733833 0.000912327 -0.000407443 0.000504852 0.000823597 0.008860875 0.002328959 (Enter /usr/local/gaussian/gaussian16/g16/l716.exe) Closed 1 1 1 -870.248801375620 -870.250793972175 -0.001992596555 -870.250797019743 -0.000003047567 -870.250809522484 -0.000012502742 -870.250811616451 -0.000002093966 -870.250811836118 -0.000000219667 -870.250811848252 -0.000000012134 -870.250811850258 -0.000000002007 -870.250811850318 -0.000000000060 -870.250811850362 -0.000000000044 -870.250811850344 0.000000000019 -870.250811850 11 8.661226432828e+02 -5.539035087500e+03 2.042777018479e+03 Using DIIS extrapolation, IDIIS= 1040. NGot= 4246732800 LenX= 4245848878 LenY= 4245417886 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) PT263822.700S Thu Dec 8 22:08:59 2022 Mulliken charges: 1 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 N C C C C C C C C C C C C C C C C C C C C C H H H H H H H H H H H H H H H H H H H H H H H H H 0.031916 -0.854086 0.739521 0.851536 0.555018 0.448990 -0.607018 -0.392818 -0.589427 -0.278483 -0.317948 -0.415412 -0.176478 -0.596056 -0.441427 -0.692206 -0.251191 -0.570603 -0.414776 0.156139 -0.100658 -0.012959 0.152049 0.182925 0.154629 0.182635 0.153047 0.158378 0.146220 0.150386 0.133687 0.153890 0.159478 0.155715 0.158446 0.157169 0.157584 0.155548 0.143444 0.154943 0.159017 0.151570 0.156816 0.164260 0.159215 0.159433 0.167939 -0.00000 -14.31046 -10.20268 -10.19203 -10.19091 -10.18678 -10.18497 -10.18377 -10.18305 -10.17813 -10.17630 -10.17410 -10.17395 -10.17375 -10.17310 -10.17302 -10.17271 -10.17139 -10.16634 -10.16409 -10.15504 -10.15503 -10.15404 -0.92246 -0.87680 -0.83066 -0.82521 -0.80507 -0.78441 -0.74401 -0.74253 -0.73277 -0.69273 -0.68664 -0.68372 -0.68324 -0.62697 -0.61699 -0.61485 -0.59487 -0.57473 -0.56149 -0.51682 -0.51088 -0.50052 -0.49429 -0.47354 -0.46977 -0.46408 -0.45212 -0.44399 -0.43785 -0.43748 -0.42828 -0.42365 -0.41632 -0.40142 -0.39872 -0.39067 -0.38874 -0.38727 -0.38090 -0.37199 -0.36815 -0.36405 -0.36234 -0.36001 -0.35158 -0.34181 -0.33826 -0.33676 -0.33125 -0.32492 -0.31821 -0.28881 -0.26596 -0.25131 -0.23111 -0.22526 -0.21864 -0.05298 -0.02381 -0.02166 0.00441 0.00967 0.01423 0.01593 0.02192 0.02824 0.03226 0.03413 0.03685 0.04201 0.04472 0.04973 0.05166 0.05405 0.05705 0.05767 0.06375 0.06579 0.07083 0.07353 0.07654 0.07988 0.08133 0.08298 0.08543 0.09191 0.09569 0.09709 0.10256 0.10283 0.10809 0.11378 0.11550 0.11747 0.12053 0.12443 0.12852 0.13087 0.13151 0.13546 0.14074 0.14351 0.14708 0.14978 0.15541 0.15661 0.16068 0.16261 0.16679 0.17105 0.17231 0.17541 0.17833 0.18029 0.18252 0.18799 0.19007 0.19492 0.19671 0.19706 0.20178 0.20441 0.20615 0.21018 0.21257 0.21518 0.21629 0.21772 0.21962 0.22190 0.22300 0.22419 0.22557 0.22918 0.23229 0.23801 0.24119 0.24350 0.24452 0.24570 0.24692 0.24940 0.25010 0.25327 0.25677 0.25895 0.25987 0.26372 0.26615 0.26977 0.27138 0.27228 0.27487 0.27985 0.28394 0.28520 0.28658 0.28796 0.29212 0.29320 0.29632 0.29779 0.30180 0.30366 0.30749 0.30928 0.31381 0.31806 0.32150 0.32247 0.32679 0.33093 0.33309 0.33692 0.34033 0.34648 0.34805 0.35604 0.35860 0.36508 0.36814 0.37213 0.38181 0.38515 0.38917 0.40546 0.40618 0.41305 0.42586 0.44261 0.44701 0.45672 0.46729 0.47413 0.47903 0.48389 0.48803 0.50105 0.50666 0.50893 0.51305 0.52221 0.52912 0.53917 0.54589 0.54748 0.55440 0.56014 0.56256 0.56675 0.57638 0.57819 0.58391 0.58672 0.58954 0.59800 0.60058 0.60441 0.60923 0.61385 0.62042 0.63079 0.63620 0.63960 0.64955 0.65110 0.65920 0.66409 0.66590 0.67126 0.67864 0.67939 0.68694 0.69233 0.69317 0.69727 0.70364 0.70471 0.70737 0.71068 0.71411 0.71871 0.72139 0.72583 0.72623 0.72810 0.73017 0.73786 0.74116 0.74409 0.74835 0.75500 0.76242 0.76373 0.76910 0.77565 0.77703 0.77823 0.78334 0.78610 0.78876 0.79582 0.80056 0.80292 0.81314 0.82561 0.83056 0.83237 0.83617 0.84730 0.85481 0.85799 0.86032 0.86667 0.87095 0.87743 0.89109 0.89434 0.90014 0.90812 0.91676 0.92992 0.93174 0.93913 0.95129 0.96888 0.97397 0.98307 0.99347 0.99460 0.99871 1.00346 1.01026 1.02134 1.02722 1.04227 1.05042 1.06356 1.06576 1.07459 1.08083 1.09081 1.09886 1.10749 1.11438 1.12099 1.12596 1.13732 1.14902 1.15492 1.16484 1.17257 1.18078 1.18969 1.19843 1.20099 1.20880 1.24140 1.25778 1.26673 1.28074 1.29254 1.29613 1.31160 1.32803 1.34605 1.36071 1.38110 1.38572 1.42085 1.43345 1.44588 1.45460 1.45681 1.46424 1.46845 1.47600 1.48156 1.48771 1.49659 1.49922 1.50429 1.50935 1.51606 1.51990 1.53070 1.54105 1.54545 1.55424 1.55517 1.56229 1.56617 1.57204 1.58092 1.58832 1.59335 1.59948 1.60846 1.61086 1.61582 1.62527 1.63029 1.63583 1.64153 1.64799 1.65589 1.66256 1.66542 1.66884 1.67442 1.68384 1.69057 1.69655 1.70361 1.71144 1.72693 1.74049 1.74634 1.74884 1.75270 1.75734 1.76173 1.76898 1.77193 1.77933 1.78305 1.78694 1.79772 1.80823 1.81640 1.82833 1.83662 1.84042 1.84649 1.86131 1.86816 1.87474 1.89789 1.90342 1.91633 1.92256 1.93047 1.94010 1.94126 1.94876 1.95239 1.96204 1.96416 1.97568 1.97741 1.98503 1.99226 1.99895 2.00007 2.00686 2.01273 2.02366 2.03117 2.04289 2.06193 2.07063 2.09060 2.10652 2.11844 2.12301 2.12516 2.12687 2.14072 2.15458 2.16456 2.17544 2.18477 2.19706 2.20709 2.21419 2.21576 2.22466 2.23741 2.25241 2.25414 2.27997 2.28453 2.30923 2.31767 2.33775 2.36795 2.37907 2.39969 2.41513 2.41890 2.43096 2.43702 2.43922 2.44914 2.45443 2.46302 2.48134 2.49254 2.50168 2.50583 2.50617 2.52773 2.52938 2.53909 2.54488 2.55071 2.55604 2.55962 2.56180 2.57138 2.57643 2.58766 2.59170 2.61963 2.62518 2.63314 2.64908 2.65206 2.65616 2.66455 2.67549 2.68757 2.70295 2.71599 2.72427 2.73034 2.73647 2.74186 2.74989 2.75622 2.75926 2.76943 2.77331 2.77367 2.77923 2.78620 2.79126 2.80595 2.80964 2.83478 2.83673 2.83960 2.86103 2.86181 2.86913 2.87680 2.88454 2.90676 2.91090 2.91936 2.92555 2.93315 2.93414 2.94414 2.95079 2.95955 2.96885 2.97950 2.99039 3.00470 3.01974 3.03947 3.05150 3.06076 3.07534 3.09499 3.10609 3.11192 3.13588 3.14047 3.15043 3.16567 3.20455 3.20888 3.22204 3.23024 3.25029 3.28178 3.28941 3.33482 3.37292 3.40268 3.42887 3.43119 3.49918 3.51759 3.54881 3.56166 3.56834 3.58672 3.60890 3.64227 3.65172 3.68703 3.71896 3.73193 3.77690 3.78444 3.80208 3.81403 3.82027 3.83018 3.83594 3.83867 3.84282 3.85196 3.87293 3.87639 4.01061 4.04547 4.05487 4.07358 4.13903 4.20568 4.22318 4.29019 4.29582 4.29916 4.35183 4.40651 4.46097 4.83078 4.84198 4.85452 4.87229 23.53757 23.60335 23.80685 23.83983 23.85474 23.87951 23.94947 23.95314 23.96757 23.97382 23.97973 23.98517 24.00216 24.01241 24.02537 24.11863 24.13586 24.19388 24.20283 24.24105 25.13491 35.54251 1-A. Mulliken charges: 1 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 N C C C C C C C C C C C C C C C C C C C C C H H H H H H H H H H H H H H H H H H H H H H H H H 0.009305 -0.806404 0.745463 0.855923 0.439925 0.415010 -0.628715 -0.340012 -0.676248 -0.273401 -0.254708 -0.425021 -0.192576 -0.643186 -0.415692 -0.650821 -0.216936 -0.550491 -0.383466 0.133519 -0.130928 0.019036 0.154328 0.182649 0.156956 0.186054 0.155830 0.156639 0.149343 0.150625 0.136272 0.157101 0.163008 0.156692 0.159586 0.155818 0.158396 0.156531 0.152047 0.152571 0.159986 0.153683 0.157608 0.164270 0.161297 0.162153 0.170982 -0.00000 2.19851347e-01 1.68966339e-01 -2.94639827e-01 ./ancestor::cml:module[@dictRef='cc:finalization']/cml:molecule[@id='mol9999'] 0.5588 0.4295 -0.7489 1.0284 -112.0777 -139.5819 -125.7477 -8.4920 -7.0056 -0.4441 13.7248 -13.7795 0.0547 -8.4920 -7.0056 -0.4441 6.0224 -23.2787 1.1207 -7.8495 -11.9333 0.4315 6.9766 12.2806 -7.6542 8.1120 -5673.7849 -2397.2734 -1360.1493 -57.0744 -50.8676 -119.7972 -11.3229 -7.8894 -29.9060 -1383.0431 -1273.4023 -635.4344 10.1567 -17.1898 -25.6223 (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A) (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A) (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A) (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(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 -870.2508119 2.149E-9 3.294E-5 9.8135856,-10.0089383,0.1953527,6.7026852,-5.332808,0.1028664 C01 [X(C21H25N1)] -0.2185787 0.1639088 0.2984194 0.000040268 -0.000022627 0.000035563 0.000018551 -0.000038928 0.000096555 0.000026994 -0.000083176 -0.000037064 0.000026000 -0.000066171 0.000049815 -0.000002637 -0.000014023 0.000013741 0.000042738 0.000007244 -0.000029856 -0.000096790 0.000104402 -0.000116432 -0.000002249 0.000035556 0.000071797 0.000013384 0.000031240 0.000000763 0.000119681 0.000016760 -0.000073128 -0.000052133 0.000001876 -0.000006143 0.000027417 0.000009220 0.000058042 -0.000044493 -0.000030349 0.000057175 -0.000006342 -0.000007119 -0.000017391 -0.000004135 -0.000065952 -0.000008715 0.000009768 -0.000009364 -0.000016422 -0.000016563 -0.000019327 0.000024202 -0.000015701 -0.000007392 -0.000054623 -0.000050291 0.000007057 -0.000040108 -0.000019695 0.000023966 -0.000008306 -0.000063628 0.000002565 -0.000004388 0.000031189 0.000049703 -0.000000818 -0.000016523 0.000056217 -0.000004820 0.000020929 -0.000048022 -0.000017907 0.000012405 0.000007947 0.000032615 0.000017308 0.000015731 0.000008636 -0.000004657 -0.000004776 0.000007758 0.000020201 0.000009708 -0.000005294 0.000017272 0.000010811 -0.000002544 0.000023043 0.000011548 0.000022457 -0.000010313 -0.000000256 0.000024850 -0.000001865 -0.000007966 0.000007408 -0.000007683 0.000010664 0.000011813 -0.000018894 0.000026677 -0.000003982 -0.000009635 0.000000257 -0.000013281 -0.000004083 -0.000001142 -0.000005042 -0.000015073 -0.000001775 -0.000015367 -0.000004936 -0.000010167 0.000009258 0.000014354 -0.000036883 0.000008887 0.000003956 0.000005662 0.000015431 0.000002973 0.000012716 0.000009015 -0.000008405 0.000015115 0.000010694 -0.000006123 0.000013549 0.000003390 0.000009396 0.000026506 -0.000041314 0.000002957 -0.000004295 -0.000014277 -0.000006230 -0.000014253 -0.000004393 -0.000011707 -0.000018732 -0.000038247 266.23139999999984 AuxInfo=1/0/N:2;3;4;5;6;7;8;9;10;11;12;13;14;15;16;17;18;19;20;21;22;1;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/rA:47nN0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:-3.4111,-1.5005,-.1671;-3.4144,-.017,-.1499;-2.1584,.6303,-.7012;-1.2118,1.3229,.1226;-.0357,1.8775,-.4882;3.8492,-.9284,-.1942;-2.4198,-2.0775,.7627;-1.9262,.5473,-2.0607;-1.3465,1.4532,1.5332;-4.7504,-1.9661,.2158;.16,1.7464,-1.8869;-.7718,1.0962,-2.6592;.9329,2.5311,.3211;4.8565,-1.1002,.9631;3.9006,.5263,-.7141;4.2029,-1.9005,-1.3408;-1.0011,-1.9459,.2983;-.3868,2.0857,2.2893;.7664,2.6339,1.6805;2.4902,-1.2166,.2875;.0163,-1.5969,1.0991;1.3565,-1.4274,.6561;-3.6367,.345,.8623;-4.2526,.2967,-.7765;-2.527,-1.6577,1.7768;-2.6532,-3.1457,.8384;-2.6494,.0374,-2.6882;-2.2089,1.032,2.0314;-4.791,-3.0564,.174;-5.4943,-1.569,-.478;-5.0308,-1.6506,1.2351;1.0568,2.1649,-2.3312;-.6264,.999,-3.7294;1.8162,2.9382,-.1586;4.842,-2.1243,1.345;4.6241,-.4201,1.7868;5.8671,-.8787,.6075;4.9033,.7438,-1.0941;3.182,.6787,-1.5234;3.6716,1.2337,.0859;4.1709,-2.9378,-.9975;3.5048,-1.7901,-2.1747;5.2124,-1.6882,-1.7048;-.8119,-2.1602,-.7497;-.5129,2.1612,3.3637;1.5159,3.1276,2.289;-.183,-1.3597,2.1419; Gaussian 16 GINC-CIBELES2-317 APULGAR Optimization terbinafine CONF22 water EM64L-G16RevC.01 135 C1[X(C21H25N)] RB3LYP 6-311+G(d,p) Freq #P Geom=AllCheck Guess=TCheck SCRF=Check GenChk RB3LYP/6-311+G(d,p) Freq 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 266.23139999999984 AuxInfo=1/0/N:2;3;4;5;6;7;8;9;10;11;12;13;14;15;16;17;18;19;20;21;22;1;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/rA:47nN0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:-3.4111,-1.5005,-.1671;-3.4144,-.017,-.1499;-2.1584,.6303,-.7012;-1.2118,1.3229,.1226;-.0357,1.8775,-.4882;3.8492,-.9284,-.1942;-2.4198,-2.0775,.7627;-1.9262,.5473,-2.0607;-1.3465,1.4532,1.5332;-4.7504,-1.9661,.2158;.16,1.7464,-1.8869;-.7718,1.0962,-2.6592;.9329,2.5311,.3211;4.8565,-1.1002,.9631;3.9006,.5263,-.7141;4.2029,-1.9005,-1.3408;-1.0011,-1.9459,.2983;-.3868,2.0857,2.2893;.7664,2.6339,1.6805;2.4902,-1.2166,.2875;.0163,-1.5969,1.0991;1.3565,-1.4274,.6561;-3.6367,.3451,.8623;-4.2526,.2967,-.7765;-2.527,-1.6577,1.7768;-2.6532,-3.1457,.8384;-2.6494,.0374,-2.6882;-2.2089,1.032,2.0314;-4.791,-3.0564,.174;-5.4943,-1.569,-.478;-5.0308,-1.6506,1.2351;1.0568,2.1649,-2.3312;-.6264,.999,-3.7294;1.8162,2.9382,-.1586;4.842,-2.1243,1.345;4.6241,-.4201,1.7868;5.8671,-.8787,.6075;4.9033,.7438,-1.0941;3.182,.6787,-1.5234;3.6716,1.2337,.0859;4.1709,-2.9378,-.9975;3.5048,-1.7901,-2.1747;5.2124,-1.6882,-1.7048;-.8119,-2.1602,-.7497;-.5129,2.1612,3.3637;1.5159,3.1276,2.289;-.183,-1.3597,2.1419; Optimization terbinafine CONF22 water Redundant internal coordinates found in file. (old form). 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 14 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 14.0030740 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 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 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4.5500000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 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 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/G2-G4/terbinafine/gaussian/water/CONF22/opt-b3lyp-pople.chk" Berny optimization. R1 R2 R3 R4 R5 R6 R7 R8 R9 R10 R11 R12 R13 R14 R15 R16 R17 R18 R19 R20 R21 R22 R23 R24 R25 R26 R27 R28 R29 R30 R31 R32 R33 R34 R35 R36 R37 R38 R39 R40 R41 R42 R43 R44 R45 R46 R47 R48 1 1 1 2 2 2 3 3 4 4 5 5 6 6 6 6 7 7 7 8 8 9 9 10 10 10 11 11 12 13 13 14 14 14 15 15 15 16 16 16 17 17 18 18 19 20 21 21 2 7 10 3 23 24 4 8 5 9 11 13 14 15 16 20 17 25 26 12 27 18 28 29 30 31 12 32 33 19 34 35 36 37 38 39 40 41 42 43 21 44 19 45 46 22 22 47 1.4836 1.4766 1.4688 1.5168 1.0977 1.0926 1.4333 1.3817 1.4366 1.423 1.4184 1.4214 1.5439 1.5457 1.5442 1.4704 1.4986 1.1027 1.0959 1.4115 1.0848 1.3757 1.0815 1.0919 1.092 1.1032 1.3738 1.0848 1.0843 1.3734 1.0845 1.0932 1.0931 1.0939 1.0941 1.0929 1.0922 1.0931 1.0931 1.0939 1.341 1.0863 1.4146 1.0844 1.0842 1.2107 1.4216 1.0879 calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|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 2 2 7 1 1 1 3 3 23 2 2 4 3 3 5 4 4 11 14 14 14 15 15 16 1 1 1 17 17 25 3 3 12 4 4 18 1 1 1 29 29 30 5 5 12 8 8 11 5 5 19 6 6 6 35 35 36 6 6 6 38 38 39 6 6 6 41 41 42 7 7 21 9 9 19 13 13 18 17 17 22 1 1 1 2 2 2 2 2 2 3 3 3 4 4 4 5 5 5 6 6 6 6 6 6 7 7 7 7 7 7 8 8 8 9 9 9 10 10 10 10 10 10 11 11 11 12 12 12 13 13 13 14 14 14 14 14 14 15 15 15 15 15 15 16 16 16 16 16 16 17 17 17 18 18 18 19 19 19 21 21 21 7 10 10 3 23 24 23 24 24 4 8 8 5 9 9 11 13 13 15 16 20 16 20 20 17 25 26 25 26 26 12 27 27 18 28 28 29 30 31 30 31 31 12 32 32 11 33 33 19 34 34 35 36 37 36 37 37 38 39 40 39 40 40 41 42 43 42 43 43 21 44 44 19 45 45 18 46 46 22 47 47 112.6408 108.1722 108.912 114.8765 109.9395 106.3936 111.2247 107.7111 106.1892 122.9712 118.1099 118.9186 118.8729 123.4699 117.617 119.77 119.5595 120.66 109.5806 109.7035 109.6122 109.5789 108.987 109.3626 113.9555 111.4108 106.3414 110.0978 107.9775 106.6691 122.0955 119.0387 118.8639 121.3942 119.768 118.8267 109.9059 109.892 112.4583 108.2658 108.1538 108.0509 120.2997 118.8315 120.8685 120.0242 119.5605 120.4152 121.023 118.4106 120.5624 110.9433 110.9115 109.6644 108.4674 108.3908 108.3867 109.5358 111.0023 110.8684 108.5231 108.5269 108.3143 110.9426 110.8912 109.6455 108.4668 108.4053 108.4144 123.7803 116.5275 119.6895 120.6839 119.6996 119.6159 119.7209 120.3829 119.8953 124.0693 119.3553 116.4469 calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically A82 A83 A84 A85 6 20 6 20 20 22 20 22 22 21 22 21 5 5 5 5 -1 -1 -2 -2 178.2297 calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically 177.2115 179.1104 181.5564 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 7 7 7 10 10 10 2 2 2 10 10 10 2 2 2 7 7 7 1 1 23 23 24 24 2 2 8 8 2 2 4 4 3 3 9 9 3 3 5 5 4 4 13 13 4 4 11 11 15 15 15 16 16 16 20 20 20 14 14 14 16 16 16 20 20 20 14 14 14 15 15 15 20 20 20 14 14 15 15 16 16 1 1 25 25 26 26 3 3 27 27 4 4 28 28 5 5 32 32 5 5 34 34 7 7 44 44 9 9 45 45 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 2 2 2 2 3 3 3 3 3 3 3 3 4 4 4 4 4 4 4 4 5 5 5 5 5 5 5 5 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 7 7 7 7 7 7 8 8 8 8 9 9 9 9 11 11 11 11 13 13 13 13 17 17 17 17 18 18 18 18 2 2 2 2 2 2 7 7 7 7 7 7 10 10 10 10 10 10 3 3 3 3 3 3 4 4 4 4 8 8 8 8 5 5 5 5 9 9 9 9 11 11 11 11 13 13 13 13 14 14 14 14 14 14 14 14 14 15 15 15 15 15 15 15 15 15 16 16 16 16 16 16 16 16 16 21 21 21 21 21 21 17 17 17 17 17 17 12 12 12 12 18 18 18 18 12 12 12 12 19 19 19 19 21 21 21 21 19 19 19 19 3 23 24 3 23 24 17 25 26 17 25 26 29 30 31 29 30 31 4 8 4 8 4 8 5 9 5 9 12 27 12 27 11 13 11 13 18 28 18 28 12 32 12 32 19 34 19 34 35 36 37 35 36 37 35 36 37 38 39 40 38 39 40 38 39 40 41 42 43 41 42 43 41 42 43 17 47 17 47 17 47 21 44 21 44 21 44 11 33 11 33 19 45 19 45 8 33 8 33 18 46 18 46 22 47 22 47 13 46 13 46 67.3711 -58.9787 -173.5538 -172.1964 61.4538 -53.1213 -73.5824 51.7347 167.5868 166.4111 -68.2718 47.5803 177.7673 58.7209 -61.6858 -59.4986 -178.545 61.0483 -109.9302 70.2683 15.7557 -164.0458 131.7326 -48.0688 178.6032 0.969 -1.5968 -179.2311 -178.7208 0.7858 1.4695 -179.0239 0.7716 -178.0546 178.5445 -0.2817 177.6026 -1.1774 -0.0594 -178.8393 0.2335 -179.5793 179.0466 -0.7663 0.3981 179.6746 -178.4175 0.859 -179.7215 59.6595 -60.0184 -59.3783 -179.9973 60.3247 60.7183 -59.9006 -179.5786 61.2151 -178.9633 -58.5271 -59.2039 60.6177 -178.9461 -178.8417 -59.0201 61.4161 59.7891 -179.6068 -59.9193 -179.8667 -59.2626 60.4249 -60.4595 60.1446 179.8321 -157.509 29.6207 83.1399 -89.7305 -35.8797 151.2499 137.2731 -43.3248 11.2626 -169.3353 -104.8319 74.5702 -0.4613 179.4244 -179.9687 -0.083 0.2966 -179.4204 179.0877 -0.6292 -0.4115 179.7038 179.3974 -0.4873 -0.1649 179.4986 -179.4259 0.2376 -177.8375 -2.1114 2.7783 178.5044 -0.1846 -179.8497 179.5326 -0.1326 calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|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. 0.00050 0.00126 0.00269 0.00397 0.00414 0.00503 0.00593 0.00777 0.01187 0.01194 0.01346 0.01602 0.01662 0.01679 0.01808 0.01912 0.02153 0.02237 0.02328 0.02359 0.02419 0.02500 0.02536 0.02687 0.02708 0.02784 0.03245 0.03813 0.03986 0.04484 0.04496 0.04507 0.04513 0.04613 0.04626 0.04630 0.04892 0.05103 0.05196 0.05307 0.05529 0.06126 0.06169 0.06214 0.06818 0.08743 0.08979 0.09248 0.10525 0.10836 0.11082 0.11266 0.11692 0.11899 0.11920 0.12040 0.12174 0.12189 0.12351 0.12393 0.12436 0.12510 0.12781 0.12947 0.13828 0.14254 0.14287 0.14712 0.14734 0.15334 0.15507 0.16863 0.16886 0.16975 0.17348 0.17501 0.18000 0.18607 0.18777 0.19125 0.19477 0.19723 0.20062 0.20299 0.21620 0.22777 0.26787 0.27027 0.27106 0.27197 0.27844 0.29242 0.29671 0.30151 0.30731 0.31006 0.31918 0.32602 0.33132 0.33145 0.33207 0.33208 0.33369 0.33458 0.33472 0.33662 0.33689 0.34047 0.34053 0.34173 0.34298 0.34443 0.34692 0.34820 0.35282 0.35483 0.35559 0.35602 0.35651 0.35720 0.35760 0.35904 0.36488 0.38647 0.39236 0.39785 0.42594 0.46075 0.47714 0.48078 0.49450 0.50402 0.59543 1.02218 1.07737 Angle between quadratic step and forces= 78.52 degrees. 1 2 3 0.03785089 0.00072697 0.00000016 0.00018479 0.00000225 0.00000225 R1 R2 R3 R4 R5 R6 R7 R8 R9 R10 R11 R12 R13 R14 R15 R16 R17 R18 R19 R20 R21 R22 R23 R24 R25 R26 R27 R28 R29 R30 R31 R32 R33 R34 R35 R36 R37 R38 R39 R40 R41 R42 R43 R44 R45 R46 R47 R48 A1 A2 A3 A4 A5 A6 A7 A8 A9 A10 A11 A12 A13 A14 A15 A16 A17 A18 A19 A20 A21 A22 A23 A24 A25 A26 A27 A28 A29 A30 A31 A32 A33 A34 A35 A36 A37 A38 A39 A40 A41 A42 A43 A44 A45 A46 A47 A48 A49 A50 A51 A52 A53 A54 A55 A56 A57 A58 A59 A60 A61 A62 A63 A64 A65 A66 A67 A68 A69 A70 A71 A72 A73 A74 A75 A76 A77 A78 A79 A80 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 2.80356 2.79028 2.77555 2.86634 2.07433 2.06472 2.70851 2.61096 2.71475 2.68910 2.68046 2.68608 2.91752 2.92093 2.91819 2.77862 2.83188 2.08387 2.07104 2.66734 2.04993 2.59971 2.04373 2.06334 2.06353 2.08478 2.59612 2.04998 2.04910 2.59533 2.04932 2.06577 2.06569 2.06724 2.06755 2.06534 2.06399 2.06572 2.06568 2.06726 2.53407 2.05272 2.67326 2.04930 2.04890 2.28780 2.68650 2.05580 1.96595 1.88796 1.90087 2.00497 1.91881 1.85692 1.94124 1.87991 1.85335 2.14625 2.06141 2.07552 2.07472 2.15496 2.05280 2.09038 2.08671 2.10591 1.91254 1.91469 1.91309 1.91251 1.90218 1.90874 1.98890 1.94449 1.85601 1.92157 1.88456 1.86173 2.13097 2.07762 2.07457 2.11873 2.09035 2.07392 1.91822 1.91798 1.96277 1.88960 1.88764 1.88584 2.09963 2.07400 2.10955 2.09482 2.08672 2.10164 2.11225 2.06665 2.10421 1.93633 1.93577 1.91401 1.89311 1.89178 1.89171 1.91176 1.93736 1.93502 1.89409 1.89415 1.89044 1.93631 1.93542 1.91368 1.89310 1.89203 1.89219 2.16037 2.03379 2.08898 2.10633 2.08915 2.08769 2.08952 2.10108 2.09257 2.16542 2.08314 2.03238 3.11069 3.09292 3.12607 3.16876 1.17585 -1.02937 -3.02909 -3.00539 1.07257 -0.92714 -1.28426 0.90294 2.92494 2.90442 -1.19157 0.83043 3.10262 1.02487 -1.07662 -1.03845 -3.11620 1.06549 -1.91864 1.22641 0.27499 -2.86314 2.29917 -0.83896 3.11721 0.01691 -0.02787 -3.12817 -3.11927 0.01371 0.02565 -3.12456 0.01347 -3.10764 3.11619 -0.00492 3.09975 -0.02055 -0.00104 -3.12133 0.00408 -3.13425 3.12495 -0.01337 0.00695 3.13591 -3.11397 0.01499 -3.13673 1.04126 -1.04752 -1.03635 -3.14155 1.05287 1.05974 -1.04546 -3.13424 1.06841 -3.12350 -1.02149 -1.03330 1.05798 -3.12320 -3.12138 -1.03010 1.07191 1.04352 -3.13473 -1.04579 -3.13927 -1.03433 1.05461 -1.05522 1.04972 3.13866 -2.74905 0.51698 1.45106 -1.56609 -0.62622 2.63981 2.39587 -0.75616 0.19657 -2.95546 -1.82966 1.30150 -0.00805 3.13155 -3.14105 -0.00145 0.00518 -3.13148 3.12567 -0.01098 -0.00718 3.13642 3.13108 -0.00850 -0.00288 3.13284 -3.13157 0.00415 -3.10385 -0.03685 0.04849 3.11549 -0.00322 -3.13897 3.13344 -0.00231 -0.00013 -0.00022 -0.00016 -0.00014 0.00002 -0.00002 -0.00008 -0.00011 -0.00008 -0.00006 -0.00003 -0.00006 -0.00005 -0.00012 -0.00003 0.00000 -0.00003 0.00003 -0.00002 -0.00002 0.00000 -0.00009 -0.00002 -0.00001 -0.00002 0.00003 -0.00005 -0.00001 -0.00001 -0.00007 -0.00000 -0.00000 -0.00000 -0.00001 -0.00001 -0.00002 0.00001 -0.00001 -0.00000 -0.00001 -0.00008 0.00003 -0.00006 -0.00002 -0.00001 -0.00001 0.00003 -0.00004 0.00010 -0.00013 0.00004 0.00011 0.00006 -0.00012 -0.00012 0.00004 0.00001 -0.00015 0.00010 0.00004 -0.00000 -0.00001 0.00002 -0.00001 -0.00002 0.00002 -0.00001 0.00003 -0.00001 -0.00002 0.00001 0.00000 -0.00003 0.00003 0.00000 0.00009 -0.00010 -0.00001 -0.00003 0.00001 0.00002 -0.00001 0.00001 0.00000 -0.00002 -0.00001 0.00001 0.00002 0.00000 -0.00000 -0.00001 0.00000 0.00000 0.00001 -0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00002 -0.00000 -0.00002 0.00001 0.00002 0.00001 -0.00001 -0.00004 0.00001 0.00002 0.00001 0.00003 -0.00001 -0.00002 -0.00001 0.00002 0.00001 0.00002 0.00014 -0.00006 -0.00008 0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00012 0.00002 0.00010 0.00014 0.00019 -0.00010 -0.00021 -0.00010 -0.00008 -0.00007 -0.00008 -0.00006 -0.00005 -0.00022 -0.00010 -0.00008 -0.00015 -0.00002 -0.00001 -0.00004 -0.00004 -0.00004 0.00003 0.00002 0.00003 -0.00011 -0.00007 -0.00003 0.00001 -0.00005 -0.00001 0.00006 0.00000 0.00001 -0.00004 -0.00003 -0.00003 0.00001 0.00001 -0.00003 -0.00005 0.00002 0.00000 0.00005 0.00004 -0.00000 -0.00001 0.00001 0.00001 0.00004 0.00003 -0.00000 0.00002 -0.00002 -0.00000 0.00001 0.00001 0.00000 -0.00001 -0.00001 -0.00001 0.00000 0.00000 0.00000 0.00001 -0.00000 0.00001 -0.00000 -0.00001 -0.00001 -0.00000 -0.00001 -0.00000 0.00000 0.00000 0.00000 -0.00001 -0.00001 -0.00001 -0.00000 -0.00000 -0.00000 0.00014 -0.00004 0.00005 -0.00012 0.00006 -0.00012 0.00010 0.00003 0.00001 -0.00006 0.00002 -0.00005 -0.00002 -0.00000 -0.00002 0.00000 0.00000 -0.00000 0.00002 0.00001 0.00001 -0.00001 0.00002 -0.00000 0.00000 0.00000 -0.00002 -0.00002 -0.00011 -0.00017 -0.00004 -0.00010 -0.00001 -0.00001 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00003 -0.00068 -0.00066 -0.00107 0.00013 -0.00005 -0.00020 -0.00039 -0.00025 -0.00020 0.00007 -0.00021 -0.00022 -0.00014 -0.00003 -0.00003 0.00028 -0.00009 -0.00008 0.00012 0.00010 -0.00006 -0.00008 -0.00004 -0.00001 0.00012 -0.00028 -0.00009 -0.00003 0.00007 0.00012 -0.00000 -0.00000 -0.00003 -0.00003 -0.00006 0.00022 -0.00002 -0.00001 -0.00002 -0.00011 0.00007 -0.00018 -0.00005 -0.00002 -0.00005 0.00012 -0.00013 0.00131 -0.00047 0.00119 -0.00136 0.00091 -0.00047 -0.00053 0.00133 0.00026 -0.00081 0.00046 0.00036 -0.00017 -0.00011 0.00030 -0.00008 -0.00016 0.00025 0.00039 -0.00006 0.00029 -0.00025 -0.00045 0.00007 -0.00071 0.00108 0.00005 0.00093 -0.00087 -0.00060 -0.00023 -0.00015 0.00037 -0.00014 0.00018 -0.00003 0.00023 -0.00030 0.00013 0.00021 0.00014 -0.00041 0.00013 -0.00010 -0.00003 -0.00005 0.00003 0.00002 -0.00001 -0.00001 0.00004 -0.00015 0.00009 -0.00015 0.00004 0.00003 0.00014 0.00006 -0.00035 0.00032 -0.00002 -0.00021 0.00019 -0.00005 -0.00017 -0.00006 0.00010 0.00011 0.00008 0.00106 -0.00065 -0.00040 -0.00005 0.00006 -0.00001 0.00008 -0.00003 -0.00005 -0.00097 0.00017 0.00073 -0.00134 -0.00148 -0.00138 -0.00270 -0.01988 -0.01885 -0.01935 -0.01789 -0.01686 -0.01735 -0.01312 -0.01154 -0.01167 -0.01418 -0.01259 -0.01272 -0.00640 -0.00661 -0.00597 -0.00436 -0.00457 -0.00393 0.01793 0.01369 0.01762 0.01338 0.01842 0.01419 -0.00629 -0.00693 -0.00203 -0.00267 0.00516 0.00372 0.00111 -0.00033 0.00140 0.00071 0.00199 0.00130 0.00050 0.00020 -0.00012 -0.00042 0.00019 0.00056 0.00089 0.00125 -0.00169 0.00041 -0.00239 -0.00028 -0.00062 -0.00063 -0.00077 -0.00072 -0.00074 -0.00087 -0.00048 -0.00050 -0.00064 -0.00115 -0.00135 -0.00113 -0.00116 -0.00137 -0.00114 -0.00083 -0.00104 -0.00081 -0.00071 -0.00073 -0.00078 -0.00043 -0.00045 -0.00050 -0.00108 -0.00111 -0.00115 -0.00334 -0.00121 -0.00380 -0.00168 -0.00234 -0.00022 0.00985 0.01043 0.00819 0.00877 0.00890 0.00948 0.00051 -0.00013 0.00195 0.00132 -0.00072 -0.00075 -0.00042 -0.00045 -0.00115 -0.00052 -0.00153 -0.00089 0.00086 0.00105 -0.00129 -0.00110 0.00079 -0.00024 0.00020 -0.00084 0.00036 0.00017 0.00039 0.00020 -0.00003 -0.00068 -0.00066 -0.00107 0.00013 -0.00005 -0.00020 -0.00039 -0.00025 -0.00020 0.00007 -0.00021 -0.00022 -0.00014 -0.00003 -0.00003 0.00028 -0.00009 -0.00008 0.00012 0.00010 -0.00006 -0.00008 -0.00004 -0.00001 0.00012 -0.00028 -0.00009 -0.00003 0.00007 0.00012 -0.00000 -0.00000 -0.00003 -0.00003 -0.00006 0.00022 -0.00002 -0.00001 -0.00002 -0.00011 0.00007 -0.00018 -0.00005 -0.00002 -0.00005 0.00012 -0.00013 0.00131 -0.00047 0.00119 -0.00136 0.00091 -0.00047 -0.00053 0.00133 0.00026 -0.00081 0.00046 0.00036 -0.00017 -0.00011 0.00030 -0.00008 -0.00016 0.00025 0.00039 -0.00006 0.00029 -0.00025 -0.00045 0.00007 -0.00071 0.00108 0.00005 0.00093 -0.00087 -0.00060 -0.00023 -0.00015 0.00037 -0.00014 0.00018 -0.00003 0.00023 -0.00030 0.00013 0.00021 0.00014 -0.00041 0.00012 -0.00010 -0.00002 -0.00005 0.00003 0.00002 -0.00001 -0.00001 0.00004 -0.00015 0.00009 -0.00015 0.00004 0.00003 0.00014 0.00006 -0.00035 0.00032 -0.00002 -0.00021 0.00019 -0.00005 -0.00017 -0.00006 0.00010 0.00011 0.00008 0.00106 -0.00065 -0.00040 -0.00005 0.00006 -0.00001 0.00008 -0.00003 -0.00005 -0.00097 0.00017 0.00073 -0.00132 -0.00146 -0.00139 -0.00271 -0.01988 -0.01885 -0.01935 -0.01789 -0.01686 -0.01735 -0.01312 -0.01154 -0.01167 -0.01418 -0.01259 -0.01272 -0.00640 -0.00661 -0.00597 -0.00436 -0.00457 -0.00393 0.01793 0.01369 0.01762 0.01338 0.01842 0.01419 -0.00629 -0.00693 -0.00203 -0.00267 0.00517 0.00372 0.00111 -0.00033 0.00140 0.00071 0.00199 0.00130 0.00050 0.00020 -0.00012 -0.00042 0.00019 0.00056 0.00089 0.00125 -0.00169 0.00041 -0.00239 -0.00028 -0.00061 -0.00063 -0.00077 -0.00072 -0.00074 -0.00087 -0.00048 -0.00050 -0.00064 -0.00115 -0.00136 -0.00113 -0.00116 -0.00137 -0.00114 -0.00083 -0.00104 -0.00081 -0.00071 -0.00074 -0.00078 -0.00043 -0.00045 -0.00050 -0.00108 -0.00111 -0.00115 -0.00335 -0.00121 -0.00380 -0.00166 -0.00235 -0.00021 0.00985 0.01043 0.00819 0.00877 0.00890 0.00948 0.00051 -0.00013 0.00195 0.00132 -0.00072 -0.00075 -0.00042 -0.00045 -0.00115 -0.00052 -0.00153 -0.00089 0.00086 0.00105 -0.00129 -0.00110 0.00079 -0.00024 0.00019 -0.00083 0.00036 0.00017 0.00039 0.00020 2.80353 2.78959 2.77489 2.86526 2.07446 2.06466 2.70831 2.61057 2.71450 2.68889 2.68053 2.68588 2.91730 2.92080 2.91816 2.77859 2.83216 2.08378 2.07097 2.66746 2.05003 2.59965 2.04365 2.06330 2.06352 2.08490 2.59584 2.04989 2.04907 2.59540 2.04944 2.06577 2.06569 2.06721 2.06751 2.06528 2.06421 2.06571 2.06567 2.06724 2.53396 2.05280 2.67308 2.04925 2.04887 2.28776 2.68663 2.05566 1.96727 1.88749 1.90206 2.00361 1.91972 1.85645 1.94070 1.88125 1.85361 2.14544 2.06186 2.07588 2.07455 2.15485 2.05310 2.09030 2.08655 2.10616 1.91293 1.91463 1.91339 1.91226 1.90173 1.90881 1.98819 1.94557 1.85606 1.92250 1.88369 1.86113 2.13074 2.07747 2.07494 2.11859 2.09053 2.07388 1.91845 1.91768 1.96290 1.88980 1.88778 1.88544 2.09975 2.07390 2.10953 2.09477 2.08676 2.10166 2.11224 2.06665 2.10425 1.93618 1.93586 1.91386 1.89315 1.89180 1.89184 1.91182 1.93701 1.93534 1.89407 1.89394 1.89064 1.93626 1.93525 1.91361 1.89320 1.89214 1.89227 2.16143 2.03314 2.08858 2.10628 2.08921 2.08768 2.08960 2.10105 2.09252 2.16445 2.08331 2.03311 3.10937 3.09146 3.12468 3.16605 1.15596 -1.04822 -3.04843 -3.02328 1.05572 -0.94450 -1.29738 0.89140 2.91327 2.89024 -1.20416 0.81771 3.09622 1.01826 -1.08259 -1.04281 -3.12077 1.06156 -1.90072 1.24011 0.29260 -2.84975 2.31759 -0.82477 3.11092 0.00998 -0.02990 -3.13084 -3.11410 0.01744 0.02676 -3.12489 0.01487 -3.10693 3.11818 -0.00362 3.10025 -0.02035 -0.00116 -3.12176 0.00427 -3.13369 3.12584 -0.01212 0.00525 3.13632 -3.11636 0.01471 -3.13735 1.04062 -1.04829 -1.03707 3.14090 1.05199 1.05925 -1.04596 -3.13488 1.06725 -3.12486 -1.02262 -1.03446 1.05661 -3.12434 -3.12221 -1.03113 1.07111 1.04280 -3.13547 -1.04657 -3.13969 -1.03478 1.05412 -1.05630 1.04862 3.13751 -2.75240 0.51577 1.44726 -1.56776 -0.62857 2.63960 2.40572 -0.74573 0.20476 -2.94669 -1.82076 1.31098 -0.00754 3.13142 -3.13910 -0.00013 0.00446 -3.13222 3.12525 -0.01143 -0.00834 3.13591 3.12955 -0.00939 -0.00202 3.13389 -3.13287 0.00304 -3.10306 -0.03709 0.04868 3.11466 -0.00286 -3.13880 3.13382 -0.00212 |Maximum Force|RMS Force|Maximum Displacement|RMS Displacement| 0.000223 0.000057 0.153130 0.037837 0.000450 0.000300 0.001800 0.001200 YES YES NO NO -6.560663e-06 6-311+G(d,p) (5D, 7F) 0.10000e-02 0.10000e-05 F 656 A 634 A 634 992 656 79 79 1759.9280455890 47 47 47 1.00e+00 60 F IExCor= 402 DFT=T Ex+Corr=B3LYP ExCW=0 ScaHFX= 0.200000 ScaDFX= 0.800000 0.720000 1.000000 0.810000 ScalE2= 1.000000 1.000000 IRadAn= 5 IRanWt= -1 IRanGd= 0 ICorTp=0 IEmpDi=131 Grimme-D3 -0.0518900412 PCM SMD-Coulomb. Total charges None Matrix inversion Water 78.355300 1.777849 0.000000 1.483581 0.000000 2.528819 1.516800 0.000000 3.590604 2.592536 1.433283 0.000000 4.786139 3.888371 2.471144 1.436584 0.000000 7.282839 7.320739 6.227222 5.548241 4.801336 0.000000 1.476551 2.463282 3.089332 3.664987 4.784467 6.444900 0.000000 3.159704 2.486866 1.381660 2.424563 2.795722 6.246324 3.886483 0.000000 3.984763 3.044810 2.515730 1.423009 2.446223 5.970876 3.769883 3.751356 0.000000 1.468760 2.391114 3.781658 4.831985 6.123505 8.671704 2.396514 4.413118 5.001429 0.000000 5.123725 4.347824 2.833102 2.469667 1.418438 4.861119 5.319628 2.412511 3.748671 6.505089 0.000000 4.463126 3.810511 2.444119 2.825507 2.421901 5.615068 4.949598 1.411495 4.246665 5.785612 1.373808 0.000000 5.946616 5.061042 3.770172 2.469600 1.421414 4.553944 5.716195 4.216979 2.797569 7.248165 2.467521 3.721199 0.000000 8.354076 8.415485 7.414419 6.588051 5.908233 1.543883 7.344390 7.606725 6.732138 9.674771 6.187338 7.044365 5.384463 0.000000 7.607074 7.356850 6.059906 5.241312 4.167933 1.545691 6.993451 5.980390 5.782830 9.050785 4.105654 5.093068 3.727976 2.524329 0.000000 7.714250 7.936577 6.876060 6.469227 5.741652 1.544241 6.950971 6.638916 7.092437 9.087830 5.472046 5.955312 5.752691 2.525052 2.524595 0.000000 2.494541 3.121747 2.995850 3.280302 4.021078 4.980322 1.498565 3.554713 3.632962 3.750239 4.444794 4.248964 4.876900 5.955606 5.582426 5.456209 0.000000 5.295374 4.420102 3.768230 2.440717 2.807322 5.761706 4.878113 4.864005 1.375709 6.305340 4.225518 5.061146 2.411183 6.277059 5.462085 7.080490 4.538229 0.000000 6.161060 5.278003 4.270997 2.838884 2.432865 5.070357 5.761255 5.059703 2.424865 7.330823 3.725861 4.854263 1.373390 5.584514 4.472046 6.441940 5.099950 1.414630 0.000000 5.925549 6.041092 5.098830 4.492348 4.068870 1.470381 5.007502 5.303710 4.837326 7.279642 4.351700 4.967149 4.058462 2.463640 2.455622 2.460148 3.566694 4.815598 4.442786 0.000000 3.655026 3.978141 3.595953 3.314702 3.820213 4.100117 2.505703 4.284229 3.368825 4.861861 4.484942 4.690297 4.299498 4.867562 4.783686 4.855186 1.340973 3.891147 4.335986 2.631278 0.000000 4.838631 5.039839 4.293093 3.800622 3.764311 2.680647 3.833298 4.696357 4.046338 6.146372 4.239272 4.678604 3.995080 3.528696 3.488115 3.509088 2.440317 4.248311 4.229829 1.210653 1.421637 0.000000 2.125246 1.097691 2.170516 2.717232 4.139928 7.666579 2.712852 3.392682 2.631209 2.645709 4.892499 4.601417 5.094381 8.615850 7.702481 8.447166 3.537313 3.953179 5.029476 6.348822 4.143824 5.302377 0.000000 2.076000 1.092602 2.121980 3.332876 4.512678 8.214639 3.371330 2.669112 3.888210 2.520525 4.775534 4.037352 5.752140 9.378402 8.156709 8.754552 4.093521 5.248242 6.057258 6.992005 5.032646 6.040448 1.751423 0.000000 2.141266 2.681651 3.392847 3.653814 4.882065 6.713643 1.102736 4.466415 3.336330 2.734079 5.677210 5.508468 5.624583 7.449115 7.231083 7.420894 2.144158 4.342389 5.410556 5.252138 2.632732 4.048489 2.465497 3.649261 0.000000 2.071695 3.368140 4.107717 4.749556 5.817520 6.947233 1.095950 4.750871 4.831173 2.485388 6.266877 5.810917 6.734473 7.784319 7.671115 7.301048 2.112014 5.882935 6.768056 5.520820 3.097211 4.366148 3.626674 4.125085 1.763650 0.000000 3.049757 2.651676 2.130902 3.408737 3.880348 7.027386 4.053929 1.084774 4.639199 4.106281 3.384546 2.155765 5.301617 8.424021 6.858424 7.247347 3.945728 5.838654 6.123312 6.069760 4.911196 5.419997 3.698006 2.508423 4.777462 4.750630 0.000000 3.562609 2.704011 2.762463 2.173189 3.433138 6.745214 3.364957 4.130409 1.081493 4.329425 4.634216 4.906336 3.878644 7.457060 6.717152 7.815547 3.651064 2.120600 3.397391 5.493559 3.568165 4.544416 1.969057 3.549930 2.720347 4.367278 4.843350 0.000000 2.107483 3.352273 4.613980 5.656154 6.884413 8.906049 2.632034 5.117362 5.835203 1.091872 7.199088 6.436290 8.000328 9.875459 9.442927 9.193526 3.951209 7.093171 8.095361 7.510925 5.108434 6.377919 3.657364 3.526621 3.106629 2.240461 4.727599 5.179977 0.000000 2.107384 2.615734 4.001874 5.202257 6.455569 9.369717 3.354162 4.440117 5.512108 1.091972 6.704297 5.844931 7.665385 10.461133 9.628581 9.741093 4.575249 6.863008 7.843478 8.028809 5.731845 6.945411 2.985086 2.260940 3.727807 3.505750 3.944471 4.884243 1.769740 0.000000 2.147634 2.683134 4.147595 4.966314 6.353595 9.023292 2.687555 5.033009 4.826715 1.103216 6.944847 6.391408 7.340833 9.906394 9.397265 9.589532 4.147702 6.052929 7.222431 7.592906 5.049231 6.417364 2.462753 2.905883 2.561769 2.836503 4.890038 3.974070 1.777605 1.776530 0.000000 6.170932 5.432405 3.917820 3.446223 2.161670 4.683287 6.297420 3.404145 4.606026 7.568109 1.084803 2.143225 2.680321 5.995931 3.658867 5.235134 5.296018 4.841397 4.049425 4.510738 5.196240 4.681704 5.961443 5.839276 6.658201 7.211990 4.288299 5.566078 8.230145 7.764859 8.020939 0.000000 5.166438 4.649599 3.413648 3.909625 3.409665 6.020252 5.732442 2.162930 5.330989 6.431525 2.138099 1.084338 4.602718 7.515868 5.459744 6.118369 5.003495 6.120670 5.820603 5.545917 5.519610 5.389963 5.529292 4.728895 6.402240 6.492412 2.470110 5.974345 7.001959 6.392410 7.146025 2.479363 0.000000 6.857580 6.007732 4.627955 3.443391 2.159462 4.368680 6.629478 4.831125 3.881954 8.204423 2.674047 4.042720 1.084455 5.177863 3.235836 5.523327 5.656881 3.401799 2.139363 4.232685 5.038728 4.464667 6.123745 6.647537 6.612980 7.614651 5.895305 4.963038 8.927560 8.594171 8.359477 2.427905 4.740968 0.000000 8.413627 8.651262 7.796225 7.072967 6.570259 2.187487 7.285271 8.033969 7.150647 9.659954 6.881106 7.610557 6.164584 1.093159 3.485992 2.769876 5.938847 6.779191 6.274078 2.733765 4.860706 3.620704 8.844150 9.647563 7.396402 7.581442 8.778408 7.755597 9.748622 10.510498 9.884831 6.800020 8.087542 6.086535 0.000000 8.339558 8.278314 7.300375 6.313905 5.671758 2.187055 7.308316 7.657979 6.262667 9.630085 6.174007 7.154135 4.947965 1.093117 2.770154 3.485806 6.015511 5.625046 4.921383 2.726847 4.805144 3.601406 8.347445 9.267171 7.257371 7.828572 8.552046 6.989866 9.909335 10.432151 9.748608 6.030421 7.746580 4.790343 1.773962 0.000000 9.331149 9.352117 8.270301 7.429172 6.606089 2.171855 8.374561 8.359855 7.637373 10.680190 6.759002 7.658064 6.004494 1.093939 2.754567 2.758563 6.957482 7.122314 6.285381 3.408788 5.915163 4.544109 9.585570 10.281320 8.510842 8.819725 9.177703 8.420194 10.886931 11.433925 10.943207 6.406112 8.031141 5.618283 1.773773 1.773694 0.000000 8.661677 8.405638 7.073510 6.261774 5.103553 2.171919 8.064441 6.900332 6.816508 10.112034 4.912502 5.897470 4.578264 2.763056 1.094098 2.746657 6.635899 6.421295 5.327663 3.402190 5.845663 4.511889 8.770230 9.172328 8.319755 8.715686 7.751306 7.774014 10.489491 10.669480 10.480682 4.283163 6.130834 3.901334 3.765534 3.119645 2.541022 0.000000 7.075101 6.773755 5.403558 4.736029 3.586487 2.189654 6.648557 5.138065 5.518122 8.540671 3.225671 4.134847 3.448470 3.485807 1.092929 2.779874 5.263589 5.408611 4.463509 2.711059 4.698674 3.538114 7.231681 7.481835 6.995911 7.365695 5.981057 6.467149 8.966680 9.023463 8.971369 2.716272 4.412812 2.972138 4.340523 3.774155 3.765039 1.775192 0.000000 7.596302 7.199408 5.913737 4.884341 3.806363 2.187433 6.966142 6.034407 5.227179 9.010297 4.060346 5.224769 3.039514 2.760514 1.092216 3.484425 5.655885 4.695905 3.597656 2.727679 4.732875 3.572972 7.402895 8.025895 7.045688 7.729682 7.005797 6.197270 9.488337 9.601354 9.239674 3.680597 5.751874 2.531327 3.772487 2.556449 3.091007 1.774656 1.771335 0.000000 7.761531 8.172304 7.271832 6.955715 6.414276 2.187775 6.875717 7.102858 7.491783 9.055703 6.230620 6.592792 6.490904 2.773262 3.486200 1.093134 5.423333 7.537363 7.057353 2.727351 4.842964 3.596785 8.671439 9.025918 7.361855 7.069789 7.630613 8.101576 9.038924 9.775411 9.555784 6.124925 6.780576 6.385620 2.568916 3.781031 3.113375 3.755065 3.785971 4.338753 0.000000 7.207172 7.424252 6.332587 6.100403 5.369497 2.187113 6.619053 5.913704 6.913938 8.596152 4.876231 5.182153 5.613939 3.485563 2.766924 1.093112 5.142281 7.077738 6.475603 2.724090 4.787976 3.572184 8.048771 8.154001 7.212099 6.988367 6.440268 7.635608 8.714373 9.160278 9.192553 4.654003 5.221405 5.410471 3.779982 4.338568 3.761897 3.089440 2.573595 3.779138 1.773930 0.000000 8.761492 8.923712 7.791744 7.326412 6.460438 2.171935 8.030610 7.488858 7.960624 10.150046 6.111972 6.668868 6.341923 2.755041 2.757919 1.093949 6.533492 7.845160 7.064506 3.406162 5.905063 4.528825 9.435558 9.715371 8.486506 8.394048 8.108740 8.742694 10.269876 10.777374 10.656836 5.701549 6.738776 5.943751 3.103041 3.761035 2.535895 2.526502 3.123649 3.757411 1.773922 1.774007 0.000000 2.744154 3.424367 3.098808 3.612892 4.119968 4.853001 2.209006 3.207906 4.307477 4.059794 4.183223 3.775205 5.118492 6.015652 5.424571 5.056142 1.086255 5.238709 5.601832 3.587449 2.102642 2.686087 4.105391 4.228027 3.094720 2.623684 3.458817 4.458295 4.182105 4.727378 4.690279 4.969892 4.346704 5.766268 6.029563 6.245880 6.934878 6.419896 4.960745 5.684913 5.049159 4.560832 6.117751 0.000000 5.854442 5.050628 4.644871 3.419985 3.891725 6.421313 5.326200 5.833202 2.132346 6.700785 5.309834 6.121875 3.388908 6.725354 6.227426 7.801869 5.148194 1.084442 2.166433 5.467332 4.419544 4.868641 4.394712 5.882475 4.599922 6.254692 6.760228 2.434482 7.463284 7.313516 6.282718 5.907286 7.188581 4.293628 7.149595 5.961440 7.585628 7.156529 6.303521 5.395760 8.182812 7.901232 8.560786 5.973646 0.000000 7.192072 6.335929 5.355120 3.923024 3.417990 5.297344 6.701612 6.117586 3.401078 8.337225 4.602625 5.817586 2.137295 5.549005 4.633787 6.758467 6.003162 2.169253 1.084229 4.881285 5.097570 4.841365 6.027122 7.119427 6.285368 7.670622 7.188198 4.281580 9.082481 8.880076 8.173144 4.741646 6.733509 2.473192 6.287833 4.743348 6.148991 5.348037 4.827747 3.617620 7.391802 6.932812 7.266756 6.527803 2.490944 0.000000 3.971361 4.182925 3.993185 3.511765 4.173577 4.680001 2.724072 4.933216 3.104299 4.993852 5.098719 5.424848 4.438295 5.182062 5.328193 5.626531 2.100473 3.454585 4.130764 3.256601 1.087880 2.140589 4.058470 5.274734 2.390905 3.315220 5.600384 3.136305 5.290121 5.925968 4.940476 5.828256 6.342885 5.268870 5.144974 4.910886 6.260121 6.384875 5.377051 5.080409 5.594875 5.693709 6.634425 3.065561 3.741459 4.800322 0.000000 C21H25N C1 1 C1 1 C1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 266.23139999999984 AuxInfo=1/0/N:2;3;4;5;6;7;8;9;10;11;12;13;14;15;16;17;18;19;20;21;22;1;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/rA:47nN0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:3.4583,-1.4033,.2068;3.4349,.08,.1947;2.1594,.7024,.7299;1.2124,1.3807,-.1052;.0176,1.9115,.4903;-3.8108,-.9636,.1302;2.4914,-1.9948,-.7394;1.9091,.6101,2.0855;1.365,1.5187,-1.5132;4.8114,-1.843,-.1583;-.1959,1.7717,1.8856;.7363,1.1357,2.6691;-.951,2.5503,-.3307;-4.7979,-1.1493,-1.0423;-3.8962,.4881,.6543;-4.1632,-1.9462,1.2681;1.0639,-1.8907,-.2952;.4051,2.1364,-2.281;-.7667,2.6613,-1.6872;-2.4399,-1.2251,-.3327;.052,-1.5574,-1.1095;-1.2973,-1.4139,-.6855;3.6651,.4499,-.8129;4.2581,.4067,.8345;2.6056,-1.5693,-1.7503;2.7453,-3.0582,-.8154;2.6323,.1111,2.7218;2.2422,1.115,-2.0003;4.8713,-2.9326,-.1196;5.5377,-1.435,.5477;5.1007,-1.5186,-1.1722;-1.1065,2.1722,2.3182;.5772,1.0319,3.7367;-1.8484,2.9395,.1375;-4.7592,-2.1716,-1.4275;-4.566,-.4621,-1.8602;-5.8174,-.9476,-.7007;-4.9081,.6859,1.0203;-3.1924,.6505,1.4744;-3.6686,1.2025,-.1399;-4.1073,-2.9815,.9217;-3.4794,-1.8262,2.1125;-5.1816,-1.7536,1.6181;.8635,-2.1123,.7492;.5453,2.2182,-3.3532;-1.5161,3.1434,-2.3048;.2621,-1.3127,-2.1485; 0.4118085 0.1970815 0.1760431 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= 634 RedAO= T EigKep= 1.01D-06 NBF= 634 NBsUse= 629 1.00D-06 EigRej= 5.58D-07 NBFU= 629 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= 655 655 655 655 655 MxSgAt= 47 MxSgA2= 47. 1 Closed 1 1 1 -870.250811850383 -870.250811850 1 8.661226428208e+02 -5.539035083555e+03 2.042777014996e+03 Using DIIS extrapolation, IDIIS= 1040. NGot= 4246732800 LenX= 4245848878 LenY= 4245417886 Requested convergence on RMS density matrix=1.00D-08 within 128 cycles. Requested convergence on MAX density matrix=1.00D-06. Requested convergence on energy=1.00D-06. No special actions if energy rises. Fock matrices will be formed incrementally for 20 cycles. Using compressed storage, NAtomX= 47. Will process 48 centers per pass. Symmetrizing basis deriv contribution to polar: IMax=3 JMax=2 DiffMx= 0.00D+00 Minotr: Closed shell wavefunction. IDoAtm=11111111111111111111111111111111111111111111111 NEqPCM: Using equilibrium solvation (IEInf=0, Eps= 78.3553, EpsInf= 1.7778) Direct CPHF calculation. Differentiating once with respect to electric field. with respect to dipole field. Differentiating once with respect to nuclear coordinates. Requested convergence is 1.0D-08 RMS, and 1.0D-07 maximum. Secondary convergence is 1.0D-12 RMS, and 1.0D-12 maximum. NewPWx=T KeepS1=F KeepF1=F KeepIn=T MapXYZ=F SortEE=F KeepMc=T. 14532 words used for storage of precomputed grid. Two-electron integrals replicated using symmetry. MDV= 4246732800 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= 800000000 NMat= 141 IRICut= 352 DoRegI=T DoRafI=T ISym2E= 2 IDoP0=3 IntGTp=3. There are 144 degrees of freedom in the 1st order CPHF. IDoFFX=6 NUNeed= 3. 141 vectors produced by pass 0 Test12= 4.35D-14 1.00D-09 XBig12= 3.74D+02 8.63D+00. AX will form 141 AO Fock derivatives at one time. 141 vectors produced by pass 1 Test12= 4.35D-14 1.00D-09 XBig12= 7.73D+01 1.13D+00. 141 vectors produced by pass 2 Test12= 4.35D-14 1.00D-09 XBig12= 1.21D+00 1.08D-01. 141 vectors produced by pass 3 Test12= 4.35D-14 1.00D-09 XBig12= 4.01D-03 3.57D-03. 141 vectors produced by pass 4 Test12= 4.35D-14 1.00D-09 XBig12= 8.45D-06 1.98D-04. 117 vectors produced by pass 5 Test12= 4.35D-14 1.00D-09 XBig12= 1.48D-08 9.31D-06. 34 vectors produced by pass 6 Test12= 4.35D-14 1.00D-09 XBig12= 2.17D-11 3.08D-07. 3 vectors produced by pass 7 Test12= 4.35D-14 1.00D-09 XBig12= 3.22D-14 1.24D-08. InvSVY: IOpt=1 It= 1 EMax= 3.55D-14 Solved reduced A of dimension 859 with 144 vectors. FullF1: Do perturbations 1 to 3. Isotropic polarizability for W= 0.000000 397.79 Bohr**3. End of Minotr F.D. properties file 721 does not exist. 459.281 -68.206 307.262 7.380 -27.808 426.826 472.637 -75.567 308.982 7.953 -32.049 447.693 (Enter /usr/local/gaussian/gaussian16/g16/l716.exe) PT138981.700S Thu Dec 8 23:45:38 2022 -14.31046 -10.20268 -10.19203 -10.19091 -10.18678 -10.18497 -10.18377 -10.18305 -10.17813 -10.17630 -10.17410 -10.17395 -10.17375 -10.17310 -10.17302 -10.17271 -10.17139 -10.16634 -10.16409 -10.15504 -10.15503 -10.15404 -0.92246 -0.87680 -0.83066 -0.82521 -0.80507 -0.78441 -0.74401 -0.74253 -0.73277 -0.69273 -0.68664 -0.68372 -0.68324 -0.62697 -0.61699 -0.61485 -0.59487 -0.57473 -0.56149 -0.51682 -0.51088 -0.50052 -0.49429 -0.47354 -0.46977 -0.46408 -0.45212 -0.44399 -0.43785 -0.43748 -0.42828 -0.42365 -0.41632 -0.40142 -0.39872 -0.39067 -0.38874 -0.38727 -0.38090 -0.37199 -0.36815 -0.36405 -0.36234 -0.36001 -0.35158 -0.34181 -0.33826 -0.33676 -0.33125 -0.32492 -0.31821 -0.28881 -0.26596 -0.25131 -0.23111 -0.22526 -0.21864 -0.05298 -0.02381 -0.02166 0.00441 0.00967 0.01423 0.01593 0.02192 0.02824 0.03226 0.03413 0.03685 0.04201 0.04472 0.04973 0.05166 0.05405 0.05705 0.05767 0.06375 0.06579 0.07083 0.07353 0.07654 0.07988 0.08133 0.08298 0.08543 0.09191 0.09569 0.09709 0.10256 0.10283 0.10809 0.11378 0.11550 0.11747 0.12053 0.12443 0.12852 0.13087 0.13151 0.13546 0.14074 0.14351 0.14708 0.14978 0.15541 0.15661 0.16068 0.16261 0.16679 0.17105 0.17231 0.17541 0.17833 0.18029 0.18252 0.18799 0.19007 0.19492 0.19671 0.19706 0.20178 0.20441 0.20615 0.21018 0.21257 0.21518 0.21629 0.21772 0.21962 0.22190 0.22300 0.22419 0.22557 0.22918 0.23229 0.23801 0.24119 0.24350 0.24452 0.24570 0.24692 0.24940 0.25010 0.25327 0.25677 0.25895 0.25987 0.26372 0.26615 0.26977 0.27138 0.27228 0.27487 0.27985 0.28394 0.28520 0.28658 0.28796 0.29212 0.29320 0.29632 0.29779 0.30180 0.30366 0.30749 0.30928 0.31381 0.31806 0.32150 0.32247 0.32679 0.33093 0.33309 0.33692 0.34033 0.34648 0.34805 0.35604 0.35860 0.36508 0.36814 0.37213 0.38181 0.38515 0.38917 0.40546 0.40618 0.41305 0.42586 0.44261 0.44701 0.45672 0.46729 0.47413 0.47903 0.48389 0.48803 0.50105 0.50666 0.50893 0.51305 0.52221 0.52912 0.53917 0.54589 0.54748 0.55440 0.56014 0.56256 0.56675 0.57638 0.57819 0.58391 0.58672 0.58954 0.59800 0.60058 0.60441 0.60923 0.61385 0.62042 0.63079 0.63620 0.63960 0.64955 0.65110 0.65920 0.66409 0.66590 0.67126 0.67864 0.67939 0.68694 0.69233 0.69317 0.69727 0.70364 0.70471 0.70737 0.71068 0.71411 0.71871 0.72139 0.72583 0.72623 0.72810 0.73017 0.73786 0.74116 0.74409 0.74835 0.75500 0.76242 0.76373 0.76910 0.77565 0.77703 0.77823 0.78334 0.78610 0.78876 0.79582 0.80056 0.80292 0.81314 0.82561 0.83056 0.83237 0.83617 0.84730 0.85481 0.85799 0.86032 0.86667 0.87095 0.87743 0.89109 0.89434 0.90014 0.90812 0.91676 0.92992 0.93174 0.93913 0.95129 0.96888 0.97397 0.98307 0.99347 0.99460 0.99871 1.00346 1.01026 1.02134 1.02722 1.04227 1.05042 1.06356 1.06576 1.07459 1.08083 1.09081 1.09886 1.10749 1.11438 1.12099 1.12596 1.13732 1.14902 1.15492 1.16484 1.17257 1.18078 1.18969 1.19843 1.20099 1.20880 1.24140 1.25778 1.26673 1.28074 1.29254 1.29613 1.31160 1.32803 1.34605 1.36071 1.38110 1.38572 1.42085 1.43345 1.44588 1.45460 1.45681 1.46424 1.46845 1.47600 1.48156 1.48771 1.49659 1.49922 1.50429 1.50935 1.51606 1.51990 1.53070 1.54105 1.54545 1.55424 1.55517 1.56229 1.56617 1.57204 1.58092 1.58832 1.59335 1.59948 1.60846 1.61086 1.61582 1.62527 1.63029 1.63583 1.64153 1.64799 1.65589 1.66256 1.66542 1.66884 1.67442 1.68384 1.69057 1.69655 1.70361 1.71144 1.72693 1.74049 1.74634 1.74884 1.75270 1.75734 1.76173 1.76898 1.77193 1.77933 1.78305 1.78694 1.79772 1.80823 1.81640 1.82833 1.83662 1.84042 1.84649 1.86131 1.86816 1.87474 1.89789 1.90342 1.91633 1.92256 1.93047 1.94010 1.94126 1.94876 1.95239 1.96204 1.96416 1.97568 1.97741 1.98503 1.99226 1.99895 2.00007 2.00686 2.01273 2.02366 2.03117 2.04289 2.06193 2.07063 2.09060 2.10652 2.11844 2.12301 2.12516 2.12687 2.14072 2.15458 2.16456 2.17544 2.18477 2.19706 2.20709 2.21419 2.21576 2.22466 2.23741 2.25241 2.25414 2.27997 2.28453 2.30923 2.31767 2.33775 2.36795 2.37907 2.39969 2.41513 2.41890 2.43096 2.43702 2.43922 2.44914 2.45443 2.46302 2.48134 2.49254 2.50168 2.50583 2.50617 2.52773 2.52938 2.53909 2.54488 2.55071 2.55604 2.55962 2.56180 2.57138 2.57643 2.58766 2.59170 2.61963 2.62518 2.63314 2.64908 2.65206 2.65616 2.66455 2.67549 2.68757 2.70295 2.71599 2.72427 2.73034 2.73647 2.74186 2.74989 2.75622 2.75926 2.76943 2.77331 2.77367 2.77923 2.78620 2.79126 2.80595 2.80964 2.83478 2.83673 2.83960 2.86103 2.86181 2.86913 2.87680 2.88454 2.90676 2.91090 2.91936 2.92555 2.93315 2.93414 2.94414 2.95079 2.95955 2.96885 2.97950 2.99039 3.00470 3.01974 3.03947 3.05150 3.06076 3.07534 3.09499 3.10609 3.11192 3.13588 3.14047 3.15043 3.16567 3.20455 3.20888 3.22204 3.23024 3.25029 3.28178 3.28941 3.33482 3.37292 3.40268 3.42887 3.43119 3.49918 3.51759 3.54881 3.56166 3.56834 3.58672 3.60890 3.64227 3.65172 3.68703 3.71896 3.73193 3.77690 3.78444 3.80208 3.81403 3.82027 3.83018 3.83594 3.83867 3.84282 3.85196 3.87293 3.87639 4.01061 4.04547 4.05487 4.07358 4.13903 4.20568 4.22318 4.29019 4.29582 4.29916 4.35183 4.40651 4.46097 4.83078 4.84198 4.85452 4.87229 23.53757 23.60335 23.80685 23.83983 23.85474 23.87951 23.94947 23.95314 23.96757 23.97382 23.97973 23.98517 24.00216 24.01241 24.02537 24.11863 24.13586 24.19388 24.20283 24.24105 25.13491 35.54251 1-A. Mulliken charges: 1 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 N C C C C C C C C C C C C C C C C C C C C C H H H H H H H H H H H H H H H H H H H H H H H H H 0.009305 -0.806404 0.745463 0.855923 0.439925 0.415010 -0.628715 -0.340012 -0.676248 -0.273400 -0.254708 -0.425021 -0.192577 -0.643186 -0.415692 -0.650821 -0.216936 -0.550491 -0.383465 0.133519 -0.130928 0.019036 0.154328 0.182649 0.156956 0.186054 0.155830 0.156639 0.149343 0.150625 0.136272 0.157101 0.163008 0.156692 0.159586 0.155818 0.158396 0.156531 0.152047 0.152571 0.159986 0.153683 0.157608 0.164270 0.161297 0.162153 0.170982 -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 N C C C C C C C C C C C C C C C C C C C C C 0.009305 -0.469427 0.745463 0.855923 0.439925 0.415010 -0.285704 -0.184182 -0.519609 0.162840 -0.097607 -0.262013 -0.035884 -0.169387 0.045457 -0.179545 -0.052666 -0.389195 -0.221312 0.133519 0.040053 0.019036 -0.00000 2.19851229e-01 1.68966256e-01 -2.94640312e-01 4.59281259e+02 -6.82064358e+01 3.07261942e+02 7.38041735e+00 -2.78082306e+01 4.26825633e+02 -7.8117 -0.0006 -0.0003 0.0004 4.5540 7.7464 15.6376 17.9427 38.8152 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 50 51 52 53 54 55 56 57 58 59 60 61 62 63 64 65 66 67 68 69 70 71 72 73 74 75 76 77 78 79 80 81 82 83 84 85 86 87 88 89 90 91 92 93 94 95 96 97 98 99 100 101 102 103 104 105 106 107 108 109 110 111 112 113 114 115 116 117 118 119 120 121 122 123 124 125 126 127 128 129 130 131 132 133 134 135 A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A 14.8890 17.7258 38.7870 48.1415 55.3654 72.9973 91.8579 117.3461 149.5283 152.7947 177.9259 192.3639 236.1723 239.7328 249.3845 269.2802 289.4259 296.2171 299.3858 303.8511 354.0736 361.2323 373.7854 392.7242 415.6040 417.5540 441.5534 444.9609 455.1724 479.8451 518.8444 520.6605 549.2363 559.0741 571.3893 589.4520 624.8666 659.9094 691.7479 739.6776 746.3994 789.9811 802.1815 805.7101 819.7327 846.2250 869.3108 882.7021 895.0645 935.6724 937.5957 938.0523 956.6613 974.0664 977.8533 978.9742 991.8114 996.4967 1003.2888 1022.7532 1040.0058 1051.9798 1053.8232 1059.3622 1102.2930 1108.5511 1115.4985 1132.5646 1160.3699 1165.7952 1184.9426 1190.3454 1211.3178 1216.4565 1219.5262 1231.0090 1251.6715 1263.8510 1282.6350 1287.6304 1303.3671 1318.0621 1337.1715 1380.6436 1385.3720 1392.4449 1393.0514 1393.5431 1408.6422 1417.4306 1422.5249 1460.2156 1468.8804 1469.0797 1472.5883 1473.3854 1474.0060 1483.2646 1484.0920 1484.2701 1488.5794 1495.4632 1498.3190 1508.7312 1544.7483 1610.4457 1630.4418 1657.2540 1683.4079 2302.1137 2942.0626 2948.8417 2996.9306 3020.8007 3021.7978 3027.4408 3031.3179 3066.3178 3068.1665 3090.4426 3091.0230 3094.9256 3095.9899 3097.4969 3104.4767 3109.4237 3129.2797 3156.6219 3162.4803 3165.2558 3170.2791 3173.9263 3185.7854 3187.3851 3204.3948 4.0499 2.9162 4.5680 4.3557 4.6797 3.7578 3.5731 2.8207 2.7090 3.3885 3.5952 3.7012 2.7136 1.0383 3.1220 1.2487 2.8997 1.1152 2.5476 1.1832 2.8084 2.5811 2.4419 2.3848 3.3355 2.9873 2.6036 3.7739 3.1151 3.2943 5.3767 5.7902 3.8951 3.5575 5.3069 4.3915 4.0829 4.3530 3.9431 1.7548 2.3100 2.2381 5.2313 1.6839 1.8423 2.5142 2.0555 2.7850 3.0258 1.8251 1.4977 1.7802 1.5579 1.4771 1.2131 1.3478 1.8035 1.3335 1.3039 2.3320 3.1052 1.3783 1.3797 2.6246 2.1771 2.4517 3.0046 2.6516 1.5149 1.3157 1.1311 1.4075 1.5859 2.5551 2.5904 2.2525 1.4167 1.5735 2.1650 2.1081 1.5471 1.2891 1.3340 3.8296 1.8307 1.8329 1.2296 1.2142 1.4492 1.2140 1.8972 1.1791 2.0322 1.0527 1.0427 1.0427 1.1070 1.0594 1.0500 1.0504 2.2486 1.0574 1.0684 1.1373 3.0199 7.0362 4.9229 5.8484 5.8806 11.9333 1.0597 1.0694 1.0694 1.0337 1.0341 1.0351 1.0894 1.0846 1.0799 1.1032 1.1028 1.1020 1.1038 1.1033 1.1031 1.1046 1.0884 1.0892 1.0867 1.0865 1.0909 1.0902 1.0972 1.0962 1.0930 0.0005 0.0005 0.0040 0.0059 0.0085 0.0118 0.0178 0.0229 0.0357 0.0466 0.0671 0.0807 0.0892 0.0352 0.1144 0.0533 0.1431 0.0577 0.1345 0.0644 0.2074 0.1984 0.2010 0.2167 0.3394 0.3069 0.2991 0.4402 0.3803 0.4469 0.8528 0.9248 0.6923 0.6551 1.0208 0.8990 0.9393 1.1169 1.1117 0.5657 0.7582 0.8229 1.9834 0.6440 0.7294 1.0608 0.9152 1.2785 1.4283 0.9414 0.7757 0.9229 0.8400 0.8257 0.6835 0.7611 1.0453 0.7802 0.7733 1.4372 1.9788 0.8987 0.9027 1.7354 1.5585 1.7752 2.2028 2.0039 1.2018 1.0535 0.9357 1.1750 1.3710 2.2277 2.2698 2.0111 1.3077 1.4808 2.0986 2.0593 1.5484 1.3195 1.4053 4.3009 2.0702 2.0938 1.4058 1.3893 1.6942 1.4370 2.2619 1.4812 2.5834 1.3386 1.3323 1.3336 1.4170 1.3733 1.3625 1.3634 2.9357 1.3933 1.4132 1.5253 4.2458 10.7518 7.7104 9.4638 9.8187 37.2618 5.4044 5.4790 5.6590 5.5579 5.5632 5.5895 5.8979 6.0083 5.9898 6.2077 6.2078 6.2193 6.2337 6.2369 6.2638 6.2924 6.2792 6.3943 6.4038 6.4135 6.4601 6.4705 6.5608 6.5613 6.6124 0.1722 0.0451 0.2054 0.9692 0.6673 3.6815 1.4615 0.8001 2.5424 0.5289 2.2809 0.3289 1.4092 0.0397 1.2344 2.5726 3.6182 0.1846 2.2981 0.1903 3.4391 3.5007 0.5356 14.0981 5.0112 7.8068 9.6932 3.8630 3.3504 1.0078 2.0784 1.0613 8.2133 10.7648 2.5104 1.1373 5.0960 10.1411 1.4153 9.1113 0.8800 88.3856 2.8612 112.3491 40.7487 6.8687 16.0440 4.0981 17.4242 1.3944 4.7839 0.3271 37.7434 32.9357 0.8848 5.0985 52.1195 4.2675 1.4693 45.1478 30.4854 1.8800 0.3813 11.3845 7.0451 3.9533 4.0257 34.2608 9.4948 2.8572 1.6589 6.6481 15.6276 13.5096 15.7125 2.7519 16.4037 2.4499 41.6594 38.6838 20.8207 2.4792 22.3426 2.5206 10.2209 11.9153 7.3425 8.7501 69.1164 0.1030 5.0552 0.7336 0.3998 0.0553 0.0598 0.0181 7.2141 21.9949 15.9529 15.3874 1.1472 13.1116 10.6003 6.6681 15.3262 0.5146 5.1827 0.5066 0.4483 6.3304 111.5214 184.4768 127.0678 46.7966 42.1064 46.0916 27.2879 9.6180 87.0827 6.3428 8.8207 131.8776 26.6899 84.0362 54.8212 49.7632 12.1381 17.9674 1.7116 1.2344 22.0690 17.3416 42.6207 27.9831 17.4979 -0.02 0.00 0.00 0.01 0.00 0.09 -0.02 -0.00 0.03 0.03 0.01 -0.02 -0.01 -0.02 -0.08 -0.00 -0.03 0.09 -0.01 0.07 -0.05 -0.10 -0.04 0.01 0.13 0.05 -0.00 -0.02 0.00 0.01 -0.10 -0.06 -0.10 -0.15 -0.07 -0.06 0.03 -0.01 -0.13 -0.03 0.05 0.10 0.02 -0.06 0.19 0.02 -0.10 0.04 -0.01 0.03 -0.04 0.17 0.06 -0.05 0.12 0.03 -0.12 -0.01 -0.00 0.04 -0.02 0.06 -0.01 -0.02 0.02 0.01 0.09 0.06 0.12 -0.03 -0.05 0.17 -0.01 0.15 -0.02 -0.01 0.08 -0.13 -0.14 -0.05 0.04 0.16 0.07 0.04 -0.03 -0.00 -0.04 -0.03 -0.04 0.04 0.01 0.04 0.03 -0.14 -0.08 -0.15 -0.21 -0.10 -0.07 -0.00 -0.03 -0.18 -0.04 0.07 0.04 -0.05 0.10 0.14 -0.02 0.03 0.14 0.03 -0.08 0.22 0.04 -0.11 0.18 -0.00 -0.01 0.23 0.01 -0.08 -0.03 0.04 -0.15 0.03 0.03 -0.12 0.07 -0.00 -0.04 -0.05 0.24 0.10 -0.04 0.16 0.04 -0.15 -0.04 0.13 -0.00 0.01 0.01 0.02 0.00 0.01 -0.03 0.01 0.02 -0.02 -0.01 -0.00 -0.02 0.01 0.01 -0.00 -0.00 -0.00 -0.01 0.00 -0.02 0.04 0.04 0.05 -0.01 -0.03 -0.04 -0.02 0.00 0.00 0.02 0.03 0.05 0.00 0.05 0.07 0.00 -0.01 -0.01 -0.00 0.03 0.20 -0.07 0.04 -0.07 0.19 -0.09 -0.14 -0.15 0.00 -0.00 0.04 -0.05 -0.06 -0.02 -0.04 -0.04 -0.01 0.00 -0.00 0.01 0.00 -0.02 0.03 0.00 -0.01 0.02 -0.02 -0.02 -0.04 0.01 0.03 -0.05 -0.00 -0.05 0.02 -0.00 -0.02 0.07 0.05 0.07 -0.01 -0.04 -0.05 -0.03 0.01 0.00 0.04 0.01 0.02 0.00 -0.00 -0.02 0.01 0.04 0.06 0.01 0.07 0.09 0.01 0.00 0.01 0.01 0.00 0.25 -0.20 0.10 0.30 0.03 0.03 0.20 -0.08 0.04 -0.08 0.19 0.02 -0.21 0.23 0.08 0.03 0.29 -0.12 -0.10 -0.29 -0.12 -0.28 -0.11 -0.10 -0.15 -0.17 0.00 0.03 0.04 -0.07 -0.09 -0.02 -0.05 -0.06 -0.01 0.01 -0.05 0.02 0.00 -0.02 0.04 -0.09 -0.02 -0.06 -0.11 -0.05 -0.06 -0.09 -0.01 -0.04 -0.07 0.03 -0.02 0.11 0.05 0.02 0.06 -0.14 0.06 -0.12 -0.09 -0.06 -0.10 0.02 -0.03 0.04 0.04 0.09 -0.08 -0.01 -0.02 -0.10 -0.08 -0.04 -0.04 0.11 0.01 0.07 0.09 0.05 0.18 0.04 0.04 0.11 0.05 0.02 0.04 -0.12 0.01 -0.07 0.09 -0.01 -0.04 0.15 0.01 0.09 -0.00 -0.01 0.07 -0.10 -0.02 0.07 -0.05 -0.03 -0.15 -0.08 -0.10 -0.09 0.08 -0.11 0.08 -0.22 0.03 0.09 -0.14 0.17 -0.13 -0.13 -0.07 -0.13 -0.02 -0.05 0.10 0.04 0.15 -0.00 0.11 0.08 0.04 0.00 0.08 -0.06 0.01 -0.01 -0.11 -0.11 -0.05 -0.01 0.15 0.03 0.02 0.10 0.04 0.07 0.09 0.05 0.09 0.13 0.08 0.19 0.07 0.07 0.21 0.01 0.02 0.17 0.04 0.04 0.06 0.05 0.01 0.14 0.02 0.01 0.12 0.08 0.06 0.01 -0.10 0.01 -0.08 0.11 -0.01 -0.01 0.21 0.03 0.10 -0.11 -0.02 0.06 0.02 -0.01 0.03 0.02 -0.09 0.03 0.00 -0.07 0.02 0.03 -0.04 0.00 -0.03 -0.03 -0.06 -0.01 0.00 0.01 -0.04 0.08 0.02 -0.06 -0.07 0.04 0.11 -0.04 0.04 0.03 -0.08 -0.01 -0.11 -0.04 -0.00 -0.12 -0.06 0.00 0.00 -0.00 0.06 -0.03 -0.09 -0.10 0.00 -0.03 -0.18 0.01 -0.01 0.03 -0.03 0.15 0.04 0.15 -0.01 0.02 0.09 0.01 -0.02 -0.02 0.13 0.00 -0.02 0.19 0.00 -0.02 0.19 -0.02 -0.03 -0.12 0.05 0.08 -0.14 -0.06 -0.10 0.05 0.01 -0.04 0.13 0.02 -0.08 -0.09 0.05 0.16 -0.05 0.07 0.03 -0.02 0.08 0.08 -0.15 -0.04 -0.02 -0.12 -0.03 -0.16 -0.03 -0.01 -0.18 -0.07 -0.01 -0.04 0.01 0.09 -0.03 -0.07 0.15 -0.04 -0.08 0.03 -0.01 -0.20 -0.14 0.01 -0.14 -0.19 0.02 0.03 -0.02 -0.01 -0.02 -0.15 0.01 0.01 -0.26 0.03 0.05 -0.21 0.03 -0.12 0.06 -0.04 0.16 0.05 0.22 -0.00 0.02 0.12 0.03 -0.02 -0.01 0.18 -0.06 -0.05 0.04 -0.03 -0.05 -0.05 0.01 0.01 -0.04 0.03 0.06 -0.02 0.06 0.12 0.00 -0.04 -0.12 -0.01 -0.05 -0.07 0.04 0.03 0.03 -0.03 0.01 0.07 -0.02 -0.06 -0.11 0.10 0.09 0.14 0.01 0.07 0.10 -0.01 0.08 0.18 0.02 -0.06 -0.15 0.02 -0.06 -0.13 0.01 0.03 -0.15 -0.01 -0.05 -0.02 0.00 0.04 0.14 0.00 0.08 0.20 0.02 -0.04 -0.07 -0.04 -0.03 -0.01 -0.02 -0.03 -0.02 -0.05 -0.05 -0.12 -0.08 0.00 -0.03 -0.10 -0.01 -0.12 0.02 -0.07 -0.08 0.10 0.02 0.00 -0.05 -0.02 0.03 -0.04 -0.09 -0.11 0.15 -0.07 -0.09 0.10 -0.02 -0.17 0.09 0.12 0.19 0.03 0.09 0.12 -0.01 0.11 0.22 0.04 -0.03 -0.14 0.01 -0.12 -0.13 0.02 -0.06 -0.19 0.05 -0.06 -0.15 0.02 -0.06 -0.13 0.01 -0.08 -0.12 0.02 0.05 -0.14 -0.02 0.05 -0.14 -0.03 0.03 -0.18 0.03 -0.08 -0.02 -0.00 0.04 0.16 0.00 0.10 0.25 0.04 0.00 -0.01 -0.02 -0.02 -0.01 0.06 0.01 -0.01 -0.07 0.04 0.03 -0.06 0.01 0.02 -0.03 -0.02 -0.07 -0.02 0.01 0.04 -0.00 -0.01 -0.06 0.08 0.06 -0.00 -0.05 0.01 0.08 -0.03 -0.02 -0.09 0.14 -0.00 -0.11 -0.02 0.04 -0.06 -0.03 -0.07 -0.12 0.00 -0.01 -0.01 0.02 -0.12 0.02 0.05 0.15 -0.03 -0.03 -0.02 0.05 0.03 -0.04 0.04 -0.01 -0.08 -0.07 0.00 0.02 0.17 -0.05 0.03 0.11 -0.01 0.02 0.17 -0.05 -0.03 -0.10 -0.12 0.05 0.04 -0.14 0.04 -0.15 0.05 -0.06 -0.08 0.19 0.08 0.00 -0.07 0.04 0.17 -0.04 -0.07 -0.09 0.23 -0.03 -0.06 0.13 0.03 -0.18 0.12 -0.03 -0.18 -0.01 0.05 -0.09 -0.03 -0.09 -0.20 0.01 0.09 0.00 -0.02 -0.10 0.04 0.04 -0.02 -0.13 0.07 -0.12 -0.11 0.10 -0.10 0.06 0.03 -0.22 0.07 0.07 0.24 -0.01 -0.06 0.17 0.01 -0.04 0.14 -0.15 0.02 -0.08 0.07 0.02 -0.04 0.09 -0.01 -0.12 -0.12 0.02 0.08 0.10 -0.00 -0.01 0.05 0.04 0.05 0.05 -0.03 0.06 0.07 -0.02 0.03 0.04 -0.01 -0.01 -0.05 -0.00 -0.02 -0.02 -0.02 -0.02 0.05 0.05 0.08 0.05 -0.02 0.05 0.11 -0.00 -0.02 -0.02 0.08 -0.00 -0.10 -0.01 0.05 -0.03 -0.01 -0.04 -0.09 0.01 -0.11 0.07 0.05 0.17 -0.00 -0.04 -0.05 0.04 0.02 -0.03 0.08 0.03 0.02 0.09 0.01 -0.02 -0.02 0.02 -0.06 -0.14 -0.08 -0.04 -0.12 -0.04 -0.06 -0.14 -0.08 0.03 0.00 -0.05 0.07 0.05 -0.06 -0.00 0.00 0.04 -0.05 0.04 0.09 0.10 0.08 -0.03 0.09 0.20 -0.00 -0.07 -0.03 0.13 -0.02 -0.02 0.07 0.01 -0.09 0.07 -0.04 -0.17 -0.00 0.05 -0.05 -0.01 -0.07 -0.16 0.01 -0.26 0.06 0.07 -0.09 0.03 0.02 -0.07 0.19 0.12 0.21 0.11 0.04 0.24 -0.06 -0.09 0.18 -0.04 -0.07 -0.18 0.03 0.04 0.02 -0.02 -0.02 -0.01 0.15 0.08 -0.03 0.25 0.06 0.04 0.16 0.02 -0.04 -0.03 0.03 -0.05 -0.30 -0.09 -0.05 -0.01 -0.02 -0.00 -0.01 -0.02 0.01 0.02 -0.02 -0.00 0.02 -0.01 -0.01 -0.01 -0.00 0.01 -0.01 0.04 0.03 0.04 -0.14 0.02 0.02 -0.02 -0.01 0.05 -0.01 -0.02 -0.08 0.20 0.01 -0.00 0.00 0.03 0.02 -0.01 -0.04 -0.03 0.01 0.10 -0.01 -0.03 0.03 0.00 -0.00 -0.11 0.03 0.04 0.03 -0.09 -0.14 -0.03 0.03 -0.00 -0.05 -0.02 0.01 0.03 -0.05 0.11 0.00 0.07 -0.04 0.02 -0.01 0.05 0.03 -0.01 -0.01 -0.00 -0.03 -0.00 0.04 0.18 -0.08 0.09 0.07 -0.26 0.03 0.03 -0.03 0.01 0.09 -0.02 -0.09 -0.08 0.19 -0.11 -0.13 0.33 0.18 -0.08 0.25 0.01 -0.01 0.01 0.05 0.03 -0.00 -0.04 -0.06 0.02 0.08 -0.02 0.01 0.19 -0.04 -0.03 0.08 0.05 -0.12 0.01 0.05 -0.08 -0.02 -0.00 0.04 0.11 -0.03 -0.00 -0.13 0.02 0.08 -0.18 0.03 0.09 -0.13 0.08 -0.05 0.05 -0.30 -0.18 -0.03 0.06 0.00 -0.07 -0.04 0.01 -0.04 0.29 0.01 0.00 0.04 0.00 0.04 0.04 -0.01 0.02 0.01 -0.02 0.01 -0.01 -0.01 0.03 0.02 0.00 0.01 0.02 0.04 0.00 0.08 -0.01 -0.00 -0.05 -0.02 -0.04 -0.09 -0.03 0.00 -0.02 0.09 0.01 -0.04 -0.01 -0.02 -0.11 -0.02 0.05 0.08 0.02 0.08 -0.02 -0.02 -0.08 0.01 0.04 -0.02 0.00 0.02 0.00 0.18 -0.03 -0.04 -0.07 -0.01 0.03 0.05 0.01 0.02 0.04 0.07 -0.05 -0.11 -0.09 -0.02 -0.02 -0.02 0.05 0.04 -0.00 0.03 0.04 0.01 0.05 0.04 -0.02 -0.06 0.06 0.02 -0.00 -0.07 -0.03 -0.09 -0.16 -0.04 -0.06 -0.03 0.10 -0.03 -0.06 0.14 0.09 -0.05 0.11 0.00 -0.05 -0.00 -0.05 -0.17 -0.04 0.09 0.15 0.04 0.16 -0.02 -0.02 0.10 -0.01 -0.00 0.05 -0.07 -0.08 -0.11 -0.03 -0.04 -0.15 0.03 0.09 -0.05 0.02 0.06 0.04 0.00 0.02 -0.08 0.03 0.06 -0.05 -0.03 -0.04 0.03 0.50 0.04 -0.09 -0.14 -0.03 0.04 0.09 0.03 -0.12 -0.43 -0.18 0.03 0.05 0.02 0.04 0.05 -0.02 0.03 0.01 -0.03 0.04 0.03 -0.02 0.06 0.06 0.01 -0.05 -0.04 -0.04 0.02 0.07 0.02 -0.02 -0.11 -0.05 -0.04 -0.07 -0.04 0.03 0.01 0.08 0.04 -0.02 -0.01 -0.03 -0.15 -0.04 0.07 0.10 0.03 -0.14 0.01 0.04 0.07 -0.02 -0.04 -0.03 -0.01 -0.01 0.02 0.01 0.04 -0.08 -0.13 -0.03 -0.01 -0.01 0.01 -0.06 -0.06 -0.07 0.03 0.17 0.09 -0.00 0.06 0.03 0.04 0.03 -0.03 0.04 0.07 -0.02 -0.01 0.12 0.03 0.04 0.08 -0.04 -0.04 -0.18 -0.07 -0.08 -0.15 -0.06 0.01 0.01 0.12 0.01 0.02 0.09 0.08 -0.03 0.08 0.04 -0.01 0.00 -0.07 -0.26 -0.06 0.11 0.16 0.05 -0.24 0.01 0.04 -0.18 -0.01 0.02 -0.10 0.07 0.12 0.10 0.05 0.01 0.13 -0.06 -0.08 0.07 -0.05 -0.06 -0.12 -0.02 -0.01 0.04 -0.06 -0.06 0.01 0.05 0.06 0.01 -0.21 -0.01 -0.16 -0.25 -0.05 -0.03 -0.03 0.02 0.07 0.40 0.15 0.02 0.03 -0.02 0.02 0.03 0.00 0.01 -0.00 -0.01 -0.06 -0.14 -0.03 -0.06 -0.14 -0.02 -0.04 0.04 -0.03 0.04 0.05 -0.06 0.10 0.14 0.02 -0.07 -0.15 -0.03 0.04 0.03 0.07 -0.04 -0.13 -0.02 0.05 0.04 0.01 0.01 0.01 0.01 -0.10 0.03 0.02 -0.08 0.02 0.00 0.05 -0.00 -0.03 0.03 -0.09 -0.01 0.02 0.03 0.00 0.09 0.16 0.03 -0.03 0.05 -0.05 -0.01 -0.04 0.06 -0.01 -0.04 0.06 0.04 0.05 0.02 0.01 0.02 0.03 -0.01 0.15 -0.02 0.12 0.07 -0.17 0.19 0.30 0.04 -0.12 -0.24 -0.04 0.03 0.03 0.05 -0.02 0.01 0.15 0.13 0.06 0.11 -0.07 -0.18 -0.02 0.09 0.11 0.02 0.04 0.06 0.01 -0.08 0.05 -0.02 -0.19 0.08 0.03 -0.09 -0.03 0.10 -0.08 -0.03 0.04 -0.06 0.04 -0.02 -0.14 0.05 0.01 0.07 0.01 -0.06 0.09 0.00 -0.07 0.06 -0.05 0.03 0.09 -0.20 -0.02 0.04 0.09 0.01 0.18 0.35 0.06 -0.03 0.06 0.08 -0.02 -0.02 0.04 -0.01 -0.01 0.00 -0.00 -0.00 0.00 -0.05 -0.08 -0.01 -0.05 -0.09 -0.02 0.04 -0.06 0.03 -0.05 -0.02 0.09 0.05 0.10 0.02 -0.06 -0.11 -0.01 -0.06 -0.04 -0.08 -0.06 -0.10 -0.02 0.01 0.03 0.01 -0.00 0.01 -0.00 0.10 -0.05 -0.02 0.14 -0.04 -0.02 -0.08 -0.00 0.04 -0.05 0.13 0.02 -0.00 -0.00 -0.00 0.05 0.09 0.01 0.03 -0.08 0.04 0.03 0.20 -0.05 0.02 0.14 -0.08 -0.03 -0.04 -0.01 0.00 -0.00 -0.02 0.01 -0.13 0.05 -0.15 -0.05 0.20 0.11 0.21 0.04 -0.09 -0.17 -0.02 -0.05 -0.04 -0.01 0.03 0.00 -0.19 -0.18 -0.11 -0.13 -0.08 -0.15 -0.03 0.03 0.07 0.01 0.02 0.05 0.00 0.04 -0.07 0.05 0.21 -0.12 -0.05 0.09 0.06 -0.10 0.14 0.07 -0.07 0.12 -0.09 0.01 0.25 -0.09 -0.03 -0.14 -0.02 0.08 -0.11 -0.03 0.07 -0.08 0.09 -0.01 -0.14 0.13 -0.00 0.01 0.02 0.00 0.11 0.21 0.03 0.09 0.23 -0.03 0.07 -0.04 -0.01 -0.02 -0.05 -0.01 -0.06 -0.11 -0.02 -0.04 -0.08 -0.02 -0.02 -0.05 -0.01 -0.04 -0.02 -0.00 0.07 -0.04 -0.02 -0.04 -0.08 -0.02 -0.01 -0.01 -0.01 0.12 0.05 0.06 0.04 0.08 0.01 0.04 0.06 0.01 -0.04 -0.07 -0.01 -0.09 0.00 0.03 -0.01 -0.02 -0.01 -0.08 -0.00 0.00 0.06 0.15 -0.02 0.03 0.07 0.01 -0.00 0.00 -0.00 -0.02 -0.01 -0.01 0.01 0.05 -0.01 0.02 0.09 0.04 -0.04 -0.04 -0.01 -0.04 0.00 -0.01 0.13 -0.12 -0.05 -0.04 -0.07 0.07 -0.06 -0.11 -0.02 -0.00 0.01 -0.01 0.12 0.04 -0.20 0.01 -0.12 0.26 0.26 0.30 0.18 0.10 0.19 0.03 0.09 0.17 0.03 -0.05 -0.10 -0.01 -0.24 -0.04 0.12 -0.03 -0.10 -0.03 -0.05 0.16 0.05 0.03 -0.03 0.10 0.08 0.01 -0.08 -0.11 -0.02 -0.04 -0.06 -0.01 0.03 -0.13 0.02 0.04 -0.10 0.00 -0.06 0.09 0.33 0.02 0.07 0.16 0.02 0.00 0.02 0.00 -0.05 -0.12 -0.07 -0.01 0.01 0.00 0.00 0.01 0.00 0.01 0.01 0.00 0.00 0.01 0.00 0.00 0.01 0.00 0.00 0.00 -0.00 -0.01 0.01 0.00 0.00 0.01 0.00 -0.00 -0.00 -0.00 -0.01 -0.01 -0.01 -0.00 -0.01 -0.00 -0.00 -0.01 -0.00 0.00 0.01 0.00 0.01 0.01 -0.01 -0.00 -0.00 0.01 0.01 -0.01 -0.01 -0.01 -0.02 0.00 -0.00 -0.01 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.01 0.00 -0.00 -0.01 -0.00 0.01 0.01 0.00 0.01 0.00 0.00 -0.02 0.02 0.01 0.01 0.01 -0.01 0.01 0.01 0.00 -0.00 -0.01 -0.00 -0.02 -0.01 0.03 -0.00 0.01 -0.03 -0.03 -0.04 -0.02 -0.01 -0.02 -0.00 -0.01 -0.02 -0.00 0.01 0.01 0.00 -0.25 -0.09 0.22 0.23 -0.23 -0.15 0.05 0.36 -0.10 0.08 -0.10 0.28 0.20 0.07 -0.17 -0.28 0.02 -0.05 0.34 -0.02 0.07 -0.19 0.22 0.12 -0.11 -0.24 -0.23 -0.01 -0.04 -0.00 -0.01 -0.02 -0.00 0.00 0.00 0.00 0.01 0.01 0.01 -0.03 0.05 0.02 -0.06 0.04 -0.08 0.02 0.04 0.01 0.02 0.02 0.03 0.02 0.01 0.02 -0.03 -0.00 0.03 0.01 -0.13 0.05 0.05 0.01 0.02 0.05 -0.02 0.03 0.03 0.21 0.04 0.02 -0.05 0.02 0.03 -0.05 0.02 0.05 0.00 -0.01 -0.02 -0.00 0.03 -0.07 -0.00 0.04 -0.10 0.03 0.04 -0.05 -0.11 -0.09 0.07 -0.06 -0.00 0.07 -0.04 -0.01 -0.01 0.00 0.01 -0.01 0.01 -0.11 -0.04 0.02 -0.12 -0.16 -0.03 -0.13 0.01 0.10 -0.20 0.08 -0.30 -0.02 0.05 -0.13 0.27 0.07 0.01 -0.00 0.05 -0.04 0.05 0.16 0.22 -0.05 -0.05 0.24 0.12 0.05 0.34 0.09 -0.00 -0.10 0.02 0.02 -0.08 0.01 0.04 0.02 -0.04 -0.04 -0.02 0.05 0.00 -0.03 0.01 -0.02 0.03 0.01 -0.09 -0.03 -0.01 -0.12 -0.01 0.09 -0.03 0.01 0.07 -0.09 0.02 0.08 -0.16 0.05 0.08 -0.12 0.06 -0.04 -0.14 -0.18 -0.12 0.06 -0.10 -0.00 0.08 -0.05 -0.03 0.02 0.09 -0.08 0.02 0.03 0.01 0.00 0.03 -0.01 -0.02 -0.03 -0.00 -0.02 -0.03 0.00 -0.01 -0.02 0.00 -0.01 0.00 0.00 0.03 0.03 -0.00 -0.02 -0.05 -0.00 0.00 -0.02 0.01 0.01 -0.01 0.01 0.02 0.04 0.02 0.01 0.01 0.01 -0.01 -0.03 -0.01 -0.02 0.00 0.01 -0.03 0.00 0.01 -0.03 0.01 0.01 0.01 0.00 -0.03 0.03 0.02 0.01 0.02 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.03 -0.00 -0.00 -0.02 -0.01 0.04 -0.01 -0.01 0.06 -0.01 0.05 0.03 0.00 0.05 0.03 -0.00 -0.03 -0.06 -0.01 0.00 -0.02 0.01 0.13 0.01 0.56 0.08 0.42 -0.31 -0.18 -0.49 -0.20 0.06 0.10 0.03 0.04 0.05 0.02 -0.02 -0.04 -0.02 -0.02 0.01 0.00 -0.03 0.01 0.01 -0.01 -0.00 0.03 -0.03 -0.02 0.00 -0.04 0.01 0.01 -0.04 0.01 0.01 -0.04 0.01 0.01 -0.03 0.01 0.01 -0.03 0.03 -0.00 0.00 -0.02 -0.04 0.05 0.05 0.01 0.03 0.01 -0.00 -0.00 0.03 -0.02 0.04 -0.06 -0.08 -0.00 -0.04 -0.02 0.03 0.06 0.04 0.02 0.08 0.05 -0.01 0.06 0.02 -0.02 -0.01 -0.01 0.07 -0.13 -0.07 0.02 0.13 0.05 0.01 0.04 0.05 0.05 -0.08 -0.01 -0.11 -0.06 -0.01 -0.07 0.01 0.00 0.01 0.08 -0.00 -0.08 -0.00 0.04 -0.02 -0.01 -0.02 -0.04 -0.02 -0.02 0.09 0.02 -0.07 -0.02 -0.05 0.01 -0.01 -0.01 -0.01 0.01 0.01 0.01 0.03 -0.02 -0.01 0.05 0.08 0.09 -0.02 -0.00 -0.01 0.02 -0.08 -0.03 0.13 -0.26 -0.12 0.03 -0.15 0.08 0.02 0.18 0.09 0.02 0.05 0.06 0.08 -0.07 0.20 0.05 0.07 -0.10 0.03 -0.28 -0.08 -0.19 -0.21 -0.05 -0.12 -0.06 -0.01 0.01 0.11 -0.01 -0.25 -0.05 0.16 -0.03 -0.13 -0.05 -0.03 0.19 0.07 -0.03 0.00 -0.05 -0.04 -0.00 -0.00 0.00 -0.01 -0.02 -0.20 -0.01 -0.08 0.03 -0.14 -0.07 0.01 0.09 0.06 0.15 0.20 -0.02 -0.04 -0.15 0.01 -0.02 -0.05 -0.03 -0.08 -0.20 -0.07 -0.02 0.02 -0.00 -0.01 0.01 -0.01 -0.01 -0.01 -0.00 -0.01 -0.01 -0.00 -0.00 -0.01 0.00 0.00 0.00 0.00 -0.02 0.02 0.00 -0.00 -0.02 -0.01 0.00 -0.01 -0.00 -0.02 0.01 0.01 0.02 0.01 0.01 0.01 -0.00 0.00 -0.00 -0.01 -0.00 0.03 -0.00 -0.02 -0.04 0.00 0.01 0.04 -0.01 -0.00 -0.01 -0.01 0.01 0.01 0.00 -0.00 0.01 -0.00 -0.00 0.00 0.02 0.00 -0.01 -0.00 0.01 -0.01 -0.00 0.00 -0.02 0.01 -0.01 -0.01 0.02 -0.02 -0.03 0.03 0.01 -0.00 0.02 -0.02 -0.00 -0.03 -0.01 0.00 -0.01 0.00 -0.02 0.01 -0.01 -0.02 -0.00 0.02 -0.00 0.03 0.01 0.03 0.03 0.01 0.02 0.01 0.00 -0.00 -0.02 -0.01 -0.24 -0.11 0.24 0.29 -0.28 -0.18 0.06 0.38 -0.15 -0.07 -0.00 -0.08 -0.11 -0.01 0.07 0.04 0.01 0.03 -0.30 0.01 -0.12 0.30 -0.27 -0.17 0.18 0.21 0.28 -0.01 -0.02 0.01 0.02 0.01 0.00 0.01 0.00 -0.00 0.00 0.00 0.01 0.07 -0.06 0.11 0.08 -0.05 0.14 0.03 -0.00 -0.01 0.04 -0.00 -0.05 0.04 -0.00 -0.04 -0.01 0.01 0.01 0.05 0.01 0.06 -0.01 0.03 -0.01 -0.03 0.04 -0.06 0.06 -0.01 -0.05 0.01 -0.01 -0.05 -0.01 0.01 -0.02 0.00 0.02 0.03 -0.04 0.02 0.04 -0.09 -0.01 0.04 -0.04 0.03 0.02 0.01 -0.04 -0.03 -0.09 0.04 -0.01 -0.08 0.03 0.02 0.01 -0.00 -0.02 0.03 -0.00 -0.06 -0.01 -0.03 -0.11 0.20 -0.04 0.17 0.01 -0.07 0.25 0.10 0.09 0.09 0.05 0.01 -0.02 -0.01 0.05 0.00 -0.03 0.07 -0.11 0.10 -0.01 -0.11 0.12 -0.02 -0.11 -0.07 0.05 -0.06 -0.01 -0.01 -0.08 -0.03 0.00 -0.03 0.03 0.01 0.09 -0.19 -0.03 0.14 0.04 -0.10 -0.04 -0.00 0.20 0.03 -0.20 0.01 -0.27 -0.34 -0.07 0.27 0.19 0.02 0.15 0.02 0.01 0.08 -0.11 0.09 0.07 -0.07 0.01 -0.06 -0.06 -0.14 -0.06 -0.13 0.05 -0.02 -0.11 0.03 0.06 0.08 0.08 -0.03 -0.02 0.02 -0.03 -0.02 0.01 -0.04 -0.01 -0.00 0.00 -0.01 -0.00 0.01 -0.01 -0.00 0.01 0.00 -0.00 -0.00 -0.01 0.00 -0.02 -0.00 -0.01 0.00 0.01 -0.01 0.02 -0.02 0.00 0.01 -0.00 0.00 0.01 0.01 0.00 0.01 -0.00 -0.01 -0.01 -0.03 0.02 0.02 0.03 0.00 -0.02 0.05 -0.03 -0.01 -0.00 0.01 0.01 0.02 -0.01 0.00 0.02 -0.01 -0.01 -0.01 0.00 -0.01 -0.01 0.00 0.02 0.00 0.01 0.03 -0.05 0.01 -0.05 -0.01 0.02 -0.07 -0.03 -0.01 -0.02 -0.01 0.00 -0.00 -0.00 -0.02 -0.00 0.01 -0.01 0.03 -0.03 0.00 0.03 -0.03 0.00 0.03 0.02 -0.02 0.02 0.01 0.01 0.02 0.01 0.01 0.01 -0.01 -0.00 -0.02 -0.13 -0.01 0.08 0.02 -0.06 -0.03 -0.00 0.13 0.02 -0.09 0.18 -0.45 -0.28 -0.13 0.27 0.49 -0.03 0.08 0.34 -0.03 0.04 -0.10 0.17 0.08 -0.05 -0.25 -0.17 0.02 0.04 0.02 0.04 -0.00 0.01 0.02 -0.01 -0.02 -0.02 -0.02 0.01 -0.08 -0.04 0.08 -0.03 -0.05 0.10 -0.01 -0.01 -0.01 0.04 -0.01 -0.05 0.06 -0.02 -0.02 -0.00 0.02 0.03 -0.02 -0.01 -0.02 0.02 0.00 -0.01 0.01 0.02 -0.07 -0.05 0.13 0.02 0.05 -0.04 -0.03 0.03 -0.02 0.00 0.04 -0.01 0.03 -0.01 -0.04 0.05 0.09 0.07 -0.09 0.00 -0.12 -0.09 -0.03 -0.01 -0.06 -0.03 0.02 -0.02 -0.02 -0.01 0.02 0.00 0.06 0.09 -0.06 -0.04 -0.02 0.01 0.07 0.11 0.07 -0.05 0.12 -0.08 -0.10 0.17 0.03 0.07 0.02 0.00 0.00 -0.08 0.05 0.01 -0.03 0.02 0.05 -0.09 0.17 0.15 0.12 -0.06 0.35 -0.09 -0.20 0.09 -0.04 0.04 -0.04 -0.05 0.02 -0.02 0.00 0.06 -0.01 0.07 0.01 -0.06 0.11 -0.06 -0.07 0.01 -0.00 -0.05 0.08 0.12 0.21 -0.06 0.15 0.13 -0.15 0.11 -0.06 -0.20 0.02 -0.05 -0.28 -0.01 -0.27 -0.06 -0.01 -0.20 -0.07 -0.01 0.09 -0.03 -0.07 0.04 -0.03 -0.05 -0.01 0.05 -0.15 -0.13 -0.06 -0.00 -0.04 0.05 -0.03 -0.04 -0.01 -0.01 -0.01 -0.00 0.01 0.01 -0.00 0.01 0.00 -0.00 -0.01 -0.06 0.03 0.01 -0.02 0.01 0.01 0.01 0.00 0.00 0.01 -0.00 0.01 0.02 -0.00 -0.00 -0.02 -0.00 0.01 0.00 0.00 0.01 0.01 0.00 0.02 0.19 -0.03 -0.10 -0.01 -0.12 0.11 -0.05 0.08 0.00 0.07 -0.06 -0.00 -0.01 -0.00 0.00 -0.00 -0.00 -0.01 -0.13 0.07 -0.02 0.08 -0.03 -0.01 -0.09 0.06 -0.06 -0.09 -0.03 -0.01 0.00 -0.05 0.10 -0.06 0.00 -0.06 -0.04 0.08 0.02 0.02 0.00 0.00 0.01 -0.00 0.07 0.03 0.00 0.02 0.08 -0.04 -0.06 0.03 -0.02 -0.02 -0.04 -0.01 0.00 0.00 0.00 0.01 0.02 0.00 -0.08 0.27 -0.27 0.14 0.35 0.14 0.03 0.24 -0.04 -0.12 -0.07 -0.15 -0.11 0.20 -0.16 -0.20 -0.11 -0.24 0.17 -0.06 0.11 0.19 0.03 0.00 0.13 -0.13 0.19 -0.03 0.03 -0.07 -0.01 -0.03 -0.01 -0.00 -0.01 -0.00 -0.09 0.15 -0.02 0.03 0.06 0.00 0.05 0.07 -0.03 0.02 0.03 0.01 -0.02 0.00 0.02 -0.03 0.01 0.01 0.05 0.02 0.07 0.01 0.02 0.05 -0.02 -0.02 -0.01 -0.02 -0.04 0.02 -0.02 -0.09 -0.04 -0.00 0.05 0.02 -0.02 -0.01 -0.01 -0.03 -0.03 -0.02 -0.02 0.03 0.14 -0.04 0.08 -0.11 -0.07 -0.11 -0.07 0.00 -0.04 0.00 0.02 0.01 0.01 0.02 0.02 -0.01 0.07 0.02 0.08 0.04 -0.01 -0.04 0.03 -0.03 -0.06 -0.00 0.05 -0.05 0.07 0.09 -0.07 0.01 -0.03 0.03 0.04 0.02 0.10 -0.04 -0.05 0.00 -0.04 -0.08 0.03 -0.21 -0.10 -0.18 0.04 -0.31 0.02 0.04 -0.01 0.00 0.02 0.08 0.04 -0.01 -0.02 -0.01 -0.06 -0.06 -0.04 -0.08 0.03 0.13 -0.10 0.03 0.12 0.03 0.05 0.25 -0.06 0.06 -0.15 -0.06 0.30 -0.14 -0.11 -0.05 -0.25 -0.10 -0.04 -0.26 -0.14 -0.31 0.02 -0.09 -0.12 -0.14 -0.05 -0.11 -0.02 0.05 0.02 0.02 0.04 0.03 -0.02 0.10 0.06 -0.01 0.00 -0.08 0.15 -0.09 -0.08 -0.09 -0.04 -0.05 -0.02 -0.04 0.01 0.03 -0.04 0.02 0.02 0.02 0.03 -0.01 0.03 0.11 0.00 0.04 0.01 -0.01 0.02 0.05 0.04 -0.00 -0.00 -0.02 -0.03 -0.05 0.02 0.04 0.01 0.00 0.01 0.07 -0.02 -0.01 -0.03 0.04 -0.01 0.02 0.03 -0.03 0.02 -0.04 0.04 0.05 0.00 0.02 -0.05 -0.01 0.01 -0.03 -0.04 0.03 0.01 -0.01 0.03 0.01 -0.00 0.02 -0.07 -0.01 -0.30 -0.32 -0.22 0.01 0.14 -0.33 0.07 0.40 0.13 0.01 0.13 -0.29 0.06 0.04 -0.02 0.06 0.10 0.08 0.05 -0.00 -0.10 0.06 -0.01 -0.09 -0.16 0.08 -0.04 -0.04 -0.12 0.05 0.08 0.03 0.01 0.03 0.15 -0.05 -0.01 -0.06 0.10 -0.08 -0.08 -0.02 -0.00 -0.05 0.08 -0.02 -0.02 0.03 -0.03 0.01 0.04 -0.03 0.06 0.05 -0.05 0.03 -0.08 -0.06 -0.04 -0.01 -0.04 0.04 -0.08 0.04 0.00 -0.01 0.04 -0.09 -0.01 0.02 -0.06 -0.06 0.02 0.05 0.01 0.11 -0.01 -0.09 0.04 -0.02 -0.02 -0.01 -0.08 -0.00 -0.01 -0.04 0.01 -0.02 -0.03 -0.01 -0.04 0.08 0.06 -0.02 -0.02 0.02 -0.01 0.01 0.01 0.03 0.07 0.03 0.17 -0.01 0.03 -0.05 -0.03 -0.02 -0.01 0.06 -0.01 0.03 0.08 0.01 0.06 -0.06 0.00 0.04 0.12 0.01 0.03 -0.07 -0.04 -0.07 0.05 0.02 -0.03 -0.04 0.02 -0.03 -0.02 -0.00 -0.08 0.02 0.02 -0.08 0.08 0.02 -0.14 -0.15 -0.08 0.04 0.06 0.01 0.01 -0.01 0.02 -0.05 -0.14 -0.03 -0.12 -0.05 0.12 -0.01 0.06 0.04 0.09 0.18 0.04 0.20 -0.01 0.14 0.07 0.08 0.08 0.27 -0.09 0.04 -0.06 -0.04 -0.03 0.03 0.14 0.01 0.09 0.19 0.04 0.20 -0.09 0.11 0.09 -0.12 -0.04 0.00 -0.12 -0.13 0.07 0.22 0.03 0.08 0.12 -0.02 0.07 0.05 -0.04 0.09 -0.00 -0.23 0.05 -0.17 -0.05 0.02 -0.20 0.01 -0.11 -0.13 -0.02 -0.03 -0.06 0.01 -0.02 -0.03 -0.01 -0.04 0.26 0.07 0.02 0.01 0.10 0.03 0.03 -0.02 0.05 0.06 0.02 0.02 0.03 0.02 0.01 0.03 0.00 -0.04 0.07 -0.04 0.06 -0.03 0.05 -0.01 -0.01 0.00 -0.05 -0.08 0.00 -0.02 -0.03 -0.04 0.01 0.06 0.00 -0.04 -0.03 -0.01 -0.05 -0.08 -0.02 -0.02 -0.07 -0.05 0.04 0.04 0.07 0.05 0.03 -0.06 0.01 0.04 -0.16 0.02 0.04 0.02 0.01 0.04 0.00 -0.04 0.01 0.02 -0.06 0.06 -0.06 -0.02 -0.14 0.17 -0.06 -0.08 -0.08 0.09 0.08 -0.13 0.26 -0.20 0.01 -0.02 -0.07 0.26 -0.05 -0.05 0.01 -0.11 -0.20 -0.02 -0.09 -0.04 -0.15 0.08 -0.15 -0.08 -0.11 0.04 -0.04 0.02 0.07 0.00 -0.08 -0.10 -0.03 -0.11 -0.20 -0.03 0.07 -0.11 0.07 -0.06 -0.15 -0.12 -0.05 -0.12 -0.09 0.07 0.09 0.10 0.07 -0.12 0.08 0.10 0.11 0.15 0.10 0.05 -0.10 0.09 0.05 -0.10 0.06 -0.04 0.01 -0.04 -0.07 -0.19 0.03 0.04 0.02 0.03 0.06 0.00 -0.24 0.21 -0.06 -0.03 0.08 -0.00 0.02 0.08 0.08 -0.06 -0.03 -0.04 -0.08 -0.05 -0.02 -0.08 -0.08 0.01 0.02 0.01 -0.04 0.02 -0.03 0.04 0.01 -0.05 -0.04 0.05 0.11 0.01 -0.09 -0.02 -0.02 0.01 -0.05 0.04 0.09 0.01 0.02 0.04 0.12 -0.00 -0.03 -0.01 -0.00 -0.01 -0.02 0.02 0.01 0.04 -0.03 0.02 0.00 -0.06 -0.01 -0.07 -0.04 0.00 -0.04 -0.03 0.03 -0.02 0.01 0.02 0.02 -0.04 0.05 -0.04 0.09 0.22 0.18 0.16 -0.10 -0.01 0.28 0.09 -0.25 -0.04 0.01 -0.05 0.29 0.07 -0.01 -0.08 0.17 0.29 0.09 -0.22 -0.03 -0.09 -0.03 -0.16 -0.01 -0.07 -0.01 -0.01 0.08 0.02 0.11 0.20 0.14 0.05 0.13 0.34 -0.01 -0.05 -0.01 0.01 -0.09 -0.02 -0.03 -0.01 -0.01 0.06 -0.02 -0.07 0.04 -0.02 -0.05 0.03 -0.04 0.04 0.06 -0.01 0.03 0.01 0.00 0.06 -0.03 0.01 0.06 -0.03 -0.02 -0.02 -0.07 -0.00 -0.07 -0.04 0.03 -0.00 -0.03 -0.06 0.07 -0.04 -0.06 0.05 -0.06 -0.09 0.02 -0.07 -0.01 -0.04 0.07 0.12 -0.05 -0.07 0.14 -0.10 -0.06 0.07 0.03 -0.03 -0.02 -0.00 -0.02 -0.10 0.02 0.08 0.07 0.02 -0.09 -0.09 0.02 0.01 -0.01 -0.01 -0.10 -0.10 0.09 0.05 0.11 -0.05 0.10 -0.01 -0.01 0.05 -0.04 0.01 0.03 -0.01 0.05 -0.06 0.04 0.07 0.02 -0.05 -0.01 0.02 -0.01 -0.01 0.11 0.06 -0.04 -0.01 0.06 0.06 0.01 0.06 -0.13 0.02 -0.28 0.02 -0.11 0.02 0.05 -0.22 -0.02 -0.12 -0.07 -0.06 -0.02 0.10 -0.14 0.01 0.12 0.04 0.09 -0.21 -0.13 0.01 0.04 -0.10 0.00 0.03 -0.03 -0.03 0.01 -0.06 0.04 -0.27 -0.15 0.19 0.05 0.18 -0.04 0.22 -0.04 -0.03 0.09 -0.12 -0.04 -0.00 0.02 -0.02 0.16 -0.08 -0.13 0.01 -0.09 0.03 0.06 -0.10 0.08 0.08 -0.05 0.05 -0.06 -0.06 0.01 -0.01 -0.03 0.10 -0.12 0.04 0.02 0.01 -0.16 0.02 0.01 -0.05 0.03 0.19 0.06 0.12 0.03 0.07 0.06 0.09 0.04 0.07 -0.08 0.02 -0.03 0.03 0.03 -0.07 -0.00 0.01 -0.10 -0.03 -0.07 -0.05 0.01 0.05 0.05 0.05 -0.07 -0.03 0.03 0.05 0.05 0.01 0.03 -0.06 -0.03 -0.04 0.01 -0.05 -0.05 0.08 -0.00 0.05 0.03 0.04 -0.01 0.02 -0.07 0.05 -0.03 -0.03 0.01 -0.04 0.07 -0.03 -0.11 -0.07 -0.03 -0.04 0.04 -0.01 -0.01 0.04 -0.05 0.06 0.03 -0.06 -0.09 -0.05 -0.03 0.17 0.04 -0.20 -0.07 -0.18 0.14 0.23 -0.30 0.07 0.14 0.09 0.15 0.08 -0.03 -0.11 -0.02 0.08 0.09 0.20 -0.03 -0.12 -0.07 -0.13 0.12 -0.21 -0.04 -0.01 -0.01 -0.02 -0.03 0.10 -0.11 -0.03 0.19 0.01 0.14 0.14 0.11 -0.01 0.04 -0.13 0.09 0.06 -0.00 -0.04 0.03 -0.15 0.09 0.11 0.02 0.12 -0.08 -0.08 0.10 -0.10 -0.07 0.04 -0.05 0.11 0.07 0.03 0.01 0.03 -0.07 0.14 -0.05 -0.06 -0.06 -0.06 -0.04 0.03 0.00 0.04 0.06 -0.10 -0.15 -0.07 -0.02 -0.03 0.00 0.02 -0.03 0.01 0.05 0.06 0.01 0.10 0.20 0.05 -0.08 -0.10 -0.02 0.01 0.00 0.00 -0.01 -0.01 -0.02 -0.06 -0.14 -0.03 0.01 0.04 0.03 0.00 0.02 0.01 -0.03 -0.06 -0.01 0.09 0.14 0.01 -0.07 -0.08 -0.03 0.01 -0.00 0.01 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.01 -0.08 -0.14 -0.01 0.07 0.17 0.01 0.00 -0.00 -0.01 0.00 -0.00 0.01 -0.00 -0.00 -0.01 0.05 -0.03 0.02 0.03 -0.07 0.02 -0.02 0.02 -0.00 -0.01 -0.01 -0.05 -0.20 -0.39 -0.06 -0.05 -0.08 0.01 0.07 0.03 0.02 -0.02 0.07 -0.00 -0.01 0.03 0.00 -0.03 -0.07 0.01 0.19 0.32 0.04 -0.09 -0.11 -0.04 0.01 -0.00 0.01 0.00 -0.00 0.00 0.01 -0.00 0.01 -0.00 -0.00 -0.01 -0.01 0.01 0.01 0.00 0.00 -0.00 -0.00 0.00 -0.01 -0.01 -0.01 0.00 -0.00 0.00 -0.01 0.01 0.01 0.02 -0.20 -0.41 -0.05 0.19 0.38 0.03 0.01 -0.03 0.01 0.05 0.04 -0.01 -0.11 0.04 0.04 -0.10 -0.02 0.13 0.01 0.07 -0.03 0.07 0.02 0.04 -0.05 0.00 0.04 0.07 0.00 0.00 0.02 -0.04 0.20 -0.11 0.07 -0.14 0.03 -0.08 -0.02 0.09 -0.11 0.11 0.05 -0.04 0.26 0.08 -0.05 -0.12 0.01 -0.00 -0.02 0.01 0.03 0.00 -0.01 -0.04 0.04 0.04 -0.01 -0.01 -0.06 0.07 -0.25 -0.02 0.05 -0.16 -0.05 0.03 -0.04 -0.00 -0.01 0.02 -0.04 0.01 -0.04 -0.30 0.09 0.01 -0.04 0.13 -0.08 0.08 -0.04 -0.01 0.07 0.00 0.05 0.09 -0.07 0.09 -0.15 -0.02 -0.16 -0.13 -0.09 -0.03 0.09 -0.19 -0.02 0.06 -0.12 -0.03 0.03 -0.19 0.07 -0.01 -0.00 0.26 0.03 -0.11 -0.17 0.07 0.00 -0.02 0.09 -0.00 0.01 -0.02 -0.01 -0.11 0.03 0.11 0.00 0.03 0.03 -0.02 0.04 -0.02 -0.04 0.01 -0.03 0.01 0.01 -0.04 0.03 -0.01 -0.08 0.07 0.07 -0.03 -0.01 -0.06 0.00 -0.26 -0.13 0.04 -0.04 0.01 -0.01 0.02 -0.03 0.00 -0.03 0.04 -0.01 -0.01 0.13 -0.04 0.21 0.03 -0.12 0.12 -0.03 -0.02 -0.17 0.03 -0.00 -0.03 -0.05 -0.00 -0.01 0.16 -0.12 0.21 -0.07 0.03 0.13 -0.02 0.05 0.02 0.13 0.01 -0.17 0.05 -0.06 -0.08 -0.09 0.10 -0.15 -0.01 0.00 0.01 -0.01 -0.02 -0.00 0.01 0.03 -0.03 -0.03 0.00 0.01 -0.09 0.03 0.09 -0.19 0.09 -0.16 0.04 -0.02 0.03 -0.00 0.01 -0.01 0.03 -0.01 0.03 -0.16 -0.00 -0.05 0.18 -0.04 -0.18 -0.08 -0.01 -0.02 -0.05 -0.00 0.00 0.09 -0.11 0.30 -0.06 0.19 0.02 0.05 0.05 0.07 -0.07 0.12 0.03 -0.00 0.03 0.02 0.21 0.09 -0.09 -0.18 0.06 -0.10 0.01 0.17 -0.02 -0.05 0.00 0.01 -0.06 0.00 -0.00 0.02 0.01 0.09 -0.02 -0.08 -0.00 -0.02 -0.02 0.01 -0.03 0.01 0.03 -0.01 0.02 -0.00 -0.00 0.03 -0.02 0.01 0.06 -0.05 -0.05 0.01 0.00 0.11 0.01 0.11 -0.11 0.11 -0.24 -0.00 0.01 -0.01 0.07 0.01 -0.05 0.01 -0.01 -0.01 -0.04 -0.08 -0.01 0.02 0.05 0.01 0.04 0.07 0.03 0.03 -0.03 -0.11 -0.10 0.06 0.07 -0.01 -0.00 0.00 -0.03 -0.01 -0.02 0.11 -0.01 0.01 -0.04 -0.06 0.02 0.02 0.05 0.04 0.02 -0.01 -0.01 -0.11 0.00 -0.04 0.02 -0.11 -0.02 0.05 0.08 -0.08 -0.14 -0.02 0.02 0.01 0.03 -0.03 0.00 -0.00 -0.01 0.14 0.05 0.28 -0.04 -0.01 -0.10 0.04 -0.01 0.03 -0.01 0.05 0.01 -0.03 0.03 0.02 -0.21 0.11 0.08 -0.10 0.06 -0.03 -0.00 0.01 0.00 -0.09 -0.13 -0.03 0.12 -0.01 0.06 0.04 0.02 0.06 0.20 -0.04 0.03 -0.11 -0.19 -0.01 0.04 0.06 0.04 -0.05 -0.12 -0.04 -0.27 0.00 -0.06 -0.27 0.02 -0.07 -0.01 0.05 0.21 0.04 -0.15 0.04 0.05 -0.22 -0.02 0.01 -0.01 0.06 0.02 0.04 0.03 0.09 0.17 -0.13 0.07 0.13 -0.03 -0.31 -0.10 -0.03 -0.02 -0.02 -0.04 -0.06 -0.09 -0.01 -0.02 0.08 -0.07 0.01 0.08 0.00 -0.06 0.03 0.03 -0.12 -0.16 -0.02 0.05 0.07 0.02 0.07 0.17 -0.05 -0.02 -0.01 0.03 0.05 0.02 0.02 0.03 -0.06 -0.01 0.02 -0.09 0.03 -0.06 -0.02 -0.01 -0.01 -0.15 -0.14 0.11 0.10 -0.07 -0.06 0.05 0.02 0.01 0.00 -0.00 0.01 0.00 -0.01 -0.02 -0.03 0.04 0.04 -0.00 -0.02 0.05 0.04 0.12 -0.04 -0.02 0.03 -0.02 0.07 -0.06 0.01 -0.01 0.01 -0.01 -0.02 0.00 0.00 0.13 0.08 -0.16 0.07 0.14 0.09 -0.08 -0.02 0.07 0.02 0.15 0.05 -0.02 -0.01 -0.12 -0.32 -0.03 -0.19 -0.02 -0.04 0.01 -0.12 -0.02 -0.04 -0.04 -0.01 -0.13 -0.41 -0.15 0.08 0.23 -0.06 -0.17 -0.20 0.03 0.03 0.01 -0.02 0.08 0.01 0.02 -0.01 0.01 -0.07 0.02 0.07 -0.01 0.03 0.01 -0.02 0.04 -0.05 -0.04 -0.03 -0.03 0.04 -0.03 -0.04 0.05 -0.03 -0.03 0.04 0.06 -0.05 -0.03 -0.00 -0.04 0.11 -0.10 -0.26 -0.08 -0.01 0.02 0.01 -0.02 -0.03 -0.01 -0.00 -0.02 -0.00 0.03 0.04 0.00 -0.01 -0.02 -0.00 -0.02 -0.04 0.00 -0.01 -0.12 0.01 -0.00 -0.01 -0.01 0.00 0.02 -0.00 0.00 0.02 -0.00 -0.02 0.01 0.00 0.01 0.04 0.02 -0.02 -0.03 -0.00 0.00 -0.01 -0.00 -0.02 0.02 -0.01 0.06 -0.16 -0.08 -0.07 -0.06 0.12 0.03 0.07 0.00 -0.01 -0.02 -0.01 0.01 0.01 -0.00 0.08 0.48 -0.04 0.01 0.04 0.03 -0.03 -0.23 -0.01 0.01 -0.04 -0.01 0.02 -0.06 -0.01 0.05 -0.10 -0.05 -0.09 -0.04 0.08 -0.00 0.01 0.00 0.04 0.08 0.01 0.03 0.02 0.01 -0.03 0.05 0.00 -0.02 0.02 0.00 0.05 0.11 0.03 -0.03 -0.07 -0.00 0.03 0.05 0.00 -0.15 0.06 -0.14 0.07 0.09 0.07 0.01 0.13 0.01 0.11 0.05 -0.06 0.14 -0.17 -0.14 0.15 -0.28 -0.16 -0.19 -0.12 0.28 -0.12 0.00 0.15 -0.07 0.14 0.02 0.04 -0.08 -0.03 -0.00 -0.00 -0.01 0.04 0.08 0.02 -0.01 0.19 0.06 -0.04 0.00 0.01 -0.06 0.00 0.02 -0.02 0.03 0.01 -0.01 -0.00 -0.01 -0.02 -0.02 -0.03 -0.14 0.03 -0.02 0.10 -0.04 -0.06 0.02 0.01 0.01 0.04 -0.00 -0.00 -0.08 -0.00 -0.01 0.05 0.02 -0.03 0.00 -0.03 -0.02 -0.04 0.00 0.01 -0.15 -0.02 -0.14 0.02 0.06 0.03 0.03 -0.02 0.01 0.14 0.02 0.04 0.00 -0.03 0.03 0.01 0.01 0.03 0.06 -0.01 0.30 0.10 0.01 0.07 -0.08 -0.02 -0.23 -0.02 0.00 0.03 -0.06 -0.02 0.03 0.15 -0.07 -0.07 0.10 -0.04 -0.00 0.04 0.01 -0.01 0.06 0.04 -0.00 -0.12 -0.00 -0.03 -0.03 -0.04 -0.04 -0.12 0.00 -0.02 0.08 0.06 -0.02 -0.04 -0.04 -0.03 -0.02 0.03 0.03 -0.12 -0.03 -0.11 -0.15 -0.03 -0.15 -0.16 -0.04 -0.16 0.09 0.24 0.13 0.12 -0.10 -0.03 0.10 0.06 0.05 0.15 -0.00 -0.02 0.19 0.06 -0.12 0.07 -0.20 0.23 0.27 0.04 0.07 -0.02 -0.02 0.03 0.06 0.05 -0.00 0.24 -0.05 0.08 -0.06 -0.01 0.02 0.15 -0.02 -0.04 0.16 0.02 -0.01 0.02 -0.04 0.07 0.04 -0.01 0.08 -0.02 0.00 0.00 0.01 -0.02 -0.04 -0.07 -0.10 -0.06 -0.17 -0.06 0.05 -0.09 0.06 0.02 -0.16 -0.07 0.06 0.02 0.14 0.00 0.18 0.05 -0.03 -0.02 -0.00 -0.02 -0.00 0.02 0.01 -0.00 -0.01 0.01 0.04 0.01 0.00 0.02 0.15 -0.05 -0.07 -0.10 -0.09 0.01 0.01 0.02 0.03 0.01 0.03 -0.01 -0.02 -0.04 0.15 -0.06 -0.06 0.20 -0.11 -0.07 0.05 -0.06 -0.04 0.02 -0.03 0.02 -0.23 -0.25 0.00 -0.18 -0.10 0.05 0.01 0.07 -0.00 -0.10 0.12 -0.01 -0.14 0.10 0.01 -0.21 -0.14 0.03 0.17 0.21 0.03 0.19 0.08 -0.02 -0.01 -0.00 -0.02 -0.01 -0.00 -0.02 -0.03 -0.01 -0.04 0.01 0.05 0.02 0.02 0.00 -0.01 0.01 0.01 0.00 0.01 -0.01 0.01 0.02 -0.00 -0.00 0.00 -0.04 0.04 0.11 0.04 0.02 0.20 0.24 -0.02 -0.23 -0.23 -0.00 0.05 -0.03 0.03 0.02 -0.06 0.01 -0.05 0.03 0.02 0.02 0.27 0.06 -0.03 0.04 -0.10 -0.11 -0.03 -0.07 0.02 -0.01 -0.01 -0.01 -0.03 -0.02 -0.05 -0.08 0.05 0.07 -0.16 -0.14 0.08 -0.04 -0.01 0.05 -0.09 -0.03 0.06 0.04 0.09 -0.12 0.17 0.06 0.02 0.00 0.02 0.00 -0.03 -0.01 0.01 0.02 -0.02 -0.02 0.00 0.00 0.10 0.07 0.04 -0.04 -0.14 0.05 -0.01 0.01 0.01 -0.03 0.02 0.02 -0.02 -0.01 -0.01 -0.11 -0.04 -0.01 0.04 0.02 -0.08 -0.02 0.04 0.00 -0.03 -0.03 -0.10 -0.15 -0.41 -0.09 0.11 -0.08 -0.13 0.10 -0.04 -0.01 0.08 -0.03 -0.01 0.08 -0.04 -0.01 0.07 -0.07 -0.01 -0.00 0.11 0.09 -0.04 0.39 0.05 -0.00 0.00 0.02 -0.00 0.01 0.02 0.03 0.01 0.06 -0.01 -0.06 -0.02 -0.01 -0.02 -0.01 -0.01 -0.02 -0.00 -0.01 0.02 -0.01 -0.01 0.02 -0.01 0.01 0.05 -0.05 -0.01 0.03 0.01 0.08 0.39 0.06 0.06 -0.16 -0.07 -0.04 -0.01 0.01 -0.01 -0.02 -0.06 -0.01 -0.03 -0.01 0.01 0.03 0.01 0.00 0.01 -0.01 -0.02 -0.01 -0.01 -0.08 0.02 0.03 -0.09 0.03 0.07 -0.00 -0.00 0.01 0.01 -0.02 -0.02 0.02 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.02 -0.02 0.02 0.01 -0.12 -0.02 -0.14 -0.02 0.18 0.07 -0.05 -0.13 0.15 -0.04 -0.00 0.04 0.01 0.00 0.00 -0.00 -0.02 0.00 0.09 -0.01 -0.10 0.16 -0.01 -0.17 0.19 -0.05 0.11 0.01 0.00 0.01 -0.00 -0.07 0.00 -0.24 0.13 0.09 -0.08 0.05 -0.09 -0.03 -0.06 -0.01 0.02 0.01 -0.02 0.07 0.01 0.04 -0.06 0.05 0.05 0.10 -0.01 0.02 -0.00 -0.01 0.00 -0.02 -0.02 0.01 -0.00 0.07 0.00 -0.03 -0.02 -0.13 -0.03 -0.03 -0.12 -0.18 -0.05 -0.29 0.02 0.31 0.09 0.03 0.15 0.03 0.04 0.13 0.04 -0.00 -0.11 0.11 -0.01 -0.12 0.11 -0.05 -0.22 0.23 -0.27 -0.01 -0.01 0.01 0.06 0.01 0.02 0.01 -0.01 0.19 0.06 -0.14 0.01 0.00 -0.01 -0.10 0.01 0.04 -0.04 0.06 -0.00 -0.02 0.02 0.04 0.05 -0.00 -0.00 0.00 -0.00 -0.00 0.01 0.01 0.01 0.01 0.02 -0.04 -0.09 -0.02 0.07 0.04 -0.02 -0.01 0.04 0.02 -0.04 0.04 0.04 -0.05 0.07 -0.09 -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 -0.03 -0.03 0.01 -0.01 -0.04 -0.01 -0.00 0.00 -0.00 -0.00 -0.00 -0.01 -0.00 0.00 0.00 -0.06 0.04 0.06 -0.14 0.03 0.07 -0.01 0.02 0.01 0.01 0.01 -0.01 -0.12 -0.25 -0.11 0.10 0.29 0.15 -0.02 -0.03 0.00 0.05 -0.06 -0.00 0.06 -0.05 -0.01 -0.13 -0.30 -0.12 -0.13 -0.26 -0.11 0.25 0.20 0.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.02 -0.01 -0.00 0.26 0.33 0.07 0.15 0.37 0.12 -0.01 0.01 -0.01 -0.01 0.02 -0.01 0.11 -0.04 -0.04 0.04 -0.08 0.00 -0.00 -0.09 -0.05 0.01 0.14 0.03 -0.00 0.00 0.00 0.00 0.01 0.00 -0.00 -0.02 0.04 0.07 -0.02 -0.09 -0.05 0.03 0.01 -0.03 0.02 0.06 0.01 0.06 0.07 -0.14 -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 -0.03 -0.08 -0.03 0.01 0.03 0.01 -0.00 -0.00 0.00 -0.00 -0.01 0.01 -0.00 0.01 -0.01 0.09 -0.05 -0.05 0.13 -0.04 -0.06 0.03 -0.04 -0.02 0.00 0.01 0.07 -0.10 -0.15 0.06 0.25 0.34 -0.08 -0.01 0.03 0.00 -0.06 0.06 0.01 -0.07 0.05 0.01 -0.27 -0.43 -0.00 -0.15 -0.28 0.02 -0.10 0.11 -0.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.03 -0.03 -0.01 0.05 0.28 0.01 0.20 0.30 -0.02 0.01 0.03 0.02 0.00 0.02 -0.03 0.02 -0.06 -0.02 -0.02 -0.11 -0.02 0.13 0.18 0.03 -0.04 -0.06 -0.00 -0.01 0.00 0.00 0.02 0.04 0.03 0.02 0.03 0.01 -0.01 -0.07 -0.04 -0.03 0.02 0.00 -0.02 0.01 0.03 -0.04 -0.07 0.00 -0.04 -0.01 -0.01 0.00 0.00 0.01 -0.00 -0.01 -0.00 0.00 0.01 -0.01 0.02 0.02 -0.00 0.01 0.02 0.01 -0.06 -0.08 -0.02 -0.01 -0.00 0.00 -0.01 -0.05 -0.00 -0.00 0.02 0.00 0.03 -0.02 -0.01 -0.01 -0.05 0.01 0.06 -0.05 -0.01 -0.02 0.03 0.12 0.12 0.25 0.07 -0.01 -0.04 -0.06 -0.04 0.02 0.01 -0.05 0.02 0.01 -0.02 0.01 0.01 0.10 0.24 0.08 0.13 0.19 0.05 0.19 0.46 0.06 0.01 0.00 0.01 0.01 0.00 0.01 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.01 -0.01 0.00 -0.01 -0.00 0.01 0.01 -0.01 0.01 0.01 -0.01 0.00 -0.00 -0.00 0.01 -0.15 -0.04 0.15 0.34 0.05 0.21 0.41 0.02 0.02 0.11 0.04 -0.00 -0.01 0.02 0.03 0.03 -0.05 -0.04 0.04 -0.13 0.07 -0.04 -0.04 0.11 -0.02 -0.05 0.00 -0.00 -0.00 -0.01 -0.03 -0.01 -0.17 0.10 -0.14 0.06 -0.05 0.10 0.01 -0.00 0.00 0.10 -0.07 0.05 -0.03 -0.04 0.29 0.01 0.01 -0.13 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.01 -0.02 -0.00 -0.02 -0.04 0.25 -0.16 0.11 -0.16 0.00 0.00 -0.00 0.01 0.04 0.00 -0.00 -0.02 -0.00 0.15 -0.01 -0.03 -0.04 0.03 0.04 -0.03 0.06 0.02 0.04 -0.01 -0.10 0.00 0.13 -0.33 0.03 0.04 -0.02 0.02 -0.00 -0.02 0.02 -0.00 -0.01 -0.02 0.02 0.00 0.05 0.01 -0.14 0.13 -0.07 0.32 0.08 -0.03 0.04 -0.01 -0.00 -0.00 -0.01 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.01 0.00 -0.00 0.01 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.01 0.12 0.03 0.22 -0.09 0.28 -0.03 0.11 -0.33 -0.02 -0.12 -0.04 -0.00 -0.01 0.04 0.02 0.07 -0.00 -0.00 0.01 0.01 -0.02 0.00 0.01 0.05 0.10 0.02 0.01 -0.00 -0.00 -0.02 -0.07 -0.03 -0.01 -0.06 0.01 -0.03 -0.02 -0.01 0.02 -0.01 0.00 -0.03 -0.06 -0.03 -0.02 -0.03 -0.03 -0.01 -0.03 0.01 -0.00 -0.00 -0.01 0.00 0.01 0.00 -0.00 -0.01 0.01 -0.03 -0.05 -0.00 -0.02 -0.05 -0.03 0.02 -0.01 0.02 0.01 0.01 -0.00 0.01 0.10 0.01 -0.00 -0.04 -0.00 0.01 0.04 -0.01 0.03 0.07 -0.01 -0.09 0.09 0.03 0.09 -0.03 -0.19 0.18 0.30 0.08 0.13 0.26 0.05 0.03 -0.01 -0.02 0.04 -0.02 -0.02 -0.01 0.00 -0.00 0.14 0.26 0.04 0.20 0.45 0.05 -0.03 -0.06 -0.01 -0.02 -0.00 -0.01 -0.02 -0.00 -0.01 0.00 0.00 0.01 -0.00 -0.00 -0.00 -0.01 0.02 0.01 -0.00 0.02 0.01 -0.01 -0.01 0.01 -0.01 -0.01 0.01 -0.00 0.00 -0.00 -0.02 0.28 0.07 0.14 0.29 0.02 0.10 0.17 0.06 -0.05 -0.26 -0.08 0.01 0.03 0.02 0.03 0.04 -0.01 -0.02 -0.08 -0.00 0.04 0.04 0.01 -0.05 -0.07 -0.01 0.00 -0.00 -0.00 0.00 -0.07 -0.01 0.03 0.02 0.02 0.02 0.01 -0.02 -0.01 0.01 0.00 0.01 0.07 0.02 0.01 0.02 -0.01 -0.01 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.04 -0.09 -0.01 0.02 0.05 -0.00 -0.02 -0.03 -0.00 0.00 0.01 -0.00 0.02 0.15 0.01 -0.01 -0.06 0.00 0.02 0.06 0.00 0.00 0.06 0.02 -0.11 0.14 0.07 0.20 0.00 -0.23 -0.05 -0.09 0.02 -0.13 -0.26 -0.07 -0.04 0.00 -0.01 0.03 -0.03 -0.01 -0.03 0.00 -0.00 -0.14 -0.23 -0.01 -0.15 -0.30 -0.06 0.10 0.24 0.03 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.01 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.04 0.42 0.10 -0.10 -0.13 -0.03 0.02 0.05 0.01 -0.08 -0.42 -0.14 -0.01 -0.01 0.06 0.03 0.06 0.00 -0.02 -0.02 -0.00 -0.00 0.01 0.00 -0.00 -0.00 -0.00 0.18 -0.04 -0.06 -0.04 -0.01 -0.08 -0.00 -0.01 0.00 0.00 0.02 0.01 0.03 -0.01 0.00 0.02 0.01 -0.01 0.00 0.01 0.00 -0.01 -0.02 0.00 -0.04 -0.03 -0.12 0.04 0.13 0.03 0.01 -0.10 0.09 -0.02 0.03 -0.02 0.01 0.01 -0.00 -0.00 -0.02 0.00 0.03 -0.01 0.00 -0.11 -0.03 0.09 -0.02 0.03 -0.03 -0.01 0.01 -0.02 0.04 0.11 -0.03 0.08 -0.13 -0.11 -0.12 -0.05 0.09 0.03 0.05 0.01 -0.06 -0.11 -0.00 0.06 -0.01 -0.03 0.07 -0.01 -0.03 -0.04 0.02 -0.00 -0.04 -0.09 -0.03 -0.04 -0.04 -0.01 0.06 0.12 0.02 -0.26 -0.02 -0.16 -0.25 0.00 -0.16 0.07 0.04 0.19 -0.05 -0.18 -0.05 -0.10 0.25 0.13 -0.11 0.25 0.10 -0.16 -0.15 0.22 -0.14 -0.13 0.22 -0.01 0.15 -0.13 0.12 -0.12 -0.02 -0.02 -0.05 -0.01 0.04 0.07 0.02 -0.12 0.07 0.11 -0.02 -0.05 0.04 0.09 0.08 -0.04 -0.03 0.01 -0.01 -0.08 -0.02 -0.00 0.03 0.05 -0.02 -0.05 0.01 0.02 -0.05 -0.03 -0.05 -0.04 -0.04 0.02 -0.02 0.09 0.05 0.01 -0.01 0.01 0.07 -0.02 -0.07 -0.02 0.01 0.05 -0.04 -0.07 0.01 0.01 0.01 0.03 -0.02 -0.03 -0.01 -0.01 0.03 -0.02 0.01 0.04 0.02 0.03 0.04 -0.03 0.02 -0.07 0.03 0.01 -0.00 -0.01 0.03 -0.05 -0.02 0.02 0.01 0.01 0.12 0.02 -0.05 0.07 0.06 -0.01 -0.03 -0.03 -0.04 -0.13 -0.05 -0.05 0.12 0.21 0.03 -0.22 -0.39 0.07 0.13 -0.01 -0.04 -0.01 0.05 -0.01 -0.05 0.06 0.01 -0.03 -0.15 -0.16 -0.11 0.09 0.04 0.20 0.41 0.07 0.08 0.01 0.04 0.08 -0.00 0.05 -0.03 -0.01 -0.07 0.02 0.07 0.02 0.04 -0.08 -0.04 0.04 -0.07 -0.03 0.05 0.04 -0.06 0.04 0.03 -0.06 0.00 -0.06 0.05 0.02 -0.12 -0.02 -0.09 -0.23 -0.06 0.17 0.26 0.10 0.10 0.15 0.04 0.00 -0.01 0.01 0.12 -0.01 -0.08 -0.06 -0.07 -0.04 -0.03 0.13 0.03 -0.05 -0.08 -0.06 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.02 0.04 0.04 -0.14 -0.04 0.05 -0.04 0.01 0.01 0.14 -0.01 -0.10 -0.04 0.01 0.10 0.01 0.09 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 0.01 -0.03 -0.07 0.09 -0.01 0.06 -0.00 0.00 0.00 -0.00 0.01 0.00 -0.00 -0.00 -0.00 0.28 -0.04 -0.06 0.04 -0.04 0.04 0.01 0.02 0.01 0.01 -0.00 -0.02 -0.03 -0.05 -0.01 0.15 0.35 0.27 0.04 0.02 -0.02 -0.04 0.05 -0.00 -0.07 0.07 0.02 0.05 -0.06 -0.24 -0.31 -0.05 0.06 -0.23 -0.34 -0.06 -0.00 -0.00 -0.00 -0.01 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.01 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.15 0.21 -0.03 -0.08 -0.31 0.04 -0.01 -0.03 -0.01 -0.03 -0.05 0.11 0.01 0.20 0.03 -0.04 -0.07 0.01 0.08 0.05 0.01 -0.03 -0.08 0.01 -0.05 0.01 0.02 -0.12 -0.08 -0.14 0.03 -0.03 0.00 0.03 -0.08 -0.05 0.06 -0.03 0.00 -0.04 0.08 0.07 0.03 0.01 -0.05 0.05 0.04 -0.02 -0.00 0.01 0.03 -0.02 -0.03 -0.00 -0.01 0.02 -0.02 0.00 0.06 0.03 -0.02 -0.02 0.04 -0.03 0.05 -0.03 0.02 -0.01 -0.01 0.03 -0.06 -0.02 0.04 0.00 0.00 -0.10 0.13 -0.00 0.02 0.28 -0.02 -0.09 -0.09 -0.13 -0.23 -0.11 -0.09 0.09 0.13 0.05 0.14 0.24 -0.11 0.14 -0.03 -0.06 0.12 -0.02 -0.05 -0.05 0.02 -0.00 -0.16 -0.20 0.09 0.03 -0.19 -0.07 -0.09 -0.25 -0.03 0.08 0.01 0.04 0.08 -0.01 0.04 -0.05 -0.02 -0.09 0.02 0.09 0.03 0.04 -0.07 -0.04 0.04 -0.08 -0.03 0.05 0.05 -0.07 0.05 0.03 -0.06 -0.00 -0.07 0.07 0.06 -0.16 -0.01 0.06 0.18 0.06 -0.13 -0.15 -0.07 0.14 0.21 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 0.04 0.16 0.01 -0.00 -0.00 -0.00 0.01 0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.01 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.04 0.07 -0.05 0.06 -0.12 -0.08 -0.03 -0.00 0.12 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -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 -0.03 -0.05 -0.01 -0.00 -0.01 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.02 0.04 0.01 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.24 -0.04 0.28 -0.19 -0.15 -0.28 -0.11 -0.16 -0.11 -0.03 -0.48 -0.13 -0.10 -0.07 0.05 -0.12 0.07 0.05 0.10 0.13 -0.27 -0.02 -0.28 0.15 -0.07 -0.29 0.15 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.01 0.01 0.00 -0.01 -0.01 -0.00 0.00 -0.00 -0.03 -0.03 -0.03 0.01 0.03 0.05 0.01 0.01 0.01 0.00 -0.02 -0.03 -0.00 -0.00 0.01 -0.04 0.03 0.02 0.04 -0.07 -0.11 -0.03 -0.01 -0.02 -0.00 -0.01 0.00 -0.01 0.04 0.08 0.02 0.00 -0.00 -0.00 0.00 0.01 0.00 0.03 0.01 0.01 0.00 0.01 -0.02 -0.02 -0.02 0.02 0.00 -0.01 -0.01 0.00 0.01 0.00 0.01 0.02 0.00 -0.01 0.00 0.00 -0.00 0.01 -0.00 -0.01 0.00 0.00 -0.04 -0.04 0.00 0.01 -0.07 -0.02 0.02 0.03 0.04 0.05 0.02 0.01 0.34 0.64 0.10 0.05 0.09 0.01 -0.02 0.00 0.02 -0.04 0.01 0.02 0.04 -0.02 0.00 -0.25 -0.49 -0.08 0.05 0.06 0.01 0.01 0.01 -0.00 -0.00 -0.01 0.05 -0.07 -0.01 -0.04 0.06 -0.00 0.10 0.01 -0.04 0.02 -0.00 -0.08 0.00 -0.00 0.09 0.06 0.01 -0.03 0.04 0.03 0.02 -0.02 -0.01 -0.05 0.08 -0.02 0.03 -0.00 -0.02 -0.04 -0.00 -0.06 -0.12 -0.02 -0.02 -0.01 -0.01 0.00 -0.00 -0.01 -0.01 -0.01 0.00 0.01 0.02 0.00 0.00 0.00 0.00 -0.00 -0.01 -0.00 0.05 -0.02 0.14 0.01 0.00 0.01 -0.02 -0.03 -0.01 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.01 0.02 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.13 -0.03 -0.06 0.03 -0.05 0.06 0.09 0.08 -0.04 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.01 -0.01 0.00 0.00 -0.02 -0.01 0.01 0.01 0.01 0.02 0.01 0.00 0.10 0.18 0.03 0.01 0.02 0.00 -0.01 0.00 0.01 -0.01 0.00 0.01 0.01 -0.01 -0.00 -0.07 -0.14 -0.02 0.01 0.02 0.00 0.00 0.00 -0.00 0.02 0.01 -0.17 0.17 0.01 0.05 -0.23 -0.02 -0.38 -0.04 -0.05 -0.15 -0.04 0.37 0.04 -0.05 -0.30 -0.19 -0.07 0.13 -0.21 -0.15 -0.17 0.18 0.01 0.20 -0.34 -0.00 0.02 0.00 -0.01 -0.01 -0.00 -0.01 -0.03 -0.00 -0.01 0.01 0.00 0.01 -0.02 -0.01 -0.02 0.04 -0.09 -0.01 0.02 -0.00 -0.01 0.00 0.00 0.00 -0.00 0.01 0.02 -0.00 -0.01 0.08 -0.10 0.05 0.04 -0.02 0.04 0.02 -0.01 -0.02 -0.04 0.01 0.01 -0.03 0.01 0.00 -0.01 0.01 0.00 0.02 -0.01 -0.01 0.01 -0.00 -0.01 0.01 0.01 -0.00 0.01 -0.01 0.00 -0.01 0.04 0.02 -0.00 0.00 0.02 -0.02 0.01 -0.01 -0.03 0.01 0.01 -0.03 -0.07 -0.04 -0.03 0.01 0.01 0.28 0.14 0.02 -0.17 -0.10 0.18 -0.04 0.25 0.17 0.18 -0.04 -0.37 0.02 -0.05 0.05 0.02 -0.00 -0.02 -0.04 0.01 -0.02 -0.01 -0.01 -0.00 -0.05 0.02 0.00 -0.03 0.03 0.00 -0.05 0.02 -0.00 0.04 -0.01 0.01 -0.03 -0.00 -0.01 -0.04 0.00 -0.02 0.03 0.01 0.05 -0.01 -0.06 -0.02 -0.02 0.02 0.02 -0.02 0.03 0.01 -0.02 -0.02 0.02 -0.02 -0.01 0.03 0.00 0.03 -0.03 -0.12 0.32 0.06 -0.02 -0.01 0.01 -0.03 0.01 0.01 0.04 0.58 0.12 0.03 0.02 -0.02 0.03 -0.02 0.12 0.02 -0.03 0.01 0.02 -0.00 0.00 -0.00 -0.00 -0.01 -0.00 0.00 -0.00 -0.00 -0.02 -0.03 -0.06 0.04 -0.06 -0.02 0.03 0.02 -0.03 0.02 0.00 0.04 -0.02 -0.00 0.02 -0.00 -0.00 -0.03 0.04 0.02 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.02 -0.04 0.00 -0.00 -0.02 -0.03 0.02 -0.03 0.00 0.00 0.00 -0.00 -0.01 -0.04 -0.02 0.00 -0.00 0.00 -0.38 -0.11 -0.01 0.24 0.14 -0.24 -0.06 -0.05 -0.05 0.08 -0.00 -0.02 -0.05 0.06 -0.06 -0.08 -0.08 0.01 -0.09 0.02 0.04 -0.01 -0.02 0.01 0.03 -0.04 -0.00 0.06 -0.01 0.02 0.07 -0.08 -0.01 -0.11 -0.08 -0.04 0.01 -0.00 0.02 -0.01 -0.01 -0.01 0.00 -0.01 0.01 -0.00 0.01 -0.00 0.00 0.01 -0.00 -0.00 -0.01 -0.01 0.00 -0.01 0.02 0.01 0.02 -0.01 0.00 0.00 0.01 0.05 0.51 0.13 0.08 0.08 -0.01 0.08 0.06 -0.01 0.09 0.50 0.13 -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 0.01 0.00 -0.01 0.00 0.02 0.02 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.01 0.00 0.02 0.02 0.00 0.01 0.07 -0.02 0.02 -0.02 0.07 -0.02 -0.05 -0.05 0.00 0.01 0.00 -0.01 -0.02 -0.00 -0.01 -0.02 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.03 0.01 0.00 -0.02 -0.02 0.02 0.01 0.01 0.01 -0.00 -0.00 -0.01 0.03 0.04 0.01 -0.06 -0.13 -0.02 0.01 -0.00 -0.00 -0.01 0.01 0.00 0.00 0.00 0.00 -0.00 0.01 0.00 -0.03 -0.04 -0.01 -0.06 -0.13 -0.02 0.19 -0.05 0.31 -0.21 -0.15 -0.26 -0.02 -0.16 0.03 -0.04 0.05 -0.15 -0.02 0.37 0.02 -0.04 -0.31 -0.21 -0.02 -0.17 0.32 0.09 0.30 -0.18 0.06 0.11 0.10 -0.01 -0.06 -0.02 0.05 0.10 0.02 0.05 0.11 0.02 -0.01 -0.05 -0.02 0.00 0.01 0.01 0.00 -0.00 0.01 -0.00 -0.02 -0.00 0.01 0.01 0.00 0.01 0.02 0.00 -0.00 0.00 0.00 -0.01 -0.00 -0.02 0.00 0.03 -0.00 -0.05 -0.07 -0.01 0.01 0.00 0.00 0.01 -0.00 -0.00 -0.01 -0.03 -0.00 -0.05 -0.07 -0.01 0.00 0.02 -0.00 0.00 -0.01 0.02 -0.01 -0.01 -0.02 -0.01 -0.01 -0.00 0.03 0.06 0.00 0.04 0.05 0.01 0.00 -0.00 -0.00 -0.00 -0.01 -0.00 0.00 -0.00 -0.00 -0.04 -0.02 -0.00 0.02 0.04 -0.03 -0.01 -0.03 -0.03 -0.00 0.00 0.02 -0.08 -0.12 -0.03 0.21 0.42 0.05 -0.02 0.00 0.00 0.03 -0.01 -0.01 -0.01 -0.01 -0.00 -0.00 -0.02 -0.01 0.09 0.15 0.03 0.21 0.45 0.06 0.07 -0.02 0.11 -0.07 -0.05 -0.09 -0.01 -0.06 0.00 -0.01 0.02 -0.05 -0.00 0.13 0.00 -0.01 -0.11 -0.07 -0.00 -0.06 0.11 0.03 0.11 -0.07 0.02 0.03 0.04 0.03 0.13 0.03 -0.17 -0.35 -0.05 -0.16 -0.33 -0.05 0.03 0.11 0.03 -0.08 0.01 0.04 -0.02 -0.03 -0.07 -0.01 0.02 -0.01 -0.01 0.01 -0.00 -0.00 -0.00 0.00 -0.01 0.00 0.00 -0.06 0.13 0.00 0.03 -0.03 0.04 0.02 -0.00 -0.01 0.09 -0.04 -0.02 -0.02 0.02 -0.00 -0.01 0.00 0.01 0.03 0.00 -0.01 -0.00 0.00 0.01 -0.01 -0.00 0.00 -0.01 0.00 -0.00 0.00 -0.12 -0.06 -0.00 -0.00 0.01 -0.02 -0.00 -0.00 0.02 -0.00 -0.01 0.00 -0.00 0.03 0.02 -0.01 -0.02 0.25 -0.01 -0.01 -0.15 -0.11 0.14 0.08 -0.21 -0.12 -0.11 0.08 0.35 0.05 -0.01 0.03 0.01 -0.05 -0.00 0.16 -0.04 -0.05 0.06 0.02 -0.03 0.01 0.04 -0.00 -0.04 -0.00 -0.03 -0.07 0.05 0.01 -0.00 -0.09 0.00 0.02 0.00 0.01 0.02 -0.00 0.01 -0.02 -0.01 -0.03 0.00 0.04 0.01 0.01 -0.02 -0.01 0.01 -0.02 -0.01 0.02 0.01 -0.01 0.01 0.01 -0.02 -0.00 -0.03 0.03 0.25 0.60 0.14 -0.01 0.01 0.01 0.01 0.08 0.03 0.08 0.26 0.11 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 -0.00 0.00 0.00 -0.00 -0.01 -0.01 0.03 0.06 0.01 0.02 0.03 0.01 0.00 0.00 0.00 0.04 0.07 0.01 -0.06 -0.10 -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 -0.02 -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 0.01 0.01 0.00 -0.00 0.00 0.01 -0.01 0.00 -0.00 0.00 -0.01 -0.02 -0.18 -0.33 -0.06 -0.10 -0.19 -0.02 -0.01 0.00 -0.00 0.02 -0.01 -0.01 -0.01 -0.00 -0.00 -0.23 -0.43 -0.08 0.32 0.60 0.11 -0.01 -0.02 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.01 -0.02 -0.00 0.10 0.20 0.03 -0.04 -0.07 -0.01 0.00 0.00 -0.00 0.01 0.01 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.01 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.01 -0.01 0.01 0.01 0.00 -0.03 -0.04 -0.01 -0.00 0.00 0.00 0.01 0.02 0.00 -0.01 -0.03 -0.00 0.03 0.06 0.01 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.01 0.00 0.04 0.08 0.01 -0.04 -0.09 -0.01 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.01 0.00 -0.00 0.01 -0.00 -0.01 0.01 0.00 0.00 -0.01 -0.02 -0.05 -0.08 -0.01 0.15 0.29 0.03 -0.03 0.00 0.00 0.02 -0.01 -0.01 -0.01 -0.01 -0.00 -0.06 -0.11 -0.02 0.08 0.15 0.03 -0.19 -0.35 -0.06 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.01 0.00 0.00 0.00 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 -0.24 -0.49 -0.07 0.27 0.51 0.08 -0.00 -0.01 -0.01 0.01 0.15 0.09 -0.07 -0.13 -0.05 0.07 0.01 -0.01 0.03 -0.03 0.03 0.01 -0.01 0.01 -0.01 0.00 0.00 -0.04 -0.07 -0.12 -0.03 -0.01 -0.01 -0.00 0.01 0.02 0.09 0.07 0.04 0.01 -0.00 -0.01 -0.00 0.01 0.02 -0.06 0.03 0.03 -0.00 0.00 0.00 -0.01 -0.00 0.00 -0.01 0.00 -0.00 -0.04 0.04 0.04 0.03 -0.01 -0.07 -0.02 0.01 0.00 0.02 -0.00 -0.01 -0.01 -0.01 -0.01 0.02 -0.00 0.00 0.19 -0.02 0.04 -0.19 -0.17 0.14 -0.07 -0.02 -0.09 0.03 -0.04 -0.08 0.01 0.12 0.06 -0.00 -0.08 0.08 -0.48 0.04 -0.01 0.51 -0.30 -0.18 -0.12 -0.16 -0.09 -0.00 0.02 -0.06 -0.01 -0.05 0.01 -0.05 0.01 0.07 0.02 0.00 0.00 0.02 -0.00 0.01 -0.01 -0.00 -0.02 0.00 0.04 0.01 0.01 -0.01 -0.01 0.01 -0.02 -0.01 0.02 0.01 -0.01 0.01 0.00 -0.02 -0.00 -0.03 0.03 -0.04 -0.10 0.01 0.10 0.00 -0.07 -0.04 0.01 0.02 0.04 0.03 0.01 0.06 0.05 0.01 0.05 -0.09 0.03 -0.04 0.03 -0.01 -0.07 0.05 -0.09 -0.05 0.03 -0.04 -0.00 0.00 0.00 -0.02 -0.02 -0.07 0.09 -0.06 0.04 -0.05 0.03 -0.03 -0.01 0.05 0.03 -0.04 0.02 0.01 -0.02 0.01 0.04 0.13 -0.05 -0.10 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.03 0.00 0.02 -0.11 0.02 0.21 0.14 -0.08 0.02 0.01 -0.00 -0.00 -0.01 -0.00 -0.01 0.01 -0.00 0.00 -0.02 -0.18 -0.02 0.10 -0.01 -0.06 -0.03 -0.06 -0.08 0.01 -0.02 0.01 0.21 -0.06 -0.09 -0.15 0.08 -0.25 -0.26 0.04 0.03 0.17 -0.11 -0.06 -0.06 -0.07 -0.03 -0.05 0.02 -0.00 -0.17 0.08 0.03 0.04 0.04 -0.37 0.01 0.00 0.00 0.01 -0.00 0.00 -0.01 -0.00 -0.02 0.00 0.02 0.01 0.01 -0.01 -0.01 0.01 -0.01 -0.00 0.01 0.01 -0.01 0.01 0.00 -0.01 -0.00 -0.02 0.02 -0.02 -0.01 0.02 -0.37 0.18 0.21 0.25 -0.11 -0.12 0.03 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 0.02 0.06 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 0.05 0.02 -0.07 -0.11 -0.05 0.02 0.05 0.01 0.04 -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 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.13 -0.04 0.07 -0.32 -0.02 -0.21 0.16 -0.01 0.30 0.05 0.49 0.14 0.18 -0.20 -0.19 0.21 -0.30 -0.11 -0.08 0.05 -0.11 -0.13 -0.20 0.21 -0.01 0.08 -0.18 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 -0.01 0.03 -0.06 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.05 0.06 0.07 -0.03 0.01 -0.05 0.08 -0.08 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.01 -0.02 0.03 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.01 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.34 0.02 0.20 0.17 -0.10 -0.00 -0.20 -0.11 -0.32 0.03 0.06 0.10 0.04 -0.27 -0.06 0.06 0.15 0.10 -0.25 -0.18 0.26 -0.19 -0.01 0.21 0.05 0.36 -0.33 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.09 -0.00 0.01 -0.09 0.07 -0.04 0.11 -0.05 0.00 0.13 -0.08 0.02 0.01 -0.00 -0.01 0.00 0.00 -0.00 0.01 -0.00 0.05 -0.05 0.04 -0.03 -0.13 0.07 0.01 0.07 -0.04 -0.02 0.02 -0.01 0.00 0.01 -0.01 0.02 -0.08 0.05 -0.03 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.01 -0.00 0.00 0.03 0.01 -0.02 -0.05 0.02 0.03 0.15 -0.08 0.03 -0.01 0.00 0.00 0.01 -0.00 0.01 -0.01 0.00 -0.00 0.01 0.29 0.07 -0.18 -0.13 0.16 0.00 0.09 0.09 0.02 0.01 -0.05 -0.15 0.05 0.08 -0.25 0.16 -0.29 0.15 -0.04 -0.04 0.01 0.02 0.00 0.03 0.02 0.00 0.01 -0.00 -0.02 0.18 -0.10 0.04 -0.20 0.15 -0.34 -0.01 -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 0.00 -0.00 0.01 0.00 -0.01 -0.01 0.01 -0.01 -0.01 0.01 0.00 0.02 -0.02 0.02 -0.02 -0.03 -0.15 0.08 0.03 0.34 -0.14 -0.22 -0.02 -0.00 -0.00 0.01 -0.01 0.00 -0.04 0.03 0.06 0.05 -0.01 -0.05 0.03 -0.01 -0.03 0.04 -0.01 -0.05 -0.00 0.00 0.00 -0.02 -0.01 0.02 0.16 -0.08 -0.04 -0.04 0.02 0.04 -0.01 0.01 -0.03 -0.13 0.07 -0.01 -0.05 0.01 0.12 -0.06 0.02 0.05 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.02 0.00 -0.02 0.03 -0.01 -0.04 0.01 -0.00 0.01 -0.00 -0.00 0.00 0.00 -0.00 0.01 -0.00 0.00 -0.01 -0.13 -0.01 0.03 -0.02 0.11 -0.02 -0.04 0.03 0.04 -0.03 -0.01 -0.03 0.42 -0.18 -0.39 -0.02 -0.01 0.11 -0.05 0.01 0.08 -0.09 -0.01 0.07 0.15 -0.06 -0.00 -0.28 0.23 -0.46 -0.05 0.00 0.14 -0.02 -0.01 0.17 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.05 0.00 -0.02 0.15 -0.07 -0.03 0.06 -0.02 -0.08 -0.03 0.01 0.01 -0.09 0.01 -0.01 0.00 0.01 0.02 -0.00 -0.01 -0.00 0.00 0.00 -0.01 0.01 -0.00 -0.01 -0.02 0.00 0.01 0.12 0.05 -0.10 0.03 -0.01 -0.01 -0.00 0.00 0.01 0.04 -0.06 0.03 -0.02 0.01 -0.00 -0.01 0.00 0.02 -0.01 0.00 0.01 0.03 -0.01 -0.02 0.04 0.00 -0.01 0.04 -0.02 -0.01 -0.07 -0.01 0.14 0.00 -0.00 -0.01 -0.00 0.00 0.00 -0.12 0.02 0.03 0.10 0.01 -0.13 -0.08 -0.01 0.08 -0.07 -0.02 -0.01 0.06 -0.01 -0.05 0.11 -0.21 -0.21 0.24 0.06 0.19 0.07 -0.03 -0.08 0.00 -0.00 0.02 0.23 -0.05 -0.18 0.13 0.05 -0.13 -0.26 0.13 0.01 -0.04 0.04 -0.07 -0.01 -0.00 0.02 0.00 -0.01 0.03 -0.09 -0.02 -0.01 -0.09 0.03 -0.03 0.10 0.03 0.15 -0.01 -0.19 -0.06 -0.06 0.05 0.06 -0.07 0.08 0.02 -0.08 -0.04 0.05 -0.07 -0.00 0.07 0.02 0.14 -0.14 -0.23 -0.05 0.11 0.02 -0.01 -0.00 0.01 -0.00 -0.01 0.41 -0.07 -0.09 -0.09 0.07 0.03 0.05 -0.04 0.02 -0.02 -0.02 0.00 -0.03 0.02 -0.01 -0.02 0.01 -0.00 -0.03 0.01 0.01 -0.17 -0.06 0.09 -0.01 0.01 0.00 0.02 -0.01 -0.00 0.08 0.02 -0.05 0.02 -0.01 0.00 -0.00 0.00 -0.01 0.03 -0.01 -0.01 0.04 -0.01 -0.03 0.05 0.00 -0.01 0.05 -0.02 -0.01 0.19 0.01 -0.09 -0.00 0.00 0.01 -0.01 0.01 -0.00 -0.14 0.02 0.04 0.13 -0.02 -0.05 -0.11 0.01 0.03 -0.04 -0.07 -0.01 0.15 -0.10 -0.08 -0.41 0.17 0.16 -0.07 -0.01 -0.13 -0.02 -0.00 0.01 0.05 -0.03 0.05 -0.13 0.02 0.12 0.04 -0.09 0.06 0.27 -0.14 -0.04 0.05 -0.04 0.08 -0.07 0.03 -0.02 0.04 -0.02 0.01 -0.12 -0.02 -0.01 -0.11 0.03 -0.03 0.12 0.03 0.19 -0.02 -0.21 -0.07 -0.07 0.07 0.07 -0.08 0.08 0.02 -0.10 -0.04 0.05 -0.08 -0.01 0.09 0.02 0.16 -0.17 0.28 -0.04 -0.09 -0.04 0.02 0.01 -0.05 0.02 0.06 0.17 0.01 -0.04 0.22 -0.10 0.02 -0.05 0.03 -0.05 0.02 0.03 -0.01 0.04 -0.03 0.02 0.02 -0.01 0.02 -0.02 0.00 0.01 -0.08 0.06 -0.05 -0.02 0.00 0.02 -0.02 0.02 -0.01 -0.13 0.07 0.03 0.00 0.00 -0.00 0.01 -0.01 -0.01 -0.03 0.01 -0.00 0.02 -0.01 -0.02 0.03 0.00 -0.01 0.03 -0.01 -0.01 0.01 -0.07 -0.00 0.00 -0.00 -0.01 0.01 -0.01 0.00 -0.08 0.01 0.02 0.08 0.01 -0.06 -0.05 -0.00 0.04 0.18 0.01 0.01 -0.31 0.23 0.18 0.08 -0.12 -0.09 -0.49 -0.06 0.08 -0.08 0.04 0.12 -0.06 0.03 -0.09 -0.25 0.06 0.10 -0.10 -0.03 0.06 0.00 -0.05 0.01 -0.01 0.00 -0.03 0.08 -0.03 -0.00 -0.05 0.03 -0.06 -0.07 -0.01 -0.01 -0.06 0.02 -0.01 0.07 0.02 0.10 -0.01 -0.13 -0.04 -0.04 0.03 0.04 -0.05 0.05 0.01 -0.06 -0.03 0.03 -0.04 0.00 0.05 0.01 0.09 -0.09 0.19 0.09 0.07 0.02 -0.01 -0.00 0.05 -0.02 -0.05 0.30 -0.07 -0.03 -0.06 -0.02 0.07 0.00 0.02 -0.01 0.01 -0.01 -0.02 0.01 -0.00 0.02 -0.01 0.00 0.01 0.00 -0.00 0.00 0.06 0.00 -0.05 -0.01 0.00 0.01 0.01 -0.01 -0.00 0.01 0.04 -0.13 0.01 -0.01 -0.01 -0.00 -0.00 0.00 0.01 -0.00 -0.02 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.06 0.01 0.05 -0.00 0.00 0.00 -0.00 0.00 0.01 0.00 0.00 -0.00 -0.01 0.00 -0.02 0.00 -0.00 0.01 0.09 -0.14 -0.04 -0.03 0.03 0.03 0.23 -0.03 -0.04 0.13 0.01 0.06 -0.05 -0.00 0.05 0.02 -0.01 0.01 -0.22 0.05 0.33 -0.31 -0.07 0.27 0.62 -0.25 -0.04 0.02 -0.01 0.01 -0.05 0.02 0.00 -0.03 0.03 -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 -0.08 -0.02 0.04 -0.05 0.03 -0.00 -0.06 0.02 0.09 0.11 -0.01 0.00 0.01 0.00 -0.01 -0.01 0.00 0.01 0.01 -0.00 -0.00 0.01 -0.02 0.07 -0.03 0.01 0.01 -0.00 -0.00 -0.00 -0.01 -0.00 0.01 -0.01 0.01 -0.02 0.05 -0.03 -0.00 -0.00 -0.01 0.02 -0.01 0.01 -0.05 0.03 -0.02 0.04 0.02 0.00 -0.08 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.01 0.00 -0.01 -0.01 0.00 -0.01 -0.02 0.00 0.06 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.03 0.02 0.01 -0.00 0.02 -0.01 -0.03 0.00 0.00 -0.01 -0.00 -0.01 0.04 -0.01 -0.09 0.06 -0.03 0.02 0.04 -0.01 -0.04 0.03 0.02 -0.03 -0.08 0.04 0.01 -0.09 0.11 -0.30 0.22 -0.13 0.06 -0.14 0.15 -0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 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 -0.13 0.07 -0.02 -0.35 0.10 0.55 -0.02 0.00 -0.00 -0.00 0.00 0.00 0.01 -0.00 -0.01 -0.02 -0.00 0.04 -0.05 0.02 0.02 0.03 -0.01 -0.04 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.01 0.01 0.01 0.02 -0.01 0.01 0.00 0.00 -0.01 -0.02 0.01 -0.00 0.03 -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 -0.02 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 0.05 -0.02 -0.01 0.02 -0.02 -0.02 0.01 0.00 0.00 0.00 0.00 0.00 -0.12 0.04 0.15 0.13 -0.10 0.29 -0.01 0.00 0.02 -0.01 -0.00 0.01 0.03 -0.01 -0.00 -0.11 0.11 -0.27 0.50 -0.27 0.05 0.08 -0.07 0.21 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.44 0.23 -0.05 0.18 -0.05 -0.26 0.01 0.00 0.00 -0.01 0.02 0.00 0.05 -0.03 -0.00 -0.08 0.04 0.00 -0.02 0.02 -0.05 0.03 -0.02 0.01 0.00 -0.00 -0.00 -0.00 -0.01 -0.00 -0.01 -0.00 0.07 -0.06 0.04 -0.03 0.01 0.00 -0.01 -0.04 0.02 -0.01 0.05 -0.02 -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 0.01 0.00 0.04 -0.03 0.04 -0.00 -0.00 0.02 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.05 -0.12 -0.04 0.05 -0.03 -0.01 -0.05 -0.01 -0.01 0.07 0.01 0.01 -0.13 0.03 0.23 -0.17 0.12 -0.30 0.00 0.00 0.02 -0.02 0.00 0.01 0.04 -0.01 -0.00 -0.12 0.11 -0.26 0.43 -0.23 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 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.02 -0.01 -0.01 0.54 -0.29 0.09 -0.02 0.00 0.04 -0.02 0.01 -0.00 0.06 0.10 0.04 -0.02 -0.07 0.01 0.01 0.04 -0.03 0.02 -0.02 0.03 0.02 -0.02 0.05 -0.01 -0.02 -0.00 -0.05 -0.04 -0.04 -0.00 -0.01 0.01 0.00 0.00 -0.01 -0.05 -0.09 -0.04 0.01 -0.00 -0.01 0.00 -0.00 -0.01 -0.01 0.01 -0.00 0.00 0.01 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.03 0.03 0.00 -0.00 0.00 -0.00 -0.01 0.00 -0.01 0.00 0.00 0.00 0.00 -0.01 -0.00 -0.00 0.00 -0.01 0.10 -0.21 -0.02 -0.24 0.36 0.09 -0.29 -0.06 -0.08 0.38 0.07 0.06 -0.01 0.02 0.04 0.00 -0.02 0.01 0.39 -0.06 -0.00 -0.32 0.22 0.06 0.07 0.21 0.09 -0.01 0.01 -0.06 -0.11 0.06 -0.02 -0.03 0.02 -0.06 0.01 -0.00 0.02 -0.01 -0.01 -0.01 0.00 -0.01 0.01 -0.00 0.00 -0.00 -0.00 0.01 0.00 -0.00 0.01 0.00 -0.00 0.01 -0.02 -0.00 -0.02 0.01 -0.00 -0.01 -0.01 -0.04 -0.04 -0.03 -0.10 0.06 -0.01 0.07 -0.02 -0.12 -0.09 0.05 -0.01 0.00 0.01 0.00 -0.00 -0.01 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.01 0.08 0.30 0.07 -0.00 -0.01 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.01 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.03 -0.13 -0.01 -0.01 -0.08 -0.02 -0.04 -0.11 -0.05 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.03 -0.01 -0.00 0.00 0.00 0.00 0.00 -0.00 0.01 -0.02 -0.00 -0.02 0.03 0.01 -0.02 -0.00 -0.00 0.03 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.04 -0.01 -0.00 -0.03 0.02 0.01 0.01 0.02 0.01 -0.00 0.00 -0.01 -0.01 0.01 -0.00 -0.00 0.00 -0.01 -0.23 0.03 -0.41 0.11 0.18 0.28 0.02 0.27 -0.08 0.00 -0.05 -0.03 0.05 -0.10 -0.07 0.05 -0.13 -0.05 -0.01 -0.24 0.39 0.00 0.31 -0.13 0.09 0.16 0.20 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 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.08 -0.09 0.30 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.03 0.05 -0.08 -0.04 0.04 -0.13 -0.02 0.00 -0.10 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.01 0.01 -0.03 -0.01 0.00 0.00 0.00 -0.00 0.00 -0.00 0.01 0.00 0.00 -0.00 -0.00 0.01 0.01 0.01 -0.00 -0.00 -0.01 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.01 -0.00 -0.00 -0.01 0.01 -0.00 -0.00 0.01 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.03 -0.04 0.13 -0.21 -0.09 -0.24 -0.05 -0.15 0.00 0.09 -0.10 0.29 -0.05 -0.46 -0.00 0.11 0.37 0.23 0.09 -0.05 0.12 0.09 0.26 -0.22 0.07 0.13 0.08 0.03 -0.01 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.01 -0.01 0.00 -0.04 -0.05 -0.04 0.04 0.02 0.02 -0.07 0.03 -0.04 -0.01 -0.02 0.14 0.05 -0.07 0.22 0.00 -0.00 0.00 0.02 0.02 0.03 -0.01 0.01 0.01 0.02 0.00 -0.08 0.03 0.04 0.02 0.03 -0.00 -0.06 0.03 -0.01 -0.04 -0.02 0.01 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.01 -0.01 -0.00 0.02 -0.01 -0.00 -0.04 0.02 -0.02 -0.00 -0.00 -0.00 0.00 -0.00 0.01 -0.00 0.00 -0.00 -0.00 -0.16 -0.05 0.10 -0.02 -0.05 -0.04 -0.02 -0.00 -0.05 -0.00 -0.00 0.11 -0.04 -0.17 -0.04 0.04 -0.22 -0.17 0.03 -0.02 0.17 -0.10 -0.04 -0.06 -0.10 -0.05 -0.09 0.13 -0.45 -0.29 0.16 -0.08 -0.08 0.06 -0.13 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.06 0.01 -0.01 -0.19 0.11 -0.03 0.23 -0.05 -0.42 -0.07 0.00 -0.01 0.03 0.08 0.03 0.03 -0.06 -0.03 -0.05 0.02 0.06 -0.00 -0.01 0.07 -0.01 0.00 0.00 0.01 -0.00 -0.01 -0.02 -0.04 -0.01 -0.02 0.02 -0.02 0.01 0.00 -0.02 -0.02 -0.04 -0.02 -0.01 0.01 -0.02 0.01 -0.00 -0.01 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.05 0.01 -0.01 0.01 -0.00 -0.01 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.02 0.01 -0.02 0.00 -0.01 0.02 -0.06 0.27 0.06 0.11 -0.22 -0.04 0.40 0.18 0.14 -0.13 -0.06 -0.09 0.22 -0.05 -0.35 -0.07 0.07 -0.23 0.17 -0.02 0.02 -0.14 0.10 0.03 0.07 0.10 0.05 0.00 0.00 -0.00 0.05 -0.03 -0.01 0.04 -0.04 0.11 0.01 0.00 -0.00 0.01 -0.00 0.00 -0.01 -0.00 -0.01 -0.00 0.01 -0.00 0.01 0.01 -0.00 0.00 -0.01 -0.00 0.01 0.00 -0.01 0.00 -0.01 -0.00 -0.00 -0.01 0.01 0.32 -0.04 0.06 -0.01 0.01 -0.02 0.03 -0.01 -0.04 0.36 -0.06 0.05 -0.00 0.04 -0.02 -0.04 -0.00 0.04 0.09 -0.03 -0.07 -0.06 0.05 -0.08 0.01 -0.02 0.08 0.02 -0.00 -0.01 -0.01 -0.03 0.02 0.04 -0.02 -0.00 0.00 -0.00 -0.01 0.00 -0.02 0.00 0.03 -0.02 0.02 -0.01 0.01 0.00 0.01 -0.01 0.01 -0.01 0.00 0.00 -0.01 0.00 0.00 -0.01 0.00 0.00 -0.04 0.00 -0.01 -0.00 -0.00 0.03 -0.03 0.02 -0.02 -0.00 0.00 -0.00 -0.02 0.01 -0.01 -0.00 -0.00 0.02 -0.15 0.14 0.06 0.02 0.01 -0.04 0.29 0.14 0.12 -0.11 -0.05 -0.09 -0.28 0.08 0.45 0.10 -0.08 0.23 0.09 -0.02 -0.04 -0.02 0.05 -0.02 -0.02 0.05 0.02 -0.07 0.09 -0.31 -0.16 0.08 -0.01 -0.08 0.07 -0.21 0.02 0.00 -0.00 0.02 -0.01 0.00 -0.01 -0.00 -0.02 -0.00 0.02 0.01 0.01 0.00 -0.01 0.02 -0.01 -0.00 0.02 0.01 -0.01 0.01 -0.01 -0.01 -0.00 -0.02 0.02 0.29 -0.04 0.04 0.07 -0.05 0.04 0.01 0.01 -0.06 0.30 -0.06 0.04 -0.02 -0.01 -0.04 0.02 0.01 0.01 -0.06 0.03 0.00 0.07 -0.04 -0.03 0.05 -0.02 -0.02 0.21 -0.04 -0.07 0.00 -0.01 0.03 -0.01 0.00 0.04 -0.02 0.01 0.03 0.01 0.01 0.01 -0.03 0.01 0.01 0.01 -0.00 -0.02 -0.02 0.01 -0.00 -0.06 0.01 0.03 -0.06 0.00 0.02 -0.06 0.02 0.02 0.01 0.00 0.01 -0.01 0.01 -0.01 0.00 -0.00 0.01 -0.06 0.01 0.02 0.00 0.01 -0.06 -0.08 0.00 0.04 0.16 -0.33 -0.09 -0.04 0.16 0.01 -0.08 0.01 0.02 0.07 0.01 -0.01 0.07 -0.03 -0.09 0.05 -0.07 0.22 -0.05 0.01 -0.04 0.07 -0.03 -0.03 -0.03 -0.04 -0.02 0.03 -0.06 0.21 0.03 -0.01 -0.02 -0.08 0.06 -0.15 0.17 0.05 -0.05 0.15 -0.09 -0.01 -0.12 -0.02 -0.17 0.00 0.19 0.07 0.12 -0.03 -0.13 0.16 -0.07 0.01 0.17 0.03 -0.01 0.12 -0.06 -0.12 -0.03 -0.14 0.15 0.35 -0.07 0.06 -0.05 0.03 -0.01 0.00 -0.00 0.01 0.30 -0.05 -0.02 -0.02 0.02 -0.03 0.02 -0.00 0.00 -0.10 0.04 0.02 0.09 -0.04 -0.09 0.10 -0.05 0.01 -0.14 0.02 0.05 0.00 -0.02 0.01 -0.01 -0.00 0.05 -0.03 0.01 0.04 0.01 -0.00 0.01 -0.04 0.01 0.03 0.01 0.00 -0.05 -0.04 0.02 0.00 0.04 -0.01 -0.02 0.04 -0.00 -0.01 0.04 -0.01 -0.01 -0.04 0.01 -0.02 -0.02 0.01 -0.01 -0.01 0.00 0.01 0.05 -0.01 -0.02 -0.03 -0.00 0.03 0.06 -0.01 -0.02 0.16 -0.24 -0.06 0.05 0.04 -0.05 0.24 0.09 0.08 -0.09 -0.04 -0.07 0.11 -0.04 -0.13 0.13 -0.14 0.49 0.02 -0.00 -0.03 0.03 0.01 -0.03 -0.00 0.00 -0.00 0.02 -0.05 0.21 -0.00 0.01 -0.05 -0.19 0.16 -0.40 -0.11 -0.03 0.04 -0.10 0.06 0.01 0.08 0.01 0.11 -0.00 -0.12 -0.05 -0.08 0.02 0.08 -0.11 0.05 -0.01 -0.11 -0.02 0.01 -0.08 0.04 0.08 0.02 0.08 -0.10 0.04 0.00 -0.01 -0.03 0.01 -0.01 0.02 -0.00 -0.04 0.06 -0.02 0.05 0.04 0.01 0.07 -0.00 -0.02 -0.04 -0.03 -0.00 0.06 -0.01 0.02 -0.07 0.06 -0.04 0.04 0.07 -0.01 -0.02 0.00 0.02 -0.05 -0.00 0.00 -0.01 -0.00 0.00 0.00 -0.02 -0.01 -0.02 0.01 -0.01 0.03 -0.01 0.01 -0.04 -0.01 0.00 0.02 -0.02 0.00 0.01 -0.02 0.00 0.00 -0.02 0.00 0.00 0.05 -0.02 0.02 -0.01 0.01 0.01 -0.02 0.01 -0.01 -0.03 0.01 0.01 0.06 -0.01 0.00 -0.04 0.01 -0.00 -0.09 0.42 0.10 0.18 -0.39 -0.09 -0.11 -0.07 -0.09 -0.15 -0.02 0.04 0.08 -0.02 -0.13 0.09 -0.07 0.24 0.05 0.00 0.08 -0.11 0.03 0.05 0.06 0.05 0.03 -0.03 0.03 -0.09 -0.02 0.02 -0.05 -0.13 0.11 -0.29 0.04 0.01 -0.02 0.04 -0.03 -0.01 -0.03 -0.01 -0.04 0.00 0.05 0.02 0.04 -0.01 -0.04 0.05 -0.02 0.01 0.05 0.01 0.00 0.04 -0.02 -0.03 -0.01 -0.03 0.04 -0.39 0.08 -0.04 0.06 -0.04 0.02 0.03 -0.00 -0.07 -0.24 0.05 -0.04 0.01 -0.03 0.01 -0.00 0.01 -0.02 -0.00 -0.00 0.02 -0.01 0.01 -0.01 0.01 -0.01 0.01 -0.03 0.01 0.01 -0.00 0.01 0.01 -0.00 0.00 -0.01 0.00 -0.00 0.00 -0.01 0.01 -0.00 0.00 -0.00 0.01 -0.00 0.00 -0.01 -0.00 -0.00 0.01 0.01 -0.00 -0.00 0.01 -0.00 -0.00 0.01 -0.00 -0.00 -0.01 -0.01 0.10 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.01 -0.00 -0.00 -0.03 0.03 -0.10 0.01 -0.00 -0.01 -0.03 0.12 0.02 0.05 -0.12 -0.02 -0.11 -0.04 -0.02 0.23 0.05 0.08 0.02 -0.01 -0.04 0.01 -0.01 0.03 -0.02 0.01 0.02 0.00 -0.03 0.01 0.00 -0.02 -0.01 -0.01 0.01 -0.03 0.00 0.00 -0.01 -0.02 0.02 -0.05 -0.02 -0.01 0.01 -0.02 0.01 0.00 0.01 0.00 0.01 0.00 -0.02 -0.01 -0.02 0.00 0.02 -0.02 0.01 -0.00 -0.03 -0.01 0.00 -0.02 0.01 0.02 0.01 0.01 -0.01 0.69 -0.15 0.21 0.02 -0.01 0.00 0.00 -0.00 -0.02 -0.51 0.13 -0.18 0.03 -0.08 0.02 -0.01 0.01 -0.03 0.00 -0.01 0.04 -0.02 0.01 -0.02 0.01 -0.01 0.01 -0.02 0.00 0.01 -0.03 0.02 0.02 -0.00 0.00 -0.01 0.01 -0.00 -0.00 -0.01 0.03 0.01 0.01 -0.01 0.01 -0.01 0.01 -0.01 -0.00 -0.00 0.01 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.02 0.04 -0.07 -0.01 0.00 0.00 -0.00 0.00 -0.01 0.02 -0.00 -0.01 -0.06 0.00 0.03 0.02 -0.01 0.01 -0.04 0.21 0.04 0.04 -0.16 -0.00 -0.33 -0.13 -0.09 0.60 0.16 0.14 0.04 -0.01 -0.07 0.02 -0.01 0.03 -0.06 0.02 0.02 0.03 -0.08 0.03 -0.04 -0.06 -0.02 -0.01 0.01 -0.05 0.01 -0.00 -0.01 -0.04 0.03 -0.08 -0.01 -0.01 0.01 -0.01 0.01 0.01 0.01 0.00 0.01 -0.00 -0.01 -0.01 -0.01 -0.00 0.01 -0.02 0.00 -0.01 -0.02 -0.00 -0.01 -0.01 0.01 0.01 0.00 0.01 -0.01 0.08 -0.03 -0.07 0.04 -0.02 0.01 0.01 -0.00 -0.02 0.53 -0.11 0.13 0.02 -0.00 0.02 -0.01 -0.00 0.03 -0.00 0.02 -0.13 -0.10 0.03 0.13 0.22 -0.10 -0.10 -0.00 0.00 0.00 -0.01 0.00 -0.01 0.04 -0.02 0.01 -0.09 0.06 -0.11 -0.01 -0.00 -0.00 -0.08 0.04 0.02 0.00 -0.01 0.04 -0.07 0.07 -0.19 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.16 -0.09 0.04 -0.05 0.00 0.16 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.18 0.21 0.06 0.18 -0.26 -0.09 -0.05 -0.02 -0.02 0.06 0.02 0.03 -0.15 0.03 0.28 -0.03 0.00 0.07 0.03 0.00 0.04 -0.01 -0.01 0.00 0.00 0.03 0.01 0.08 -0.14 0.54 -0.13 0.06 0.04 0.05 -0.05 0.12 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.23 0.12 0.01 -0.01 -0.01 0.10 0.02 -0.00 0.00 -0.05 -0.03 -0.03 0.06 -0.06 -0.03 0.04 -0.02 0.11 -0.10 0.05 0.03 0.08 -0.04 -0.05 0.01 -0.00 -0.00 -0.06 -0.01 0.00 0.01 -0.00 -0.06 0.01 0.00 -0.04 0.03 0.02 0.01 0.03 -0.02 0.05 -0.06 0.04 -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 0.01 0.00 0.01 0.00 -0.00 0.01 -0.02 0.01 0.02 -0.01 0.00 0.00 0.04 -0.01 0.01 -0.01 0.00 -0.00 -0.03 0.18 0.04 -0.32 0.63 0.12 0.38 0.09 0.10 0.19 0.05 0.06 0.07 -0.00 -0.13 0.00 0.01 -0.07 -0.11 0.01 -0.07 0.03 -0.02 0.03 -0.05 -0.10 -0.05 0.02 -0.02 0.02 0.09 -0.04 -0.02 -0.09 0.08 -0.20 0.01 0.00 -0.01 0.01 -0.01 -0.00 -0.00 -0.00 -0.00 -0.00 -0.01 -0.00 0.01 -0.01 -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 -0.09 0.02 -0.01 0.11 -0.06 0.02 0.04 -0.01 -0.06 -0.13 0.03 -0.01 0.00 -0.05 -0.02 0.03 -0.04 -0.00 -0.03 0.04 -0.10 0.08 -0.04 -0.04 -0.07 0.03 0.05 0.01 -0.00 -0.00 -0.11 -0.00 -0.01 -0.03 0.00 0.08 -0.02 0.01 0.02 0.00 0.02 0.01 -0.04 0.03 -0.07 0.07 -0.04 0.02 0.02 -0.01 -0.02 0.01 0.00 0.01 -0.01 0.03 0.01 0.00 0.01 -0.01 0.02 0.01 0.01 0.01 -0.00 0.00 0.00 -0.00 0.00 -0.02 0.00 0.01 0.05 -0.01 0.01 -0.01 0.00 -0.00 -0.18 0.41 0.11 0.01 0.13 -0.07 0.46 0.09 0.10 0.42 0.12 0.15 0.01 -0.01 0.03 0.04 -0.04 0.18 -0.01 0.02 -0.03 0.06 -0.07 0.01 -0.02 -0.08 -0.03 -0.00 -0.00 0.05 -0.04 0.01 0.02 0.08 -0.06 0.15 -0.04 0.02 -0.05 -0.04 -0.04 -0.04 -0.02 -0.02 -0.06 -0.05 -0.14 -0.03 0.06 -0.15 -0.02 0.04 -0.12 -0.10 -0.01 -0.01 0.06 -0.02 -0.05 0.02 0.00 -0.05 0.04 -0.14 0.02 -0.02 -0.07 0.03 -0.00 -0.00 -0.00 0.00 -0.14 0.04 -0.01 0.00 -0.01 -0.00 0.01 -0.01 -0.00 -0.00 0.01 -0.02 0.02 -0.01 -0.01 -0.01 0.01 0.01 0.00 0.01 -0.00 -0.02 -0.00 -0.00 -0.01 0.00 0.02 -0.00 0.00 0.00 0.00 0.00 0.00 -0.01 0.01 -0.01 0.01 -0.01 0.00 0.00 -0.00 -0.00 -0.01 -0.01 -0.00 0.01 -0.09 -0.03 -0.02 -0.06 0.06 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.01 -0.00 0.00 -0.00 0.00 -0.00 -0.04 0.08 0.02 0.00 0.03 -0.01 0.09 0.02 0.02 0.08 0.02 0.03 0.00 -0.00 0.01 0.01 -0.01 0.04 -0.00 0.00 -0.01 0.01 -0.01 0.00 -0.00 -0.02 -0.01 -0.00 -0.00 0.01 -0.01 0.00 0.00 0.01 -0.01 0.03 0.04 -0.01 0.01 0.02 0.02 0.02 0.01 0.04 0.03 0.12 0.38 0.07 -0.13 0.39 0.01 -0.07 0.30 0.28 0.12 0.10 -0.35 0.19 0.27 -0.17 -0.05 0.30 -0.24 -0.03 0.00 -0.00 -0.01 0.01 -0.00 0.00 -0.00 -0.00 -0.03 0.01 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.01 0.01 -0.00 -0.00 -0.01 0.00 0.00 0.00 0.00 0.01 -0.01 -0.00 -0.00 -0.00 0.00 0.01 -0.00 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 -0.07 -0.01 -0.08 0.00 -0.04 -0.02 0.01 0.04 -0.05 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.02 0.04 0.01 -0.00 0.02 -0.01 0.04 0.01 0.01 0.04 0.01 0.01 0.00 -0.00 0.00 0.00 -0.00 0.02 -0.00 0.00 -0.00 0.00 -0.01 0.00 -0.00 -0.01 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.01 -0.01 0.01 0.32 -0.12 0.29 0.36 0.17 0.21 0.14 0.09 0.44 0.07 0.17 0.07 -0.08 0.18 0.01 -0.02 0.14 0.13 -0.06 -0.08 0.25 -0.16 -0.19 0.13 0.05 -0.19 0.20 -0.01 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.01 0.00 -0.00 -0.05 -0.01 0.02 0.05 -0.07 -0.01 0.01 0.01 -0.02 0.01 -0.01 -0.01 -0.03 0.01 0.02 -0.01 0.00 0.00 0.10 0.01 0.02 -0.03 0.01 0.04 -0.02 0.01 -0.03 0.04 -0.00 -0.02 -0.02 0.02 -0.05 0.02 -0.02 0.01 0.02 -0.01 -0.01 0.01 0.00 0.00 0.00 -0.01 -0.00 0.00 0.00 -0.01 -0.01 -0.00 -0.01 0.00 -0.00 0.01 -0.02 0.00 0.02 0.01 -0.00 -0.00 -0.04 0.01 -0.01 0.01 -0.00 0.00 -0.18 0.43 0.11 -0.15 0.41 0.00 -0.42 -0.07 -0.08 -0.32 -0.09 -0.09 0.07 -0.02 -0.08 0.06 -0.05 0.17 -0.20 -0.01 0.08 -0.16 0.05 0.14 -0.17 0.06 -0.04 0.02 -0.03 0.08 0.05 -0.03 0.01 0.03 -0.02 0.01 -0.03 0.00 -0.01 -0.03 -0.00 -0.01 -0.01 -0.01 -0.03 0.01 0.02 0.00 -0.02 0.02 0.01 -0.02 0.02 0.01 -0.02 -0.01 0.02 -0.02 -0.01 0.02 0.01 -0.02 0.02 0.11 -0.02 0.02 0.05 -0.03 0.02 0.05 -0.02 -0.08 0.11 -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 0.01 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.05 -0.01 -0.06 -0.01 0.07 0.03 -0.02 -0.05 0.06 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.01 0.00 -0.00 0.01 -0.00 -0.00 -0.01 0.02 0.00 -0.01 0.02 0.00 -0.04 -0.01 -0.01 -0.04 -0.01 -0.01 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 -0.00 0.00 -0.00 0.01 0.00 -0.00 0.00 0.00 0.00 -0.00 0.25 -0.09 0.20 0.27 0.12 0.15 0.10 0.07 0.32 -0.11 -0.30 -0.07 0.12 -0.30 -0.02 0.07 -0.23 -0.22 0.10 0.08 -0.30 0.18 0.22 -0.15 -0.05 0.25 -0.21 0.02 -0.00 0.00 0.01 -0.00 0.00 0.00 -0.00 -0.01 -0.00 -0.00 -0.00 -0.02 -0.01 0.01 0.06 -0.05 -0.02 -0.10 0.06 0.00 0.04 -0.01 -0.04 0.06 -0.02 -0.03 -0.00 0.00 0.00 0.02 0.00 0.00 0.03 -0.01 -0.03 0.01 -0.02 0.12 0.02 0.00 -0.01 0.00 -0.02 0.11 0.03 -0.01 -0.04 -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 0.03 -0.01 -0.02 0.05 -0.02 -0.09 0.00 -0.00 -0.00 -0.01 0.00 -0.00 0.00 -0.00 0.00 -0.13 0.22 0.03 -0.05 0.14 0.02 -0.07 -0.01 -0.01 -0.05 -0.01 -0.01 -0.17 0.06 0.25 -0.16 0.13 -0.31 -0.09 0.00 0.03 -0.06 0.01 0.07 -0.08 0.01 -0.02 -0.12 0.11 -0.26 -0.25 0.15 -0.07 -0.02 -0.01 0.16 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.02 -0.00 0.00 -0.36 0.19 -0.05 -0.24 0.08 0.34 0.02 -0.00 0.00 -0.03 -0.00 0.00 0.02 -0.02 -0.01 0.00 0.00 0.00 0.00 0.00 -0.01 0.00 -0.00 0.00 -0.00 0.00 0.00 0.05 -0.01 -0.02 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.09 0.04 0.02 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.01 0.00 -0.00 0.00 -0.00 0.00 -0.07 0.10 0.02 -0.08 0.12 0.04 -0.21 0.26 0.08 -0.14 -0.07 0.28 0.01 -0.00 -0.01 0.00 -0.00 0.02 0.49 0.05 -0.12 0.33 -0.29 -0.20 0.39 -0.26 0.04 -0.00 0.00 -0.01 -0.00 0.00 -0.00 0.00 -0.00 0.01 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.01 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 0.01 -0.01 0.01 0.00 -0.01 0.00 0.01 0.03 -0.01 0.00 -0.00 0.00 -0.00 -0.03 0.02 -0.01 0.07 -0.05 0.09 -0.00 0.01 -0.06 -0.01 -0.00 0.05 0.00 -0.00 -0.00 -0.00 0.01 0.01 -0.08 0.04 0.02 -0.07 0.05 -0.10 -0.00 -0.00 0.01 0.02 -0.02 0.07 0.06 -0.02 -0.06 -0.05 0.04 -0.12 -0.00 -0.01 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.02 -0.02 0.08 0.06 -0.03 -0.01 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.16 -0.12 -0.02 -0.05 0.06 0.00 0.03 -0.09 -0.03 0.01 0.01 -0.11 0.14 -0.03 -0.29 0.09 -0.10 0.33 -0.02 -0.01 -0.09 0.00 0.07 -0.04 0.07 -0.04 0.01 -0.11 0.12 -0.32 -0.19 0.11 -0.09 0.16 -0.15 0.45 0.04 -0.00 -0.00 -0.04 0.01 0.00 0.01 0.06 -0.02 0.02 -0.02 0.06 -0.03 0.02 0.02 0.04 -0.02 -0.01 -0.04 -0.00 0.02 0.03 -0.00 -0.02 -0.02 -0.04 -0.04 0.00 -0.00 0.00 0.02 -0.02 0.10 -0.15 0.03 0.31 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.01 0.00 -0.01 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.01 -0.00 -0.00 0.01 -0.00 0.01 0.00 0.00 -0.00 -0.00 0.00 -0.01 -0.01 0.00 0.00 0.00 -0.00 0.01 -0.00 -0.03 0.01 -0.01 0.01 -0.03 0.01 0.02 0.02 -0.00 -0.00 -0.00 -0.00 0.00 -0.01 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.01 0.01 0.00 0.00 -0.00 0.00 -0.00 0.01 0.00 -0.00 -0.00 0.01 -0.01 0.00 0.02 -0.01 0.01 -0.03 0.00 0.00 0.01 -0.00 -0.01 0.00 -0.00 0.00 -0.00 0.01 -0.01 0.03 0.02 -0.01 0.01 -0.01 0.01 -0.04 0.26 -0.02 0.01 -0.29 0.10 0.02 0.04 0.40 -0.12 0.10 -0.16 0.37 -0.19 0.15 0.11 0.28 -0.12 -0.05 -0.26 -0.03 0.11 0.22 0.00 -0.15 -0.14 -0.27 -0.27 -0.00 0.00 -0.00 -0.00 0.00 -0.01 0.01 -0.00 -0.02 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 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 -0.04 -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 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.01 -0.00 -0.00 0.00 -0.01 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.25 -0.07 0.17 0.09 0.13 0.12 -0.06 -0.24 -0.06 -0.10 -0.27 -0.05 0.28 0.29 -0.31 0.45 0.09 0.23 -0.29 0.02 -0.12 -0.05 0.24 0.02 -0.01 -0.18 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 0.03 -0.02 -0.03 0.00 -0.00 0.02 -0.03 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 0.01 0.00 0.00 -0.00 0.01 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.14 -0.16 0.38 -0.20 0.37 0.24 -0.06 0.03 -0.26 -0.07 0.04 -0.21 0.14 -0.05 -0.10 -0.08 0.09 0.06 0.27 -0.06 0.25 0.22 -0.35 -0.14 -0.07 0.11 -0.21 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.01 -0.01 -0.01 -0.02 0.02 0.01 0.00 -0.01 0.01 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.01 -0.04 -0.06 -0.00 0.00 -0.00 -0.00 0.00 -0.01 0.04 -0.01 0.00 0.00 -0.00 0.01 0.00 -0.00 -0.00 -0.00 0.00 -0.01 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.01 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.12 -0.05 0.00 0.07 -0.04 -0.07 -0.14 0.57 0.20 -0.02 -0.08 0.63 -0.00 -0.00 -0.01 0.01 -0.01 0.02 -0.21 -0.02 -0.05 -0.19 0.14 0.14 -0.21 0.01 -0.06 -0.01 0.01 -0.03 -0.02 0.01 -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 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.01 0.00 0.00 -0.01 0.00 -0.01 -0.00 0.01 0.00 0.00 -0.00 0.00 -0.02 0.03 0.00 0.02 -0.01 0.01 -0.01 -0.00 0.02 0.01 0.01 0.00 -0.00 -0.01 0.02 0.01 -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 0.01 0.00 -0.00 0.00 -0.00 0.01 0.00 -0.00 0.01 -0.00 -0.02 0.05 -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 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.01 -0.01 -0.00 -0.01 0.00 -0.01 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.07 0.05 0.00 -0.00 -0.03 0.03 -0.04 -0.03 -0.02 0.01 0.00 -0.01 0.01 -0.01 -0.00 -0.02 0.02 -0.04 -0.31 -0.05 -0.54 -0.05 0.57 -0.26 0.38 -0.20 0.07 0.02 -0.02 0.04 0.04 -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 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.05 0.03 -0.01 -0.01 0.01 -0.00 0.01 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.01 -0.02 -0.03 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 0.01 -0.01 0.00 -0.02 0.01 -0.02 -0.02 -0.02 -0.02 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.03 -0.05 0.12 -0.17 0.14 0.07 -0.01 0.13 -0.13 0.06 -0.18 0.30 -0.12 0.17 0.05 0.30 -0.11 -0.03 0.39 0.05 -0.15 -0.29 -0.06 0.22 0.19 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 -0.03 0.02 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.01 -0.03 0.01 -0.00 -0.00 0.03 0.01 -0.01 -0.01 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.38 0.01 -0.04 -0.33 0.03 -0.05 0.06 0.49 -0.09 -0.14 0.04 -0.38 0.29 -0.07 -0.22 -0.11 0.17 0.14 -0.09 0.04 -0.14 -0.16 0.17 0.10 0.07 -0.02 0.16 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.01 -0.01 0.02 0.01 0.07 -0.03 -0.03 -0.05 0.04 -0.10 0.04 -0.04 0.13 0.00 -0.00 0.00 -0.00 -0.00 -0.01 -0.01 -0.01 0.10 -0.03 0.01 0.05 0.00 -0.01 -0.01 0.03 -0.00 -0.09 -0.12 0.07 -0.02 -0.04 0.01 0.03 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.10 -0.06 0.04 0.01 0.01 -0.10 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.10 -0.08 -0.05 -0.07 -0.04 0.11 0.01 0.06 0.02 -0.00 -0.01 0.05 0.25 -0.10 -0.24 -0.13 0.09 -0.17 0.01 0.00 0.16 0.03 -0.08 0.01 -0.07 0.13 0.02 0.15 -0.12 0.23 0.43 -0.23 0.03 -0.04 0.01 0.06 0.01 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.01 0.00 -0.01 0.01 -0.02 0.01 -0.01 -0.01 -0.01 0.01 0.00 -0.01 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.01 -0.00 -0.00 0.00 -0.00 -0.37 0.19 0.00 -0.22 0.08 0.20 -0.00 0.00 0.00 -0.01 -0.03 -0.01 0.02 0.00 -0.01 -0.00 0.00 0.01 0.00 -0.00 0.00 -0.00 0.00 -0.01 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.02 -0.04 -0.02 -0.00 -0.00 0.01 0.01 -0.01 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.01 0.00 -0.00 -0.00 -0.00 0.01 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.08 0.01 -0.03 -0.06 0.03 0.07 -0.01 0.09 0.04 0.03 0.00 0.12 -0.01 0.00 0.00 0.01 -0.01 0.03 -0.27 -0.02 0.41 0.29 0.11 -0.39 0.25 0.57 0.26 -0.02 0.01 -0.03 -0.04 0.02 -0.01 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -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 -0.01 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.05 -0.01 -0.02 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.01 -0.01 -0.02 0.02 0.01 -0.00 0.02 -0.01 0.00 0.01 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.01 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 0.01 -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 0.01 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.16 -0.13 0.32 -0.09 0.29 0.21 -0.08 -0.06 -0.23 0.08 0.22 0.07 -0.19 -0.21 0.22 -0.29 -0.09 -0.17 -0.30 0.05 -0.23 -0.14 0.34 0.08 0.03 -0.18 0.16 -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 -0.01 -0.00 -0.07 -0.03 0.03 -0.01 0.00 -0.01 0.00 -0.00 0.02 0.01 -0.01 0.02 -0.00 0.00 0.00 0.00 0.01 0.01 0.02 -0.01 -0.00 0.00 -0.00 -0.00 -0.01 -0.00 -0.00 0.01 -0.00 -0.01 -0.04 0.02 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 -0.01 0.01 0.01 0.02 -0.01 -0.03 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.60 0.22 0.24 0.30 0.27 -0.56 -0.01 -0.05 -0.01 0.00 0.01 -0.04 -0.01 -0.00 0.03 -0.02 0.01 -0.06 -0.01 0.00 0.03 0.07 0.01 -0.09 0.10 0.05 0.04 0.03 -0.02 0.04 0.07 -0.04 0.01 -0.01 -0.00 0.03 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.01 -0.00 0.01 -0.04 0.01 0.06 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.04 0.01 0.01 0.09 -0.06 0.04 -0.04 0.04 -0.12 -0.05 0.04 -0.08 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.09 0.04 0.05 -0.04 0.01 0.11 0.00 -0.00 -0.00 -0.04 0.01 0.05 0.13 -0.06 -0.02 0.09 -0.05 0.04 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.18 -0.09 -0.05 -0.15 0.06 0.10 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.30 -0.04 0.06 0.05 0.12 -0.16 0.01 -0.00 0.00 -0.01 -0.00 -0.01 0.07 -0.01 -0.19 -0.22 0.16 -0.33 0.01 -0.00 0.01 0.01 -0.01 -0.00 -0.00 0.01 0.00 -0.11 0.08 -0.14 -0.22 0.12 -0.06 -0.03 0.06 -0.30 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.32 0.18 -0.11 0.12 -0.02 -0.31 0.00 0.00 0.00 0.00 0.01 -0.00 -0.03 0.01 0.02 0.15 -0.06 -0.14 -0.23 0.11 0.08 0.21 -0.09 -0.11 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.19 0.07 0.20 0.14 -0.08 0.05 -0.00 -0.00 0.00 -0.15 0.09 -0.05 0.26 -0.14 0.00 -0.07 0.01 0.15 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.21 0.11 -0.00 0.14 -0.05 -0.18 0.00 0.00 -0.00 -0.01 0.00 -0.00 0.00 -0.00 0.00 -0.02 0.00 0.02 0.01 0.00 -0.02 0.00 -0.00 0.00 -0.02 -0.00 -0.01 0.16 -0.04 -0.29 0.05 0.01 -0.22 0.02 -0.00 -0.01 -0.00 -0.00 0.00 -0.00 -0.01 -0.00 -0.09 0.01 0.20 -0.26 0.14 -0.04 -0.17 0.10 -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 -0.01 0.00 0.00 0.19 -0.10 0.03 -0.12 0.04 0.19 0.01 -0.00 -0.00 0.00 0.00 0.00 -0.01 -0.00 0.02 0.03 0.02 -0.22 0.00 -0.00 0.01 0.00 0.01 -0.04 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.06 -0.01 0.23 0.10 -0.07 0.13 -0.00 -0.00 0.00 0.12 -0.10 0.21 -0.13 0.10 -0.15 -0.01 0.03 -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 -0.11 0.07 -0.10 -0.02 -0.02 0.18 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.12 0.08 0.03 0.04 -0.04 -0.02 0.00 -0.00 -0.00 -0.01 -0.00 -0.00 0.31 -0.13 -0.26 -0.01 0.04 -0.19 0.01 -0.00 -0.01 -0.00 0.00 0.00 -0.00 -0.01 -0.00 -0.03 0.07 -0.32 0.26 -0.12 -0.13 0.13 -0.09 0.14 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.01 0.00 0.00 0.23 -0.11 -0.09 0.22 -0.09 -0.14 0.01 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.02 -0.01 0.03 -0.17 0.06 -0.07 0.20 -0.08 0.08 -0.23 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.04 -0.00 0.13 -0.12 0.10 -0.21 -0.00 -0.00 0.00 0.07 -0.07 0.18 -0.06 0.05 -0.09 0.06 -0.07 0.26 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.13 -0.08 0.12 0.01 0.02 -0.19 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.12 0.06 0.01 0.04 -0.05 -0.01 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.15 -0.07 -0.12 0.09 -0.10 0.34 0.01 -0.00 -0.01 -0.00 0.00 0.00 0.00 -0.01 0.00 -0.07 0.09 -0.28 0.10 -0.04 -0.09 -0.16 0.13 -0.30 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.20 0.09 0.10 -0.20 0.09 0.09 -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 -0.02 0.00 0.01 -0.08 0.01 -0.02 0.00 -0.00 -0.01 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.41 -0.11 0.20 0.00 -0.00 0.00 -0.00 0.00 0.00 0.06 -0.01 -0.02 -0.40 0.11 -0.19 0.03 -0.01 0.01 -0.00 -0.01 -0.01 -0.01 0.01 0.01 0.23 0.02 0.04 -0.09 -0.01 0.04 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.01 0.01 -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 0.00 -0.01 -0.00 0.00 0.00 0.01 -0.00 -0.01 -0.00 0.00 0.01 -0.00 0.01 0.00 0.00 0.00 -0.00 0.01 0.00 -0.01 -0.00 -0.00 0.01 -0.01 -0.51 0.05 0.12 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.46 -0.05 -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 0.08 -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 0.01 0.00 0.00 0.00 -0.01 -0.00 0.00 0.00 -0.01 -0.01 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.65 0.11 0.20 -0.10 0.01 0.03 0.67 -0.10 -0.21 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.01 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.01 0.01 -0.00 -0.01 -0.00 0.00 0.00 -0.01 -0.02 0.02 0.02 0.00 -0.01 0.00 -0.00 -0.00 -0.00 0.01 -0.00 0.00 0.01 -0.01 -0.00 -0.00 0.01 -0.02 0.01 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.05 0.00 0.04 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.01 -0.00 0.02 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.03 0.01 -0.06 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.01 0.01 0.00 0.01 0.03 0.11 -0.24 0.02 -0.07 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.01 0.17 -0.02 -0.10 -0.05 -0.12 -0.23 -0.28 0.85 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.01 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.01 0.02 -0.07 0.00 -0.00 0.00 -0.00 0.00 0.00 0.01 0.00 -0.02 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.02 0.01 0.00 0.01 -0.10 -0.38 0.85 -0.04 0.19 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.03 -0.01 -0.02 -0.01 -0.03 -0.07 -0.08 0.25 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -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 0.00 0.00 -0.00 0.03 0.03 -0.06 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.18 -0.32 0.90 -0.16 -0.06 -0.15 0.00 -0.00 0.02 0.01 -0.03 -0.00 0.00 -0.00 0.00 0.03 -0.01 -0.02 -0.00 -0.01 0.00 0.01 0.01 0.01 -0.01 -0.00 0.02 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 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 -0.02 0.00 -0.00 -0.00 0.01 0.02 -0.02 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.02 0.38 0.13 -0.09 -0.25 0.29 0.41 -0.08 -0.15 -0.01 0.00 0.00 0.01 0.00 0.01 0.00 0.01 -0.01 0.02 -0.36 -0.13 0.24 0.05 0.29 -0.40 0.08 0.13 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.02 0.00 0.01 -0.01 0.03 0.02 0.01 0.01 -0.02 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -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 -0.23 -0.08 0.06 0.16 -0.18 -0.26 0.05 0.09 0.46 -0.08 -0.16 -0.27 -0.05 -0.31 -0.08 -0.24 0.28 0.02 -0.25 -0.09 0.17 0.03 0.20 -0.28 0.06 0.09 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.02 -0.00 -0.02 -0.01 0.03 0.01 -0.01 -0.02 0.02 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.01 0.28 0.10 -0.07 -0.19 0.22 0.30 -0.06 -0.11 0.41 -0.07 -0.14 -0.24 -0.05 -0.27 -0.07 -0.21 0.24 -0.02 0.28 0.10 -0.19 -0.04 -0.22 0.31 -0.06 -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 0.02 -0.08 0.01 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.01 -0.01 0.04 0.02 0.01 0.02 0.03 0.06 -0.17 -0.23 0.95 0.06 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.03 0.00 0.00 0.00 0.00 -0.01 -0.01 0.02 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.01 0.02 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.04 -0.01 -0.05 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.02 -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 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.04 -0.06 0.16 0.54 0.21 0.43 -0.00 -0.00 0.01 0.00 -0.01 0.00 -0.01 0.00 -0.00 0.01 -0.00 -0.00 -0.01 0.44 -0.01 -0.31 -0.19 -0.31 0.04 0.04 -0.14 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.04 0.01 0.04 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.03 -0.03 0.04 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.03 0.04 -0.10 -0.49 -0.19 -0.38 -0.00 -0.01 0.01 -0.01 0.05 0.00 0.01 -0.00 0.00 -0.01 0.00 0.00 -0.02 0.52 -0.01 -0.34 -0.20 -0.33 0.04 0.04 -0.13 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.04 -0.02 -0.04 0.01 0.00 0.00 -0.06 0.03 0.01 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.01 0.33 0.12 -0.04 -0.16 0.17 -0.48 0.09 0.16 -0.08 0.01 0.03 -0.06 -0.01 -0.08 0.00 -0.00 0.00 0.01 -0.35 -0.12 0.16 0.04 0.21 0.52 -0.10 -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 0.04 -0.01 -0.03 -0.07 -0.01 0.00 0.03 -0.01 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -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 0.18 0.06 -0.06 -0.18 0.20 -0.39 0.08 0.13 0.51 -0.10 -0.19 0.29 0.06 0.35 0.04 0.15 -0.18 0.00 0.09 0.03 -0.14 -0.03 -0.17 -0.26 0.05 0.09 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.04 0.01 0.03 -0.06 -0.01 -0.01 -0.04 0.03 0.01 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.01 -0.00 -0.00 0.00 -0.19 -0.06 0.05 0.17 -0.19 0.38 -0.07 -0.12 0.41 -0.08 -0.15 0.26 0.06 0.32 0.02 0.09 -0.10 0.01 -0.33 -0.11 0.09 0.02 0.12 0.41 -0.08 -0.14 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.01 -0.07 0.02 0.00 0.00 -0.01 0.03 0.03 0.03 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.03 0.54 0.21 0.13 0.36 -0.44 0.00 -0.02 0.00 -0.05 0.01 0.02 0.02 0.00 0.02 -0.02 -0.07 0.08 0.02 -0.29 -0.10 -0.27 -0.05 -0.33 -0.10 0.03 0.04 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.05 0.01 -0.01 -0.00 -0.00 -0.03 -0.05 -0.05 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.02 0.36 0.14 0.08 0.23 -0.28 -0.02 -0.01 0.01 0.09 -0.02 -0.03 0.06 0.01 0.07 0.01 0.02 -0.02 -0.04 0.54 0.18 0.38 0.06 0.46 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 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.01 0.01 -0.01 -0.00 0.03 -0.09 -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 -0.00 -0.00 -0.00 -0.00 0.00 -0.02 0.01 0.01 0.00 -0.03 -0.01 -0.02 -0.06 0.07 -0.05 0.01 0.02 -0.15 0.03 0.04 0.35 0.08 0.39 -0.18 -0.53 0.59 -0.00 0.03 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 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.03 -0.08 -0.03 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 0.02 0.01 0.02 0.00 0.00 -0.00 -0.00 0.02 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.03 0.71 -0.03 0.45 0.26 0.46 -0.01 -0.02 -0.01 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.01 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.01 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.01 0.02 -0.08 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.01 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -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 -0.11 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.19 -0.22 0.94 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.01 0.02 -0.08 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.01 0.00 -0.01 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.01 0.02 0.01 -0.02 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.18 -0.20 0.95 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.02 -0.03 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 0.03 -0.02 0.03 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.04 0.02 0.02 0.01 0.00 -0.05 0.01 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 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 -0.38 0.27 -0.34 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.45 -0.20 -0.22 -0.09 -0.06 0.59 -0.07 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 -0.01 0.00 0.00 -0.02 0.03 -0.02 0.02 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.01 -0.00 0.01 -0.01 0.00 0.01 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.01 -0.04 0.02 0.02 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.05 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 -0.01 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.07 0.05 -0.06 0.10 -0.05 -0.06 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.03 0.01 0.01 -0.01 -0.01 0.06 0.44 -0.19 -0.23 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.01 0.01 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.07 -0.04 0.53 -0.44 0.28 -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 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.04 0.03 -0.04 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.05 0.02 0.02 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.01 0.00 -0.00 0.00 -0.00 0.00 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 0.47 -0.32 0.41 0.02 -0.01 -0.01 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.58 -0.25 -0.28 -0.01 -0.00 0.06 -0.03 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 -0.01 0.00 0.00 -0.00 0.00 -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 0.12 -0.05 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 -0.01 0.00 0.01 0.00 0.00 -0.00 0.01 -0.00 -0.00 -0.00 -0.00 0.01 0.05 -0.02 -0.03 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.01 0.00 -0.06 -0.01 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.01 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.04 0.03 -0.04 0.15 -0.07 -0.09 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.07 0.03 0.03 0.01 0.01 -0.06 -0.56 0.24 0.29 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.01 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.01 -0.01 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.09 -0.05 0.69 0.05 -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 -0.02 0.02 -0.02 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.03 -0.02 -0.01 0.01 0.01 -0.07 -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 -0.01 -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 0.25 -0.17 0.22 0.04 -0.02 -0.02 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.37 0.16 0.17 -0.11 -0.07 0.75 0.09 -0.04 -0.05 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.02 -0.01 0.12 0.16 -0.10 0.13 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -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 0.01 0.01 0.00 -0.00 -0.00 -0.01 0.01 0.00 -0.00 -0.00 0.02 -0.04 0.02 0.02 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.01 0.00 -0.03 -0.04 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 -0.01 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.07 0.05 -0.06 0.18 -0.08 -0.10 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.13 -0.06 -0.06 0.03 0.02 -0.21 0.40 -0.17 -0.21 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.01 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 -0.05 -0.02 0.32 0.50 -0.32 0.41 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.07 0.03 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 0.03 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 0.01 -0.04 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.01 -0.01 0.01 0.77 -0.35 -0.42 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 -0.05 0.02 0.02 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.04 0.02 -0.29 -0.08 0.05 -0.06 0.00 0.00 -0.00 7 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 298.150 1.00000 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 7 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 14.00307 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 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 1.00783 1.00783 1.00783 1.00783 1.00783 291.19870 0.99991 -0.00992 -0.00919 0.00983 0.99991 -0.00878 0.00928 0.00869 0.99992 asymmetric 1 0.01976 0.00946 0.00845 0.41181 0.19708 0.17604 1059646.7 21.42 25.50 55.81 69.26 79.66 105.03 132.16 168.83 215.14 219.84 256.00 276.77 339.80 344.92 358.81 387.43 416.42 426.19 430.75 437.17 509.43 519.73 537.79 565.04 597.96 600.77 635.30 640.20 654.89 690.39 746.50 749.11 790.23 804.38 822.10 848.09 899.04 949.46 995.27 1064.23 1073.90 1136.61 1154.16 1159.24 1179.41 1217.53 1250.74 1270.01 1287.80 1346.22 1348.99 1349.65 1376.42 1401.46 1406.91 1408.53 1427.00 1433.74 1443.51 1471.51 1496.34 1513.56 1516.22 1524.19 1585.95 1594.96 1604.95 1629.51 1669.51 1677.32 1704.87 1712.64 1742.82 1750.21 1754.63 1771.15 1800.88 1818.40 1845.43 1852.61 1875.25 1896.40 1923.89 1986.44 1993.24 2003.42 2004.29 2005.00 2026.72 2039.37 2046.70 2100.92 2113.39 2113.68 2118.73 2119.87 2120.77 2134.09 2135.28 2135.53 2141.73 2151.64 2155.75 2170.73 2222.55 2317.07 2345.84 2384.42 2422.05 3312.23 4232.97 4242.73 4311.91 4346.26 4347.69 4355.81 4361.39 4411.75 4414.41 4446.46 4447.29 4452.91 4454.44 4456.61 4466.65 4473.77 4502.34 4541.67 4550.10 4554.10 4561.32 4566.57 4583.63 4585.94 4610.41 0.403598 0.425388 0.426332 0.351389 -869.847214 -869.825424 -869.824480 -869.899423 266.935 84.913 157.730 0.000 0.000 0.000 0.889 2.981 42.904 0.889 2.981 34.375 265.157 78.951 80.451 1 0.593 1.986 7.220 2 0.593 1.986 6.874 3 0.594 1.981 5.320 4 0.595 1.978 4.892 5 0.596 1.975 4.616 6 0.599 1.967 4.071 7 0.602 1.955 3.620 8 0.608 1.935 3.144 9 0.618 1.903 2.678 10 0.619 1.900 2.637 11 0.628 1.869 2.350 12 0.634 1.850 2.205 13 0.655 1.785 1.832 14 0.657 1.780 1.805 15 0.662 1.764 1.735 16 0.674 1.730 1.601 17 0.686 1.693 1.477 18 0.690 1.681 1.438 19 0.692 1.675 1.420 20 0.695 1.666 1.396 21 0.730 1.567 1.148 22 0.735 1.552 1.117 23 0.745 1.526 1.064 24 0.760 1.486 0.990 25 0.779 1.436 0.907 26 0.781 1.432 0.900 27 0.801 1.380 0.822 28 0.804 1.372 0.811 29 0.814 1.349 0.780 30 0.836 1.295 0.710 31 0.874 1.208 0.613 32 0.876 1.204 0.608 33 0.904 1.141 0.546 34 0.915 1.120 0.526 35 0.928 1.093 0.502 36 0.947 1.054 0.468 0.103359e+25 24.014350 55.295084 0.728826e+09 8.862624 20.406946 0.100000e+01 0.000000 0.000000 0.195316e+09 8.290738 19.090130 0.726086e+07 6.860988 15.798008 ./ancestor::cml:module[@dictRef='cc:finalization']/cml:molecule[@id='mol9999'] 0.5588 0.4295 -0.7489 1.0284 -112.0777 -139.5819 -125.7477 -8.4920 -7.0056 -0.4441 13.7248 -13.7795 0.0547 -8.4920 -7.0056 -0.4441 6.0225 -23.2787 1.1207 -7.8495 -11.9333 0.4315 6.9766 12.2806 -7.6542 8.1120 -5673.7850 -2397.2734 -1360.1493 -57.0744 -50.8676 -119.7972 -11.3229 -7.8894 -29.9060 -1383.0431 -1273.4023 -635.4344 10.1567 -17.1898 -25.6223 (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A) (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(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 -870.2508119 1.797E-9 3.294E-5 0.4035981 0.4253877 -869.8254242 -869.82448 -869.8994225 9.8135841,-10.0089393,0.1953552,6.7026829,-5.3328077,0.1028667 C01 [X(C21H25N1)] -0.2185786 0.1639087 0.2984199 -1.0613614 -0.0923501 0.1392186 -0.0076901 -0.7464114 -0.0102655 0.1715065 0.0155994 -0.8579652 0.2933026 0.0230922 -0.0847786 -0.0324898 0.7173573 0.056469 -0.2449122 -0.0518897 0.5187485 0.1235972 0.1620644 -0.0304307 0.203368 -0.0492299 -0.0321949 -0.0688265 -0.0105424 -0.0563841 -0.1332848 -0.1030491 0.1767085 -0.0765311 0.0121242 0.1191869 0.1255778 0.1242143 0.1247723 -0.1067042 -0.0488625 0.0912375 -0.0713617 -0.0119413 0.0716548 0.0910428 0.0684478 0.0890858 0.4407332 0.0214637 -0.0117389 -0.0611047 0.2472705 0.0053062 -0.007294 0.0060917 0.2762527 0.5032537 -0.1669377 0.181743 -0.4781059 0.2837678 -0.0247897 0.0709236 -0.0282624 0.6299803 -0.0528916 0.1032887 -0.0412722 0.1775401 -0.1048301 0.0412271 0.1383563 0.0707556 -0.1177658 -0.0631249 0.066955 -0.0566534 0.080408 -0.1745546 -0.0410453 -0.0699742 -0.0567974 -0.0005871 0.6744068 0.1508588 -0.2176369 0.1428773 0.2163045 0.0768838 -0.2053375 0.0778654 0.5041447 0.0159705 0.0919482 -0.0516817 0.1039938 -0.1433903 0.0216611 -0.056908 0.0500398 0.0128804 -0.0556337 0.0535358 -0.0849933 0.0532556 -0.1929471 -0.0070822 -0.1309814 -0.0544301 0.0055494 0.0649729 0.1248727 -0.0230546 0.0988948 -0.1413941 0.0197756 -0.0508942 0.001768 0.0385422 0.011993 -0.0044998 -0.0197594 -0.0321071 0.1017065 0.0132217 0.1199347 0.0300628 0.0259061 -0.1349802 -0.0338318 0.0207251 0.1196485 0.0561792 -0.0031367 0.0177171 0.0160808 0.0775814 -0.0354974 -0.0132545 0.0302846 -0.1068467 0.0547799 -0.0193195 -0.0470563 -0.0483937 0.0641747 0.1555451 0.0193283 0.0361892 0.0831211 -0.1828482 0.0643656 0.0986078 0.0521997 0.1140301 -0.0197978 0.1011193 -0.083116 0.0828498 -0.1645293 -0.0281059 -0.1460468 -0.0588907 0.0228021 0.0086226 0.1063605 -0.0254012 0.1179606 -0.1543264 -0.0128979 0.0549796 0.0251301 -0.1608122 0.0283315 0.1130516 -0.1813501 0.21236 -0.2333608 -0.0370455 -0.1653336 -0.0419019 -0.2058715 0.1099383 0.1236448 -0.0718228 0.135089 -0.1049118 0.1466915 -0.383557 0.0934369 0.1536197 -0.1551689 -0.0502403 -0.0030329 -0.0939669 -0.1453027 -0.0341807 0.1480732 0.0153159 -0.2764052 0.0381808 0.0085064 0.0637082 -0.008745 -0.0834361 -0.0174095 0.1511246 -0.1508646 -0.2251853 -0.1402921 0.0171425 -0.0736527 -0.0086193 0.0000326 0.0525175 -0.1125702 0.0630912 -0.0099493 -0.0612283 0.0517321 0.0343051 0.0684766 0.0376009 -0.1611597 -0.0126655 -0.0181895 -0.2826538 -0.1579103 -0.1013129 -0.01884 -0.0259678 -0.1473993 0.0324857 0.0139376 0.0094846 0.0981057 -0.0003097 -0.1126485 -0.1040313 -0.114706 0.1115576 -0.0905054 -0.0896616 -0.0774412 0.0377122 0.0082925 -0.0841775 0.0969817 -0.0988098 0.1410982 0.0473096 0.0697735 0.0337812 0.0710588 0.0169066 -0.0071888 0.0272472 -0.0696697 -0.2126766 -0.0052153 0.0512757 -0.0092422 0.0873416 -0.124125 0.0215214 -0.0858683 0.0873943 0.0616213 0.0810652 -0.1253506 0.0796308 -0.0456438 -0.0858759 -0.064327 0.0352831 0.02952 0.031884 -0.1423856 0.2449501 -0.0438191 -0.2769826 -0.0306643 -0.1061218 0.1088667 -0.1074732 0.1378664 0.0289795 0.0645177 0.0105564 0.0573244 0.1249669 -0.0337611 0.0477026 -0.031144 0.1707785 -0.0291154 0.0393604 -0.0278405 -0.1473175 -0.0301559 -0.1125081 0.0579575 -0.0974436 0.1389903 0.0123231 0.0939667 0.0313443 0.0600381 0.0788345 -0.020064 -0.0238202 0.0274689 -0.1743339 0.1207211 -0.039652 0.0843742 0.0288096 0.0654678 0.0625358 0.0369759 0.0311873 -0.02541 -0.1535522 -0.004933 -0.1238567 -0.1052625 -0.2429806 -0.0564093 0.0509359 -0.0608617 0.0927097 0.0240303 0.0461603 0.0242417 0.0393673 -0.1901535 -0.0781188 0.1096121 -0.1244349 0.0200381 0.0449879 0.1340094 0.0533943 0.0596655 -0.0137252 0.0361405 -0.1501022 0.0092281 0.0382654 0.0265291 -0.1411364 0.0648883 -0.0689108 0.0992368 0.0380564 0.0445807 0.0366611 -0.0728212 -0.092521 0.0446221 -0.1426614 -0.0720223 0.1019829 -0.0056425 0.0153972 0.0173917 -0.20014 0.0390122 0.0044595 0.0919267 0.0322875 -0.0209322 0.0240071 -0.1596783 0.0401273 0.0691829 0.0156308 -0.1159948 -0.0178572 -0.1089215 -0.1962208 -0.0391981 0.1225384 -0.0304469 0.071385 -0.0084884 0.1492075 -0.0105657 0.0297681 0.0354897 -0.0096583 0.0592112 -0.0385653 0.1681023 -0.0486751 0.060827 -0.0557883 -0.0895097 0.1231229 -0.0335483 0.0404511 -0.0305152 0.1743904 -0.0215327 0.029497 -0.0350046 -0.1485225 0.0057201 -0.1219748 -0.1048299 -0.1166097 0.1201687 -0.0752618 -0.0923257 -0.0749789 0.0334377 -0.0158504 -0.0215407 0.0796848 -0.0346054 0.1910328 -0.0661493 0.0770027 -0.0545041 -0.0363142 456.941893|71.3044721|309.6109383|6.6804563|26.4993376|426.8160026 0.000040266 -0.000022638 0.000035553 0.000018557 -0.000038918 0.000096559 0.000026994 -0.000083186 -0.000037073 0.000025987 -0.000066174 0.000049823 -0.000002644 -0.000014024 0.000013735 0.000042741 0.000007241 -0.000029855 -0.000096785 0.000104404 -0.000116427 -0.000002246 0.000035561 0.000071801 0.000013397 0.000031245 0.000000769 0.000119672 0.000016758 -0.000073124 -0.000052136 0.000001869 -0.000006163 0.000027415 0.000009222 0.000058048 -0.000044485 -0.000030339 0.000057198 -0.000006343 -0.000007119 -0.000017392 -0.000004132 -0.000065953 -0.000008715 0.000009766 -0.000009362 -0.000016420 -0.000016536 -0.000019318 0.000024221 -0.000015706 -0.000007395 -0.000054637 -0.000050294 0.000007055 -0.000040100 -0.000019727 0.000023958 -0.000008299 -0.000063626 0.000002562 -0.000004393 0.000031192 0.000049705 -0.000000821 -0.000016525 0.000056216 -0.000004818 0.000020927 -0.000048022 -0.000017909 0.000012404 0.000007948 0.000032614 0.000017305 0.000015729 0.000008636 -0.000004656 -0.000004776 0.000007758 0.000020205 0.000009710 -0.000005298 0.000017274 0.000010813 -0.000002545 0.000023045 0.000011548 0.000022456 -0.000010310 -0.000000255 0.000024849 -0.000001865 -0.000007966 0.000007410 -0.000007683 0.000010665 0.000011815 -0.000018889 0.000026678 -0.000003987 -0.000009635 0.000000260 -0.000013282 -0.000004082 -0.000001143 -0.000005044 -0.000015072 -0.000001776 -0.000015366 -0.000004935 -0.000010165 0.000009257 0.000014354 -0.000036883 0.000008886 0.000003956 0.000005662 0.000015430 0.000002973 0.000012717 0.000009014 -0.000008404 0.000015114 0.000010694 -0.000006123 0.000013548 0.000003389 0.000009395 0.000026506 -0.000041317 0.000002957 -0.000004294 -0.000014278 -0.000006231 -0.000014255 -0.000004396 -0.000011707 -0.000018736 -0.000038257 266.23139999999984 AuxInfo=1/0/N:2;3;4;5;6;7;8;9;10;11;12;13;14;15;16;17;18;19;20;21;22;1;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/rA:47nN0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:-3.4111,-1.5005,-.1671;-3.4144,-.017,-.1499;-2.1584,.6303,-.7012;-1.2118,1.3229,.1226;-.0357,1.8775,-.4882;3.8492,-.9284,-.1942;-2.4198,-2.0775,.7627;-1.9262,.5473,-2.0607;-1.3465,1.4532,1.5332;-4.7504,-1.9661,.2158;.16,1.7464,-1.8869;-.7718,1.0962,-2.6592;.9329,2.5311,.3211;4.8565,-1.1002,.9631;3.9006,.5263,-.7141;4.2029,-1.9005,-1.3408;-1.0011,-1.9459,.2983;-.3868,2.0857,2.2893;.7664,2.6339,1.6805;2.4902,-1.2166,.2875;.0163,-1.5969,1.0991;1.3565,-1.4274,.6561;-3.6367,.345,.8623;-4.2526,.2967,-.7765;-2.527,-1.6577,1.7768;-2.6532,-3.1457,.8384;-2.6494,.0374,-2.6882;-2.2089,1.032,2.0314;-4.791,-3.0564,.174;-5.4943,-1.569,-.478;-5.0308,-1.6506,1.2351;1.0568,2.1649,-2.3312;-.6264,.999,-3.7294;1.8162,2.9382,-.1586;4.842,-2.1243,1.345;4.6241,-.4201,1.7868;5.8671,-.8787,.6075;4.9033,.7438,-1.0941;3.182,.6787,-1.5234;3.6716,1.2337,.0859;4.1709,-2.9378,-.9975;3.5048,-1.7901,-2.1747;5.2124,-1.6882,-1.7048;-.8119,-2.1602,-.7497;-.5129,2.1612,3.3637;1.5159,3.1276,2.289;-.183,-1.3597,2.1419; Gaussian 16 8-Dec-2022 Gaussian 16 3-Jul-2019 EM64L-G16RevC.01 135 C1[X(C21H25N)] RB3LYP 6-311+G(d,p) SP #P B3LYP 6-311+G(d,p) EmpiricalDispersion=gd3 scrf=(smd,Solvent=Water) geom=check guess=read output=wfx 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 266.23139999999984 AuxInfo=1/0/N:2;3;4;5;6;7;8;9;10;11;12;13;14;15;16;17;18;19;20;21;22;1;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/rA:47nN0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:-3.4111,-1.5005,-.1671;-3.4144,-.017,-.1499;-2.1584,.6303,-.7012;-1.2118,1.3229,.1226;-.0357,1.8775,-.4882;3.8492,-.9284,-.1942;-2.4198,-2.0775,.7627;-1.9262,.5473,-2.0607;-1.3465,1.4532,1.5332;-4.7504,-1.9661,.2158;.16,1.7464,-1.8869;-.7718,1.0962,-2.6592;.9329,2.5311,.3211;4.8565,-1.1002,.9631;3.9006,.5263,-.7141;4.2029,-1.9005,-1.3408;-1.0011,-1.9459,.2983;-.3868,2.0857,2.2893;.7664,2.6339,1.6805;2.4902,-1.2166,.2875;.0163,-1.5969,1.0991;1.3565,-1.4274,.6561;-3.6367,.3451,.8623;-4.2526,.2967,-.7765;-2.527,-1.6577,1.7768;-2.6532,-3.1457,.8384;-2.6494,.0374,-2.6882;-2.2089,1.032,2.0314;-4.791,-3.0564,.174;-5.4943,-1.569,-.478;-5.0308,-1.6506,1.2351;1.0568,2.1649,-2.3312;-.6264,.999,-3.7294;1.8162,2.9382,-.1586;4.842,-2.1243,1.345;4.6241,-.4201,1.7868;5.8671,-.8787,.6075;4.9033,.7438,-1.0941;3.182,.6787,-1.5234;3.6716,1.2337,.0859;4.1709,-2.9378,-.9975;3.5048,-1.7901,-2.1747;5.2124,-1.6882,-1.7048;-.8119,-2.1602,-.7497;-.5129,2.1612,3.3637;1.5159,3.1276,2.289;-.183,-1.3597,2.1419; oldchk=/home/apulgar/almacen/pesticidas/G2-G4/terbinafine/gaussian/water/CONF22 #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 terbinafine CONF22 water Redundant internal coordinates found in file. (old form). 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 14 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 14.0030740 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 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 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4.5500000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 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 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 656 A 634 A 634 992 656 79 79 1759.9280455890 47 47 47 1.00e+00 60 F IExCor= 402 DFT=T Ex+Corr=B3LYP ExCW=0 ScaHFX= 0.200000 ScaDFX= 0.800000 0.720000 1.000000 0.810000 ScalE2= 1.000000 1.000000 IRadAn= 5 IRanWt= -1 IRanGd= 0 ICorTp=0 IEmpDi=131 Grimme-D3 -0.0518900412 PCM SMD-Coulomb. Total charges None On-the-fly selection Water 78.355300 1.777849 0.000000 1.483581 0.000000 2.528819 1.516800 0.000000 3.590604 2.592536 1.433283 0.000000 4.786139 3.888371 2.471144 1.436584 0.000000 7.282839 7.320739 6.227222 5.548241 4.801336 0.000000 1.476551 2.463282 3.089332 3.664987 4.784467 6.444900 0.000000 3.159704 2.486866 1.381660 2.424563 2.795722 6.246324 3.886483 0.000000 3.984763 3.044810 2.515730 1.423009 2.446223 5.970876 3.769883 3.751356 0.000000 1.468760 2.391114 3.781658 4.831985 6.123505 8.671704 2.396514 4.413118 5.001429 0.000000 5.123725 4.347824 2.833102 2.469667 1.418438 4.861119 5.319628 2.412511 3.748671 6.505089 0.000000 4.463126 3.810511 2.444119 2.825507 2.421901 5.615068 4.949598 1.411495 4.246665 5.785612 1.373808 0.000000 5.946616 5.061042 3.770172 2.469600 1.421414 4.553944 5.716195 4.216979 2.797569 7.248165 2.467521 3.721199 0.000000 8.354076 8.415485 7.414419 6.588051 5.908233 1.543883 7.344390 7.606725 6.732138 9.674771 6.187338 7.044365 5.384463 0.000000 7.607074 7.356850 6.059906 5.241312 4.167933 1.545691 6.993451 5.980390 5.782830 9.050785 4.105654 5.093068 3.727976 2.524329 0.000000 7.714250 7.936577 6.876060 6.469227 5.741652 1.544241 6.950971 6.638916 7.092437 9.087830 5.472046 5.955312 5.752691 2.525052 2.524595 0.000000 2.494541 3.121747 2.995850 3.280302 4.021078 4.980322 1.498565 3.554713 3.632962 3.750239 4.444794 4.248964 4.876900 5.955606 5.582426 5.456209 0.000000 5.295374 4.420102 3.768230 2.440717 2.807322 5.761706 4.878113 4.864005 1.375709 6.305340 4.225518 5.061146 2.411183 6.277059 5.462085 7.080490 4.538229 0.000000 6.161060 5.278003 4.270997 2.838884 2.432865 5.070357 5.761255 5.059703 2.424865 7.330823 3.725861 4.854263 1.373390 5.584514 4.472046 6.441940 5.099950 1.414630 0.000000 5.925549 6.041092 5.098830 4.492348 4.068870 1.470381 5.007502 5.303710 4.837326 7.279642 4.351700 4.967149 4.058462 2.463640 2.455622 2.460148 3.566694 4.815598 4.442786 0.000000 3.655026 3.978141 3.595953 3.314702 3.820213 4.100117 2.505703 4.284229 3.368825 4.861861 4.484942 4.690297 4.299498 4.867562 4.783686 4.855186 1.340973 3.891147 4.335986 2.631278 0.000000 4.838631 5.039839 4.293093 3.800622 3.764311 2.680647 3.833298 4.696357 4.046338 6.146372 4.239272 4.678604 3.995080 3.528696 3.488115 3.509088 2.440317 4.248311 4.229829 1.210653 1.421637 0.000000 2.125246 1.097691 2.170516 2.717232 4.139928 7.666579 2.712852 3.392682 2.631209 2.645709 4.892499 4.601417 5.094381 8.615850 7.702481 8.447166 3.537313 3.953179 5.029476 6.348822 4.143824 5.302377 0.000000 2.076000 1.092602 2.121980 3.332876 4.512678 8.214639 3.371330 2.669112 3.888210 2.520525 4.775534 4.037352 5.752140 9.378402 8.156709 8.754552 4.093521 5.248242 6.057258 6.992005 5.032646 6.040448 1.751423 0.000000 2.141266 2.681651 3.392847 3.653814 4.882065 6.713643 1.102736 4.466415 3.336330 2.734079 5.677210 5.508468 5.624583 7.449115 7.231083 7.420894 2.144158 4.342389 5.410556 5.252138 2.632732 4.048489 2.465497 3.649261 0.000000 2.071695 3.368140 4.107717 4.749556 5.817520 6.947233 1.095950 4.750871 4.831173 2.485388 6.266877 5.810917 6.734473 7.784319 7.671115 7.301048 2.112014 5.882935 6.768056 5.520820 3.097211 4.366148 3.626674 4.125085 1.763650 0.000000 3.049757 2.651676 2.130902 3.408737 3.880348 7.027386 4.053929 1.084774 4.639199 4.106281 3.384546 2.155765 5.301617 8.424021 6.858424 7.247347 3.945728 5.838654 6.123312 6.069760 4.911196 5.419997 3.698006 2.508423 4.777462 4.750630 0.000000 3.562609 2.704011 2.762463 2.173189 3.433138 6.745214 3.364957 4.130409 1.081493 4.329425 4.634216 4.906336 3.878644 7.457060 6.717152 7.815547 3.651064 2.120600 3.397391 5.493559 3.568165 4.544416 1.969057 3.549930 2.720347 4.367278 4.843350 0.000000 2.107483 3.352273 4.613980 5.656154 6.884413 8.906049 2.632034 5.117362 5.835203 1.091872 7.199088 6.436290 8.000328 9.875459 9.442927 9.193526 3.951209 7.093171 8.095361 7.510925 5.108434 6.377919 3.657364 3.526621 3.106629 2.240461 4.727599 5.179977 0.000000 2.107384 2.615734 4.001874 5.202257 6.455569 9.369717 3.354162 4.440117 5.512108 1.091972 6.704297 5.844931 7.665385 10.461133 9.628581 9.741093 4.575249 6.863008 7.843478 8.028809 5.731845 6.945411 2.985086 2.260940 3.727807 3.505750 3.944471 4.884243 1.769740 0.000000 2.147634 2.683134 4.147595 4.966314 6.353595 9.023292 2.687555 5.033009 4.826715 1.103216 6.944847 6.391408 7.340833 9.906394 9.397265 9.589532 4.147702 6.052929 7.222431 7.592906 5.049231 6.417364 2.462753 2.905883 2.561769 2.836503 4.890038 3.974070 1.777605 1.776530 0.000000 6.170932 5.432405 3.917820 3.446223 2.161670 4.683287 6.297420 3.404145 4.606026 7.568109 1.084803 2.143225 2.680321 5.995931 3.658867 5.235134 5.296018 4.841397 4.049425 4.510738 5.196240 4.681704 5.961443 5.839276 6.658201 7.211990 4.288299 5.566078 8.230145 7.764859 8.020939 0.000000 5.166438 4.649599 3.413648 3.909625 3.409665 6.020252 5.732442 2.162930 5.330989 6.431525 2.138099 1.084338 4.602718 7.515868 5.459744 6.118369 5.003495 6.120670 5.820603 5.545917 5.519610 5.389963 5.529292 4.728895 6.402240 6.492412 2.470110 5.974345 7.001959 6.392410 7.146025 2.479363 0.000000 6.857580 6.007732 4.627955 3.443391 2.159462 4.368680 6.629478 4.831125 3.881954 8.204423 2.674047 4.042720 1.084455 5.177863 3.235836 5.523327 5.656881 3.401799 2.139363 4.232685 5.038728 4.464667 6.123745 6.647537 6.612980 7.614651 5.895305 4.963038 8.927560 8.594171 8.359477 2.427905 4.740968 0.000000 8.413627 8.651262 7.796225 7.072967 6.570259 2.187487 7.285271 8.033969 7.150647 9.659954 6.881106 7.610557 6.164584 1.093159 3.485992 2.769876 5.938847 6.779191 6.274078 2.733765 4.860706 3.620704 8.844150 9.647563 7.396402 7.581442 8.778408 7.755597 9.748622 10.510498 9.884831 6.800020 8.087542 6.086535 0.000000 8.339558 8.278314 7.300375 6.313905 5.671758 2.187055 7.308316 7.657979 6.262667 9.630085 6.174007 7.154135 4.947965 1.093117 2.770154 3.485806 6.015511 5.625046 4.921383 2.726847 4.805144 3.601406 8.347445 9.267171 7.257371 7.828572 8.552046 6.989866 9.909335 10.432151 9.748608 6.030421 7.746580 4.790343 1.773962 0.000000 9.331149 9.352117 8.270301 7.429172 6.606089 2.171855 8.374561 8.359855 7.637373 10.680190 6.759002 7.658064 6.004494 1.093939 2.754567 2.758563 6.957482 7.122314 6.285381 3.408788 5.915163 4.544109 9.585570 10.281320 8.510842 8.819725 9.177703 8.420194 10.886931 11.433925 10.943207 6.406112 8.031141 5.618283 1.773773 1.773694 0.000000 8.661677 8.405638 7.073510 6.261774 5.103553 2.171919 8.064441 6.900332 6.816508 10.112034 4.912502 5.897470 4.578264 2.763056 1.094098 2.746657 6.635899 6.421295 5.327663 3.402190 5.845663 4.511889 8.770230 9.172328 8.319755 8.715686 7.751306 7.774014 10.489491 10.669480 10.480682 4.283163 6.130834 3.901334 3.765534 3.119645 2.541022 0.000000 7.075101 6.773755 5.403558 4.736029 3.586487 2.189654 6.648557 5.138065 5.518122 8.540671 3.225671 4.134847 3.448470 3.485807 1.092929 2.779874 5.263589 5.408611 4.463509 2.711059 4.698674 3.538114 7.231681 7.481835 6.995911 7.365695 5.981057 6.467149 8.966680 9.023463 8.971369 2.716272 4.412812 2.972138 4.340523 3.774155 3.765039 1.775192 0.000000 7.596302 7.199408 5.913737 4.884341 3.806363 2.187433 6.966142 6.034407 5.227179 9.010297 4.060346 5.224769 3.039514 2.760514 1.092216 3.484425 5.655885 4.695905 3.597656 2.727679 4.732875 3.572972 7.402895 8.025895 7.045688 7.729682 7.005797 6.197270 9.488337 9.601354 9.239674 3.680597 5.751874 2.531327 3.772487 2.556449 3.091007 1.774656 1.771335 0.000000 7.761531 8.172304 7.271832 6.955715 6.414276 2.187775 6.875717 7.102858 7.491783 9.055703 6.230620 6.592792 6.490904 2.773262 3.486200 1.093134 5.423333 7.537363 7.057353 2.727351 4.842964 3.596785 8.671439 9.025918 7.361855 7.069789 7.630613 8.101576 9.038924 9.775411 9.555784 6.124925 6.780576 6.385620 2.568916 3.781031 3.113375 3.755065 3.785971 4.338753 0.000000 7.207172 7.424252 6.332587 6.100403 5.369497 2.187113 6.619053 5.913704 6.913938 8.596152 4.876231 5.182153 5.613939 3.485563 2.766924 1.093112 5.142281 7.077738 6.475603 2.724090 4.787976 3.572184 8.048771 8.154001 7.212099 6.988367 6.440268 7.635608 8.714373 9.160278 9.192553 4.654003 5.221405 5.410471 3.779982 4.338568 3.761897 3.089440 2.573595 3.779138 1.773930 0.000000 8.761492 8.923712 7.791744 7.326412 6.460438 2.171935 8.030610 7.488858 7.960624 10.150046 6.111972 6.668868 6.341923 2.755041 2.757919 1.093949 6.533492 7.845160 7.064506 3.406162 5.905063 4.528825 9.435558 9.715371 8.486506 8.394048 8.108740 8.742694 10.269876 10.777374 10.656836 5.701549 6.738776 5.943751 3.103041 3.761035 2.535895 2.526502 3.123649 3.757411 1.773922 1.774007 0.000000 2.744154 3.424367 3.098808 3.612892 4.119968 4.853001 2.209006 3.207906 4.307477 4.059794 4.183223 3.775205 5.118492 6.015652 5.424571 5.056142 1.086255 5.238709 5.601832 3.587449 2.102642 2.686087 4.105391 4.228027 3.094720 2.623684 3.458817 4.458295 4.182105 4.727378 4.690279 4.969892 4.346704 5.766268 6.029563 6.245880 6.934878 6.419896 4.960745 5.684913 5.049159 4.560832 6.117751 0.000000 5.854442 5.050628 4.644871 3.419985 3.891725 6.421313 5.326200 5.833202 2.132346 6.700785 5.309834 6.121875 3.388908 6.725354 6.227426 7.801869 5.148194 1.084442 2.166433 5.467332 4.419544 4.868641 4.394712 5.882475 4.599922 6.254692 6.760228 2.434482 7.463284 7.313516 6.282718 5.907286 7.188581 4.293628 7.149595 5.961440 7.585628 7.156529 6.303521 5.395760 8.182812 7.901232 8.560786 5.973646 0.000000 7.192072 6.335929 5.355120 3.923024 3.417990 5.297344 6.701612 6.117586 3.401078 8.337225 4.602625 5.817586 2.137295 5.549005 4.633787 6.758467 6.003162 2.169253 1.084229 4.881285 5.097570 4.841365 6.027122 7.119427 6.285368 7.670622 7.188198 4.281580 9.082481 8.880076 8.173144 4.741646 6.733509 2.473192 6.287833 4.743348 6.148991 5.348037 4.827747 3.617620 7.391802 6.932812 7.266756 6.527803 2.490944 0.000000 3.971361 4.182925 3.993185 3.511765 4.173577 4.680001 2.724072 4.933216 3.104299 4.993852 5.098719 5.424848 4.438295 5.182062 5.328193 5.626531 2.100473 3.454585 4.130764 3.256601 1.087880 2.140589 4.058470 5.274734 2.390905 3.315220 5.600384 3.136305 5.290121 5.925968 4.940476 5.828256 6.342885 5.268870 5.144974 4.910886 6.260121 6.384875 5.377051 5.080409 5.594875 5.693709 6.634425 3.065561 3.741459 4.800322 0.000000 C21H25N C1 1 C1 1 C1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 266.23139999999984 AuxInfo=1/0/N:2;3;4;5;6;7;8;9;10;11;12;13;14;15;16;17;18;19;20;21;22;1;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/rA:47nN0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:3.4583,-1.4033,.2068;3.4349,.08,.1947;2.1594,.7024,.7299;1.2124,1.3807,-.1052;.0176,1.9115,.4903;-3.8108,-.9636,.1302;2.4914,-1.9948,-.7394;1.9091,.6101,2.0855;1.365,1.5187,-1.5132;4.8114,-1.843,-.1583;-.1959,1.7717,1.8856;.7363,1.1357,2.6691;-.951,2.5503,-.3307;-4.7979,-1.1493,-1.0423;-3.8962,.4881,.6543;-4.1632,-1.9462,1.2681;1.0639,-1.8907,-.2952;.4051,2.1364,-2.281;-.7667,2.6613,-1.6872;-2.4399,-1.2251,-.3327;.052,-1.5574,-1.1095;-1.2973,-1.4139,-.6855;3.6651,.4499,-.8129;4.2581,.4067,.8345;2.6056,-1.5693,-1.7503;2.7453,-3.0582,-.8154;2.6323,.1111,2.7218;2.2422,1.115,-2.0003;4.8713,-2.9326,-.1196;5.5377,-1.435,.5477;5.1007,-1.5186,-1.1722;-1.1065,2.1722,2.3182;.5772,1.0319,3.7367;-1.8484,2.9395,.1375;-4.7592,-2.1716,-1.4275;-4.566,-.4621,-1.8602;-5.8174,-.9476,-.7007;-4.9081,.6859,1.0203;-3.1924,.6505,1.4744;-3.6686,1.2025,-.1399;-4.1073,-2.9815,.9217;-3.4794,-1.8262,2.1125;-5.1816,-1.7536,1.6181;.8635,-2.1123,.7492;.5453,2.2182,-3.3532;-1.5161,3.1434,-2.3048;.2621,-1.3127,-2.1485; 0.4118085 0.1970815 0.1760431 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= 634 RedAO= T EigKep= 1.01D-06 NBF= 634 NBsUse= 629 1.00D-06 EigRej= 5.58D-07 NBFU= 629 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= 655 655 655 655 655 MxSgAt= 47 MxSgA2= 47. 1 Closed 1 1 1 -870.250811850447 -870.250811850 1 8.661226430145e+02 -5.539035083149e+03 2.042777014397e+03 Using DIIS extrapolation, IDIIS= 1040. NGot= 4246732800 LenX= 4245848878 LenY= 4245417886 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. PT1166.100S Thu Dec 8 23:46:31 2022 -14.31046 -10.20268 -10.19203 -10.19091 -10.18678 -10.18497 -10.18377 -10.18305 -10.17813 -10.17630 -10.17410 -10.17395 -10.17375 -10.17310 -10.17302 -10.17271 -10.17139 -10.16634 -10.16409 -10.15504 -10.15503 -10.15404 -0.92246 -0.87680 -0.83066 -0.82521 -0.80507 -0.78441 -0.74401 -0.74253 -0.73277 -0.69273 -0.68664 -0.68372 -0.68324 -0.62697 -0.61699 -0.61485 -0.59487 -0.57473 -0.56149 -0.51682 -0.51088 -0.50052 -0.49429 -0.47354 -0.46977 -0.46408 -0.45212 -0.44399 -0.43785 -0.43748 -0.42828 -0.42365 -0.41632 -0.40142 -0.39872 -0.39067 -0.38874 -0.38727 -0.38090 -0.37199 -0.36815 -0.36405 -0.36234 -0.36001 -0.35158 -0.34181 -0.33826 -0.33676 -0.33125 -0.32492 -0.31821 -0.28881 -0.26596 -0.25131 -0.23111 -0.22526 -0.21864 -0.05298 -0.02381 -0.02166 0.00441 0.00967 0.01423 0.01593 0.02192 0.02824 0.03226 0.03413 0.03685 0.04201 0.04472 0.04973 0.05166 0.05405 0.05705 0.05767 0.06375 0.06579 0.07083 0.07353 0.07654 0.07988 0.08133 0.08298 0.08543 0.09191 0.09569 0.09709 0.10256 0.10283 0.10809 0.11378 0.11550 0.11747 0.12053 0.12443 0.12852 0.13087 0.13151 0.13546 0.14074 0.14351 0.14708 0.14978 0.15541 0.15661 0.16068 0.16261 0.16679 0.17105 0.17231 0.17541 0.17833 0.18029 0.18252 0.18799 0.19007 0.19492 0.19671 0.19706 0.20178 0.20441 0.20615 0.21018 0.21257 0.21518 0.21629 0.21772 0.21962 0.22190 0.22300 0.22419 0.22557 0.22918 0.23229 0.23801 0.24119 0.24350 0.24452 0.24570 0.24692 0.24940 0.25010 0.25327 0.25677 0.25895 0.25987 0.26372 0.26615 0.26977 0.27138 0.27228 0.27487 0.27985 0.28394 0.28520 0.28658 0.28796 0.29212 0.29320 0.29632 0.29779 0.30180 0.30366 0.30749 0.30928 0.31381 0.31806 0.32150 0.32247 0.32679 0.33093 0.33309 0.33692 0.34033 0.34648 0.34805 0.35604 0.35860 0.36508 0.36814 0.37213 0.38181 0.38515 0.38917 0.40546 0.40618 0.41305 0.42586 0.44261 0.44701 0.45672 0.46729 0.47413 0.47903 0.48389 0.48803 0.50105 0.50666 0.50893 0.51305 0.52221 0.52912 0.53917 0.54589 0.54748 0.55440 0.56014 0.56256 0.56675 0.57638 0.57819 0.58391 0.58672 0.58954 0.59800 0.60058 0.60441 0.60923 0.61385 0.62042 0.63079 0.63620 0.63960 0.64955 0.65110 0.65920 0.66409 0.66590 0.67126 0.67864 0.67939 0.68694 0.69233 0.69317 0.69727 0.70364 0.70471 0.70737 0.71068 0.71411 0.71871 0.72139 0.72583 0.72623 0.72810 0.73017 0.73786 0.74116 0.74409 0.74835 0.75500 0.76242 0.76373 0.76910 0.77565 0.77703 0.77823 0.78334 0.78610 0.78876 0.79582 0.80056 0.80292 0.81314 0.82561 0.83056 0.83237 0.83617 0.84730 0.85481 0.85799 0.86032 0.86667 0.87095 0.87743 0.89109 0.89434 0.90014 0.90812 0.91676 0.92992 0.93174 0.93913 0.95129 0.96888 0.97397 0.98307 0.99347 0.99460 0.99871 1.00346 1.01026 1.02134 1.02722 1.04227 1.05042 1.06356 1.06576 1.07459 1.08083 1.09081 1.09886 1.10749 1.11438 1.12099 1.12596 1.13732 1.14902 1.15492 1.16484 1.17257 1.18078 1.18969 1.19843 1.20099 1.20880 1.24140 1.25778 1.26673 1.28074 1.29254 1.29613 1.31160 1.32803 1.34605 1.36071 1.38110 1.38572 1.42085 1.43345 1.44588 1.45460 1.45681 1.46424 1.46845 1.47600 1.48156 1.48771 1.49659 1.49922 1.50429 1.50935 1.51606 1.51990 1.53070 1.54105 1.54545 1.55424 1.55517 1.56229 1.56617 1.57204 1.58092 1.58832 1.59335 1.59948 1.60846 1.61086 1.61582 1.62527 1.63029 1.63583 1.64153 1.64799 1.65589 1.66256 1.66542 1.66884 1.67442 1.68384 1.69057 1.69655 1.70361 1.71144 1.72693 1.74049 1.74634 1.74884 1.75270 1.75734 1.76173 1.76898 1.77193 1.77933 1.78305 1.78694 1.79772 1.80823 1.81640 1.82833 1.83662 1.84042 1.84649 1.86131 1.86816 1.87474 1.89789 1.90342 1.91633 1.92256 1.93047 1.94010 1.94126 1.94876 1.95239 1.96204 1.96416 1.97568 1.97741 1.98503 1.99226 1.99895 2.00007 2.00686 2.01273 2.02366 2.03117 2.04289 2.06193 2.07063 2.09060 2.10652 2.11844 2.12301 2.12516 2.12687 2.14072 2.15458 2.16456 2.17544 2.18477 2.19706 2.20709 2.21419 2.21576 2.22466 2.23741 2.25241 2.25414 2.27997 2.28453 2.30923 2.31767 2.33775 2.36795 2.37907 2.39969 2.41513 2.41890 2.43096 2.43702 2.43922 2.44914 2.45443 2.46302 2.48134 2.49254 2.50168 2.50583 2.50617 2.52773 2.52938 2.53909 2.54488 2.55071 2.55604 2.55962 2.56180 2.57138 2.57643 2.58766 2.59170 2.61963 2.62518 2.63314 2.64908 2.65206 2.65616 2.66455 2.67549 2.68757 2.70295 2.71599 2.72427 2.73034 2.73647 2.74186 2.74989 2.75622 2.75926 2.76943 2.77331 2.77367 2.77923 2.78620 2.79126 2.80595 2.80964 2.83478 2.83673 2.83960 2.86103 2.86181 2.86913 2.87680 2.88454 2.90676 2.91090 2.91936 2.92555 2.93315 2.93414 2.94414 2.95079 2.95955 2.96885 2.97950 2.99039 3.00470 3.01974 3.03947 3.05150 3.06076 3.07534 3.09499 3.10609 3.11192 3.13588 3.14047 3.15043 3.16567 3.20455 3.20888 3.22204 3.23024 3.25029 3.28178 3.28941 3.33482 3.37292 3.40268 3.42887 3.43119 3.49918 3.51759 3.54881 3.56166 3.56834 3.58672 3.60890 3.64227 3.65172 3.68703 3.71896 3.73193 3.77690 3.78444 3.80208 3.81403 3.82027 3.83018 3.83594 3.83867 3.84282 3.85196 3.87293 3.87639 4.01061 4.04547 4.05487 4.07358 4.13903 4.20568 4.22318 4.29019 4.29582 4.29916 4.35183 4.40651 4.46097 4.83078 4.84198 4.85452 4.87229 23.53757 23.60335 23.80685 23.83983 23.85474 23.87951 23.94947 23.95314 23.96757 23.97382 23.97973 23.98517 24.00216 24.01241 24.02537 24.11863 24.13586 24.19388 24.20283 24.24105 25.13491 35.54251 1-A. Mulliken charges: 1 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 N C C C C C C C C C C C C C C C C C C C C C H H H H H H H H H H H H H H H H H H H H H H H H H 0.009305 -0.806404 0.745463 0.855923 0.439925 0.415010 -0.628715 -0.340012 -0.676248 -0.273401 -0.254708 -0.425021 -0.192576 -0.643186 -0.415692 -0.650821 -0.216936 -0.550491 -0.383466 0.133519 -0.130929 0.019036 0.154328 0.182649 0.156956 0.186054 0.155830 0.156639 0.149343 0.150625 0.136272 0.157101 0.163008 0.156692 0.159586 0.155818 0.158396 0.156531 0.152047 0.152571 0.159986 0.153683 0.157608 0.164270 0.161297 0.162153 0.170982 -0.00000 0.5588 0.4295 -0.7489 1.0284 -112.0777 -139.5819 -125.7477 -8.4920 -7.0056 -0.4441 13.7248 -13.7795 0.0547 -8.4920 -7.0056 -0.4441 6.0224 -23.2787 1.1207 -7.8495 -11.9333 0.4315 6.9766 12.2806 -7.6541 8.1120 -5673.7850 -2397.2734 -1360.1493 -57.0743 -50.8676 -119.7972 -11.3229 -7.8894 -29.9060 -1383.0431 -1273.4023 -635.4344 10.1567 -17.1898 -25.6223 (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A) (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(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-CIBELES2-317 APULGAR 2022-12-08T00:00:00.000 0 Wavefunction terbinafine CONF22 water 0 1 Version=EM64L-G16RevC.01 State=1-A HF=-870.2508119 RMSD=2.647e-09 Dipole=-0.2185787,0.1639087,0.298419 Quadrupole=9.8135855,-10.0089368,0.1953512,6.7026865,-5.3328081,0.102866 PG=C01 [X(C21H25N1)] 0 -3.4110690204 -1.5005126203 -0.1671167074 0 -3.4144352418 -0.0170363296 -0.1498529225 0 -2.1584067268 0.6303364866 -0.7011993862 0 -1.2118149389 1.3229255112 0.1225624166 0 -0.0357488979 1.8775395547 -0.4882127209 0 3.8492152387 -0.9284290789 -0.1942304657 0 -2.4197968326 -2.0775272455 0.7627417158 0 -1.9261925241 0.5472509208 -2.0606685775 0 -1.3464583742 1.4532499172 1.5331794939 0 -4.7504082814 -1.9661077046 0.2158289716 0 0.1599727397 1.7463943048 -1.8869475163 0 -0.7717764313 1.0962023807 -2.6592447384 0 0.9329249639 2.5310624568 0.3211058525 0 4.8565109757 -1.1001549971 0.9631118347 0 3.900592306 0.5263005071 -0.7141177773 0 4.2028715538 -1.9005213575 -1.3408100828 0 -1.001129524 -1.9458855485 0.2982537049 0 -0.3868486592 2.0857414702 2.2892748619 0 0.7664245573 2.633927604 1.6804798171 0 2.4901910586 -1.2165911425 0.2874693909 0 0.0162734913 -1.5969140546 1.0990778608 0 1.3564550843 -1.4273532642 0.6561178465 0 -3.6366683369 0.345049825 0.8622889408 0 -4.2526466442 0.29674644 -0.7765273289 0 -2.5270108926 -1.6577063092 1.7767842593 0 -2.6532160386 -3.1456540641 0.8384114558 0 -2.649369933 0.0373680485 -2.6881791631 0 -2.2089349293 1.0319526119 2.0314460519 0 -4.79102702 -3.0564207727 0.1739830736 0 -5.4942700354 -1.5690250801 -0.4779998048 0 -5.0308407629 -1.6505608372 1.2350800235 0 1.0567823736 2.1649274689 -2.3311997842 0 -0.6263769877 0.9990451122 -3.7293890706 0 1.816178603 2.9382048668 -0.1586249979 0 4.8420179936 -2.124334141 1.3450068719 0 4.624057249 -0.4201474453 1.7867991172 0 5.867055009 -0.8786694827 0.6075178978 0 4.9032734733 0.7438451667 -1.0940593194 0 3.1820145765 0.6786673791 -1.5233917613 0 3.6715740615 1.2337044321 0.0859229072 0 4.1708828036 -2.9378374508 -0.9974537418 0 3.5047843798 -1.7901377068 -2.1747070268 0 5.2123873137 -1.6881567392 -1.7048196016 0 -0.8118791627 -2.1602056279 -0.7496972379 0 -0.5129194458 2.1612426165 3.3637143712 0 1.5158512313 3.1275631233 2.2889507041 0 -0.1830200433 -1.3596743067 2.1419023303 Gaussian 16 8-Dec-2022 Gaussian 16 3-Jul-2019 EM64L-G16RevC.01 135 C1[X(C21H25N)] RB3LYP TD-FC 6-311+G(d,p) SP #P B3LYP 6-311+G(d,p) EmpiricalDispersion=gd3 scrf=(smd,Solvent=Water) geom=check guess=read td=(singlets,nstates=10) 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 266.23139999999984 AuxInfo=1/0/N:2;3;4;5;6;7;8;9;10;11;12;13;14;15;16;17;18;19;20;21;22;1;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/rA:47nN0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:-3.4111,-1.5005,-.1671;-3.4144,-.017,-.1499;-2.1584,.6303,-.7012;-1.2118,1.3229,.1226;-.0357,1.8775,-.4882;3.8492,-.9284,-.1942;-2.4198,-2.0775,.7627;-1.9262,.5473,-2.0607;-1.3465,1.4532,1.5332;-4.7504,-1.9661,.2158;.16,1.7464,-1.8869;-.7718,1.0962,-2.6592;.9329,2.5311,.3211;4.8565,-1.1002,.9631;3.9006,.5263,-.7141;4.2029,-1.9005,-1.3408;-1.0011,-1.9459,.2983;-.3868,2.0857,2.2893;.7664,2.6339,1.6805;2.4902,-1.2166,.2875;.0163,-1.5969,1.0991;1.3565,-1.4274,.6561;-3.6367,.3451,.8623;-4.2526,.2967,-.7765;-2.527,-1.6577,1.7768;-2.6532,-3.1457,.8384;-2.6494,.0374,-2.6882;-2.2089,1.032,2.0314;-4.791,-3.0564,.174;-5.4943,-1.569,-.478;-5.0308,-1.6506,1.2351;1.0568,2.1649,-2.3312;-.6264,.999,-3.7294;1.8162,2.9382,-.1586;4.842,-2.1243,1.345;4.6241,-.4201,1.7868;5.8671,-.8787,.6075;4.9033,.7438,-1.0941;3.182,.6787,-1.5234;3.6716,1.2337,.0859;4.1709,-2.9378,-.9975;3.5048,-1.7901,-2.1747;5.2124,-1.6882,-1.7048;-.8119,-2.1602,-.7497;-.5129,2.1612,3.3637;1.5159,3.1276,2.289;-.183,-1.3597,2.1419; oldchk=/home/apulgar/almacen/pesticidas/G2-G4/terbinafine/gaussian/water/CONF22 #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 terbinafine CONF22 water Redundant internal coordinates found in file. (old form). 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 14 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 14.0030740 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 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 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4.5500000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 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 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 656 A 634 A 634 992 656 79 79 1759.9280455890 47 47 47 1.00e+00 60 F IExCor= 402 DFT=T Ex+Corr=B3LYP ExCW=0 ScaHFX= 0.200000 ScaDFX= 0.800000 0.720000 1.000000 0.810000 ScalE2= 1.000000 1.000000 IRadAn= 5 IRanWt= -1 IRanGd= 0 ICorTp=0 IEmpDi=131 Grimme-D3 -0.0518900412 PCM SMD-Coulomb. Total charges None On-the-fly selection Water 78.355300 1.777849 0.000000 1.483581 0.000000 2.528819 1.516800 0.000000 3.590604 2.592536 1.433283 0.000000 4.786139 3.888371 2.471144 1.436584 0.000000 7.282839 7.320739 6.227222 5.548241 4.801336 0.000000 1.476551 2.463282 3.089332 3.664987 4.784467 6.444900 0.000000 3.159704 2.486866 1.381660 2.424563 2.795722 6.246324 3.886483 0.000000 3.984763 3.044810 2.515730 1.423009 2.446223 5.970876 3.769883 3.751356 0.000000 1.468760 2.391114 3.781658 4.831985 6.123505 8.671704 2.396514 4.413118 5.001429 0.000000 5.123725 4.347824 2.833102 2.469667 1.418438 4.861119 5.319628 2.412511 3.748671 6.505089 0.000000 4.463126 3.810511 2.444119 2.825507 2.421901 5.615068 4.949598 1.411495 4.246665 5.785612 1.373808 0.000000 5.946616 5.061042 3.770172 2.469600 1.421414 4.553944 5.716195 4.216979 2.797569 7.248165 2.467521 3.721199 0.000000 8.354076 8.415485 7.414419 6.588051 5.908233 1.543883 7.344390 7.606725 6.732138 9.674771 6.187338 7.044365 5.384463 0.000000 7.607074 7.356850 6.059906 5.241312 4.167933 1.545691 6.993451 5.980390 5.782830 9.050785 4.105654 5.093068 3.727976 2.524329 0.000000 7.714250 7.936577 6.876060 6.469227 5.741652 1.544241 6.950971 6.638916 7.092437 9.087830 5.472046 5.955312 5.752691 2.525052 2.524595 0.000000 2.494541 3.121747 2.995850 3.280302 4.021078 4.980322 1.498565 3.554713 3.632962 3.750239 4.444794 4.248964 4.876900 5.955606 5.582426 5.456209 0.000000 5.295374 4.420102 3.768230 2.440717 2.807322 5.761706 4.878113 4.864005 1.375709 6.305340 4.225518 5.061146 2.411183 6.277059 5.462085 7.080490 4.538229 0.000000 6.161060 5.278003 4.270997 2.838884 2.432865 5.070357 5.761255 5.059703 2.424865 7.330823 3.725861 4.854263 1.373390 5.584514 4.472046 6.441940 5.099950 1.414630 0.000000 5.925549 6.041092 5.098830 4.492348 4.068870 1.470381 5.007502 5.303710 4.837326 7.279642 4.351700 4.967149 4.058462 2.463640 2.455622 2.460148 3.566694 4.815598 4.442786 0.000000 3.655026 3.978141 3.595953 3.314702 3.820213 4.100117 2.505703 4.284229 3.368825 4.861861 4.484942 4.690297 4.299498 4.867562 4.783686 4.855186 1.340973 3.891147 4.335986 2.631278 0.000000 4.838631 5.039839 4.293093 3.800622 3.764311 2.680647 3.833298 4.696357 4.046338 6.146372 4.239272 4.678604 3.995080 3.528696 3.488115 3.509088 2.440317 4.248311 4.229829 1.210653 1.421637 0.000000 2.125246 1.097691 2.170516 2.717232 4.139928 7.666579 2.712852 3.392682 2.631209 2.645709 4.892499 4.601417 5.094381 8.615850 7.702481 8.447166 3.537313 3.953179 5.029476 6.348822 4.143824 5.302377 0.000000 2.076000 1.092602 2.121980 3.332876 4.512678 8.214639 3.371330 2.669112 3.888210 2.520525 4.775534 4.037352 5.752140 9.378402 8.156709 8.754552 4.093521 5.248242 6.057258 6.992005 5.032646 6.040448 1.751423 0.000000 2.141266 2.681651 3.392847 3.653814 4.882065 6.713643 1.102736 4.466415 3.336330 2.734079 5.677210 5.508468 5.624583 7.449115 7.231083 7.420894 2.144158 4.342389 5.410556 5.252138 2.632732 4.048489 2.465497 3.649261 0.000000 2.071695 3.368140 4.107717 4.749556 5.817520 6.947233 1.095950 4.750871 4.831173 2.485388 6.266877 5.810917 6.734473 7.784319 7.671115 7.301048 2.112014 5.882935 6.768056 5.520820 3.097211 4.366148 3.626674 4.125085 1.763650 0.000000 3.049757 2.651676 2.130902 3.408737 3.880348 7.027386 4.053929 1.084774 4.639199 4.106281 3.384546 2.155765 5.301617 8.424021 6.858424 7.247347 3.945728 5.838654 6.123312 6.069760 4.911196 5.419997 3.698006 2.508423 4.777462 4.750630 0.000000 3.562609 2.704011 2.762463 2.173189 3.433138 6.745214 3.364957 4.130409 1.081493 4.329425 4.634216 4.906336 3.878644 7.457060 6.717152 7.815547 3.651064 2.120600 3.397391 5.493559 3.568165 4.544416 1.969057 3.549930 2.720347 4.367278 4.843350 0.000000 2.107483 3.352273 4.613980 5.656154 6.884413 8.906049 2.632034 5.117362 5.835203 1.091872 7.199088 6.436290 8.000328 9.875459 9.442927 9.193526 3.951209 7.093171 8.095361 7.510925 5.108434 6.377919 3.657364 3.526621 3.106629 2.240461 4.727599 5.179977 0.000000 2.107384 2.615734 4.001874 5.202257 6.455569 9.369717 3.354162 4.440117 5.512108 1.091972 6.704297 5.844931 7.665385 10.461133 9.628581 9.741093 4.575249 6.863008 7.843478 8.028809 5.731845 6.945411 2.985086 2.260940 3.727807 3.505750 3.944471 4.884243 1.769740 0.000000 2.147634 2.683134 4.147595 4.966314 6.353595 9.023292 2.687555 5.033009 4.826715 1.103216 6.944847 6.391408 7.340833 9.906394 9.397265 9.589532 4.147702 6.052929 7.222431 7.592906 5.049231 6.417364 2.462753 2.905883 2.561769 2.836503 4.890038 3.974070 1.777605 1.776530 0.000000 6.170932 5.432405 3.917820 3.446223 2.161670 4.683287 6.297420 3.404145 4.606026 7.568109 1.084803 2.143225 2.680321 5.995931 3.658867 5.235134 5.296018 4.841397 4.049425 4.510738 5.196240 4.681704 5.961443 5.839276 6.658201 7.211990 4.288299 5.566078 8.230145 7.764859 8.020939 0.000000 5.166438 4.649599 3.413648 3.909625 3.409665 6.020252 5.732442 2.162930 5.330989 6.431525 2.138099 1.084338 4.602718 7.515868 5.459744 6.118369 5.003495 6.120670 5.820603 5.545917 5.519610 5.389963 5.529292 4.728895 6.402240 6.492412 2.470110 5.974345 7.001959 6.392410 7.146025 2.479363 0.000000 6.857580 6.007732 4.627955 3.443391 2.159462 4.368680 6.629478 4.831125 3.881954 8.204423 2.674047 4.042720 1.084455 5.177863 3.235836 5.523327 5.656881 3.401799 2.139363 4.232685 5.038728 4.464667 6.123745 6.647537 6.612980 7.614651 5.895305 4.963038 8.927560 8.594171 8.359477 2.427905 4.740968 0.000000 8.413627 8.651262 7.796225 7.072967 6.570259 2.187487 7.285271 8.033969 7.150647 9.659954 6.881106 7.610557 6.164584 1.093159 3.485992 2.769876 5.938847 6.779191 6.274078 2.733765 4.860706 3.620704 8.844150 9.647563 7.396402 7.581442 8.778408 7.755597 9.748622 10.510498 9.884831 6.800020 8.087542 6.086535 0.000000 8.339558 8.278314 7.300375 6.313905 5.671758 2.187055 7.308316 7.657979 6.262667 9.630085 6.174007 7.154135 4.947965 1.093117 2.770154 3.485806 6.015511 5.625046 4.921383 2.726847 4.805144 3.601406 8.347445 9.267171 7.257371 7.828572 8.552046 6.989866 9.909335 10.432151 9.748608 6.030421 7.746580 4.790343 1.773962 0.000000 9.331149 9.352117 8.270301 7.429172 6.606089 2.171855 8.374561 8.359855 7.637373 10.680190 6.759002 7.658064 6.004494 1.093939 2.754567 2.758563 6.957482 7.122314 6.285381 3.408788 5.915163 4.544109 9.585570 10.281320 8.510842 8.819725 9.177703 8.420194 10.886931 11.433925 10.943207 6.406112 8.031141 5.618283 1.773773 1.773694 0.000000 8.661677 8.405638 7.073510 6.261774 5.103553 2.171919 8.064441 6.900332 6.816508 10.112034 4.912502 5.897470 4.578264 2.763056 1.094098 2.746657 6.635899 6.421295 5.327663 3.402190 5.845663 4.511889 8.770230 9.172328 8.319755 8.715686 7.751306 7.774014 10.489491 10.669480 10.480682 4.283163 6.130834 3.901334 3.765534 3.119645 2.541022 0.000000 7.075101 6.773755 5.403558 4.736029 3.586487 2.189654 6.648557 5.138065 5.518122 8.540671 3.225671 4.134847 3.448470 3.485807 1.092929 2.779874 5.263589 5.408611 4.463509 2.711059 4.698674 3.538114 7.231681 7.481835 6.995911 7.365695 5.981057 6.467149 8.966680 9.023463 8.971369 2.716272 4.412812 2.972138 4.340523 3.774155 3.765039 1.775192 0.000000 7.596302 7.199408 5.913737 4.884341 3.806363 2.187433 6.966142 6.034407 5.227179 9.010297 4.060346 5.224769 3.039514 2.760514 1.092216 3.484425 5.655885 4.695905 3.597656 2.727679 4.732875 3.572972 7.402895 8.025895 7.045688 7.729682 7.005797 6.197270 9.488337 9.601354 9.239674 3.680597 5.751874 2.531327 3.772487 2.556449 3.091007 1.774656 1.771335 0.000000 7.761531 8.172304 7.271832 6.955715 6.414276 2.187775 6.875717 7.102858 7.491783 9.055703 6.230620 6.592792 6.490904 2.773262 3.486200 1.093134 5.423333 7.537363 7.057353 2.727351 4.842964 3.596785 8.671439 9.025918 7.361855 7.069789 7.630613 8.101576 9.038924 9.775411 9.555784 6.124925 6.780576 6.385620 2.568916 3.781031 3.113375 3.755065 3.785971 4.338753 0.000000 7.207172 7.424252 6.332587 6.100403 5.369497 2.187113 6.619053 5.913704 6.913938 8.596152 4.876231 5.182153 5.613939 3.485563 2.766924 1.093112 5.142281 7.077738 6.475603 2.724090 4.787976 3.572184 8.048771 8.154001 7.212099 6.988367 6.440268 7.635608 8.714373 9.160278 9.192553 4.654003 5.221405 5.410471 3.779982 4.338568 3.761897 3.089440 2.573595 3.779138 1.773930 0.000000 8.761492 8.923712 7.791744 7.326412 6.460438 2.171935 8.030610 7.488858 7.960624 10.150046 6.111972 6.668868 6.341923 2.755041 2.757919 1.093949 6.533492 7.845160 7.064506 3.406162 5.905063 4.528825 9.435558 9.715371 8.486506 8.394048 8.108740 8.742694 10.269876 10.777374 10.656836 5.701549 6.738776 5.943751 3.103041 3.761035 2.535895 2.526502 3.123649 3.757411 1.773922 1.774007 0.000000 2.744154 3.424367 3.098808 3.612892 4.119968 4.853001 2.209006 3.207906 4.307477 4.059794 4.183223 3.775205 5.118492 6.015652 5.424571 5.056142 1.086255 5.238709 5.601832 3.587449 2.102642 2.686087 4.105391 4.228027 3.094720 2.623684 3.458817 4.458295 4.182105 4.727378 4.690279 4.969892 4.346704 5.766268 6.029563 6.245880 6.934878 6.419896 4.960745 5.684913 5.049159 4.560832 6.117751 0.000000 5.854442 5.050628 4.644871 3.419985 3.891725 6.421313 5.326200 5.833202 2.132346 6.700785 5.309834 6.121875 3.388908 6.725354 6.227426 7.801869 5.148194 1.084442 2.166433 5.467332 4.419544 4.868641 4.394712 5.882475 4.599922 6.254692 6.760228 2.434482 7.463284 7.313516 6.282718 5.907286 7.188581 4.293628 7.149595 5.961440 7.585628 7.156529 6.303521 5.395760 8.182812 7.901232 8.560786 5.973646 0.000000 7.192072 6.335929 5.355120 3.923024 3.417990 5.297344 6.701612 6.117586 3.401078 8.337225 4.602625 5.817586 2.137295 5.549005 4.633787 6.758467 6.003162 2.169253 1.084229 4.881285 5.097570 4.841365 6.027122 7.119427 6.285368 7.670622 7.188198 4.281580 9.082481 8.880076 8.173144 4.741646 6.733509 2.473192 6.287833 4.743348 6.148991 5.348037 4.827747 3.617620 7.391802 6.932812 7.266756 6.527803 2.490944 0.000000 3.971361 4.182925 3.993185 3.511765 4.173577 4.680001 2.724072 4.933216 3.104299 4.993852 5.098719 5.424848 4.438295 5.182062 5.328193 5.626531 2.100473 3.454585 4.130764 3.256601 1.087880 2.140589 4.058470 5.274734 2.390905 3.315220 5.600384 3.136305 5.290121 5.925968 4.940476 5.828256 6.342885 5.268870 5.144974 4.910886 6.260121 6.384875 5.377051 5.080409 5.594875 5.693709 6.634425 3.065561 3.741459 4.800322 0.000000 C21H25N C1 1 C1 1 C1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 266.23139999999984 AuxInfo=1/0/N:2;3;4;5;6;7;8;9;10;11;12;13;14;15;16;17;18;19;20;21;22;1;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/rA:47nN0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:3.4583,-1.4033,.2068;3.4349,.08,.1947;2.1594,.7024,.7299;1.2124,1.3807,-.1052;.0176,1.9115,.4903;-3.8108,-.9636,.1302;2.4914,-1.9948,-.7394;1.9091,.6101,2.0855;1.365,1.5187,-1.5132;4.8114,-1.843,-.1583;-.1959,1.7717,1.8856;.7363,1.1357,2.6691;-.951,2.5503,-.3307;-4.7979,-1.1493,-1.0423;-3.8962,.4881,.6543;-4.1632,-1.9462,1.2681;1.0639,-1.8907,-.2952;.4051,2.1364,-2.281;-.7667,2.6613,-1.6872;-2.4399,-1.2251,-.3327;.052,-1.5574,-1.1095;-1.2973,-1.4139,-.6855;3.6651,.4499,-.8129;4.2581,.4067,.8345;2.6056,-1.5693,-1.7503;2.7453,-3.0582,-.8154;2.6323,.1111,2.7218;2.2422,1.115,-2.0003;4.8713,-2.9326,-.1196;5.5377,-1.435,.5477;5.1007,-1.5186,-1.1722;-1.1065,2.1722,2.3182;.5772,1.0319,3.7367;-1.8484,2.9395,.1375;-4.7592,-2.1716,-1.4275;-4.566,-.4621,-1.8602;-5.8174,-.9476,-.7007;-4.9081,.6859,1.0203;-3.1924,.6505,1.4744;-3.6686,1.2025,-.1399;-4.1073,-2.9815,.9217;-3.4794,-1.8262,2.1125;-5.1816,-1.7536,1.6181;.8635,-2.1123,.7492;.5453,2.2182,-3.3532;-1.5161,3.1434,-2.3048;.2621,-1.3127,-2.1485; 0.4118085 0.1970815 0.1760431 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= 634 RedAO= T EigKep= 1.01D-06 NBF= 634 NBsUse= 629 1.00D-06 EigRej= 5.58D-07 NBFU= 629 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= 655 655 655 655 655 MxSgAt= 47 MxSgA2= 47. 1 Closed 1 1 1 -870.250811850449 -870.250811850 1 8.661226430145e+02 -5.539035083149e+03 2.042777014397e+03 Using DIIS extrapolation, IDIIS= 1040. NGot= 4246732800 LenX= 4245848878 LenY= 4245417886 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 3.9657 312.65 0.0319 0.000 77 80 0.22793 78 80 0.11641 79 80 0.64959 -870.105076847 2 Singlet-A 3.9809 311.45 0.0079 0.000 78 80 0.67777 79 80 -0.15463 3 Singlet-A 4.2207 293.75 0.0520 0.000 77 80 0.64955 78 80 -0.12328 79 80 -0.18978 79 81 -0.11304 4 Singlet-A 4.3640 284.11 0.0003 0.000 76 80 -0.48254 77 82 -0.10933 79 82 0.48498 5 Singlet-A 4.6406 267.17 0.0382 0.000 78 81 0.28511 79 81 0.60783 79 82 -0.11560 6 Singlet-A 4.7699 259.93 0.0725 0.000 77 81 0.34168 78 81 0.53060 79 81 -0.27586 7 Singlet-A 4.8837 253.87 0.0171 0.000 77 81 -0.10131 77 82 -0.13643 78 82 0.65920 79 82 -0.14012 8 Singlet-A 4.9748 249.23 0.0353 0.000 76 80 0.17383 77 82 0.58807 78 82 0.18604 79 82 0.27758 9 Singlet-A 5.0182 247.07 0.0034 0.000 75 80 0.62179 75 81 0.29340 77 81 0.11907 10 Singlet-A 5.1240 241.97 0.2029 0.000 76 80 -0.10753 77 81 0.56634 78 81 -0.31631 PT45472.900S Fri Dec 9 00:18:23 2022 -14.31046 -10.20268 -10.19203 -10.19091 -10.18678 -10.18497 -10.18377 -10.18305 -10.17813 -10.17630 -10.17410 -10.17395 -10.17375 -10.17310 -10.17302 -10.17271 -10.17139 -10.16634 -10.16409 -10.15504 -10.15503 -10.15404 -0.92246 -0.87680 -0.83066 -0.82521 -0.80507 -0.78441 -0.74401 -0.74253 -0.73277 -0.69273 -0.68664 -0.68372 -0.68324 -0.62697 -0.61699 -0.61485 -0.59487 -0.57473 -0.56149 -0.51682 -0.51088 -0.50052 -0.49429 -0.47354 -0.46977 -0.46408 -0.45212 -0.44399 -0.43785 -0.43748 -0.42828 -0.42365 -0.41632 -0.40142 -0.39872 -0.39067 -0.38874 -0.38727 -0.38090 -0.37199 -0.36815 -0.36405 -0.36234 -0.36001 -0.35158 -0.34181 -0.33826 -0.33676 -0.33125 -0.32492 -0.31821 -0.28881 -0.26596 -0.25131 -0.23111 -0.22526 -0.21864 -0.05298 -0.02381 -0.02166 0.00441 0.00967 0.01423 0.01593 0.02192 0.02824 0.03226 0.03413 0.03685 0.04201 0.04472 0.04973 0.05166 0.05405 0.05705 0.05767 0.06375 0.06579 0.07083 0.07353 0.07654 0.07988 0.08133 0.08298 0.08543 0.09191 0.09569 0.09709 0.10256 0.10283 0.10809 0.11378 0.11550 0.11747 0.12053 0.12443 0.12852 0.13087 0.13151 0.13546 0.14074 0.14351 0.14708 0.14978 0.15541 0.15661 0.16068 0.16261 0.16679 0.17105 0.17231 0.17541 0.17833 0.18029 0.18252 0.18799 0.19007 0.19492 0.19671 0.19706 0.20178 0.20441 0.20615 0.21018 0.21257 0.21518 0.21629 0.21772 0.21962 0.22190 0.22300 0.22419 0.22557 0.22918 0.23229 0.23801 0.24119 0.24350 0.24452 0.24570 0.24692 0.24940 0.25010 0.25327 0.25677 0.25895 0.25987 0.26372 0.26615 0.26977 0.27138 0.27228 0.27487 0.27985 0.28394 0.28520 0.28658 0.28796 0.29212 0.29320 0.29632 0.29779 0.30180 0.30366 0.30749 0.30928 0.31381 0.31806 0.32150 0.32247 0.32679 0.33093 0.33309 0.33692 0.34033 0.34648 0.34805 0.35604 0.35860 0.36508 0.36814 0.37213 0.38181 0.38515 0.38917 0.40546 0.40618 0.41305 0.42586 0.44261 0.44701 0.45672 0.46729 0.47413 0.47903 0.48389 0.48803 0.50105 0.50666 0.50893 0.51305 0.52221 0.52912 0.53917 0.54589 0.54748 0.55440 0.56014 0.56256 0.56675 0.57638 0.57819 0.58391 0.58672 0.58954 0.59800 0.60058 0.60441 0.60923 0.61385 0.62042 0.63079 0.63620 0.63960 0.64955 0.65110 0.65920 0.66409 0.66590 0.67126 0.67864 0.67939 0.68694 0.69233 0.69317 0.69727 0.70364 0.70471 0.70737 0.71068 0.71411 0.71871 0.72139 0.72583 0.72623 0.72810 0.73017 0.73786 0.74116 0.74409 0.74835 0.75500 0.76242 0.76373 0.76910 0.77565 0.77703 0.77823 0.78334 0.78610 0.78876 0.79582 0.80056 0.80292 0.81314 0.82561 0.83056 0.83237 0.83617 0.84730 0.85481 0.85799 0.86032 0.86667 0.87095 0.87743 0.89109 0.89434 0.90014 0.90812 0.91676 0.92992 0.93174 0.93913 0.95129 0.96888 0.97397 0.98307 0.99347 0.99460 0.99871 1.00346 1.01026 1.02134 1.02722 1.04227 1.05042 1.06356 1.06576 1.07459 1.08083 1.09081 1.09886 1.10749 1.11438 1.12099 1.12596 1.13732 1.14902 1.15492 1.16484 1.17257 1.18078 1.18969 1.19843 1.20099 1.20880 1.24140 1.25778 1.26673 1.28074 1.29254 1.29613 1.31160 1.32803 1.34605 1.36071 1.38110 1.38572 1.42085 1.43345 1.44588 1.45460 1.45681 1.46424 1.46845 1.47600 1.48156 1.48771 1.49659 1.49922 1.50429 1.50935 1.51606 1.51990 1.53070 1.54105 1.54545 1.55424 1.55517 1.56229 1.56617 1.57204 1.58092 1.58832 1.59335 1.59948 1.60846 1.61086 1.61582 1.62527 1.63029 1.63583 1.64153 1.64799 1.65589 1.66256 1.66542 1.66884 1.67442 1.68384 1.69057 1.69655 1.70361 1.71144 1.72693 1.74049 1.74634 1.74884 1.75270 1.75734 1.76173 1.76898 1.77193 1.77933 1.78305 1.78694 1.79772 1.80823 1.81640 1.82833 1.83662 1.84042 1.84649 1.86131 1.86816 1.87474 1.89789 1.90342 1.91633 1.92256 1.93047 1.94010 1.94126 1.94876 1.95239 1.96204 1.96416 1.97568 1.97741 1.98503 1.99226 1.99895 2.00007 2.00686 2.01273 2.02366 2.03117 2.04289 2.06193 2.07063 2.09060 2.10652 2.11844 2.12301 2.12516 2.12687 2.14072 2.15458 2.16456 2.17544 2.18477 2.19706 2.20709 2.21419 2.21576 2.22466 2.23741 2.25241 2.25414 2.27997 2.28453 2.30923 2.31767 2.33775 2.36795 2.37907 2.39969 2.41513 2.41890 2.43096 2.43702 2.43922 2.44914 2.45443 2.46302 2.48134 2.49254 2.50168 2.50583 2.50617 2.52773 2.52938 2.53909 2.54488 2.55071 2.55604 2.55962 2.56180 2.57138 2.57643 2.58766 2.59170 2.61963 2.62518 2.63314 2.64908 2.65206 2.65616 2.66455 2.67549 2.68757 2.70295 2.71599 2.72427 2.73034 2.73647 2.74186 2.74989 2.75622 2.75926 2.76943 2.77331 2.77367 2.77923 2.78620 2.79126 2.80595 2.80964 2.83478 2.83673 2.83960 2.86103 2.86181 2.86913 2.87680 2.88454 2.90676 2.91090 2.91936 2.92555 2.93315 2.93414 2.94414 2.95079 2.95955 2.96885 2.97950 2.99039 3.00470 3.01974 3.03947 3.05150 3.06076 3.07534 3.09499 3.10609 3.11192 3.13588 3.14047 3.15043 3.16567 3.20455 3.20888 3.22204 3.23024 3.25029 3.28178 3.28941 3.33482 3.37292 3.40268 3.42887 3.43119 3.49918 3.51759 3.54881 3.56166 3.56834 3.58672 3.60890 3.64227 3.65172 3.68703 3.71896 3.73193 3.77690 3.78444 3.80208 3.81403 3.82027 3.83018 3.83594 3.83867 3.84282 3.85196 3.87293 3.87639 4.01061 4.04547 4.05487 4.07358 4.13903 4.20568 4.22318 4.29019 4.29582 4.29916 4.35183 4.40651 4.46097 4.83078 4.84198 4.85452 4.87229 23.53757 23.60335 23.80685 23.83983 23.85474 23.87951 23.94947 23.95314 23.96757 23.97382 23.97973 23.98517 24.00216 24.01241 24.02537 24.11863 24.13586 24.19388 24.20283 24.24105 25.13491 35.54251 1-A. Mulliken charges: 1 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 N C C C C C C C C C C C C C C C C C C C C C H H H H H H H H H H H H H H H H H H H H H H H H H 0.009305 -0.806404 0.745463 0.855923 0.439925 0.415010 -0.628715 -0.340012 -0.676248 -0.273401 -0.254708 -0.425021 -0.192576 -0.643186 -0.415692 -0.650821 -0.216936 -0.550491 -0.383466 0.133519 -0.130929 0.019036 0.154328 0.182649 0.156956 0.186054 0.155830 0.156639 0.149343 0.150625 0.136272 0.157101 0.163008 0.156692 0.159586 0.155818 0.158396 0.156531 0.152047 0.152571 0.159986 0.153683 0.157608 0.164270 0.161297 0.162153 0.170982 0.00000 0.5588 0.4295 -0.7489 1.0284 -112.0777 -139.5819 -125.7477 -8.4920 -7.0056 -0.4441 13.7248 -13.7795 0.0547 -8.4920 -7.0056 -0.4441 6.0224 -23.2787 1.1207 -7.8495 -11.9333 0.4315 6.9766 12.2806 -7.6541 8.1120 -5673.7850 -2397.2734 -1360.1493 -57.0743 -50.8676 -119.7972 -11.3229 -7.8894 -29.9060 -1383.0431 -1273.4023 -635.4344 10.1567 -17.1898 -25.6223 (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A) (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(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-CIBELES2-317 APULGAR 2022-12-09T00:00:00.000 0 Electronic spectrum terbinafine CONF22 water 0 1 Version=EM64L-G16RevC.01 State=1-A HF=-870.2508119 RMSD=2.488e-09 PG=C01 [X(C21H25N1)] 0 -3.4110690204 -1.5005126203 -0.1671167074 0 -3.4144352418 -0.0170363296 -0.1498529225 0 -2.1584067268 0.6303364866 -0.7011993862 0 -1.2118149389 1.3229255112 0.1225624166 0 -0.0357488979 1.8775395547 -0.4882127209 0 3.8492152387 -0.9284290789 -0.1942304657 0 -2.4197968326 -2.0775272455 0.7627417158 0 -1.9261925241 0.5472509208 -2.0606685775 0 -1.3464583742 1.4532499172 1.5331794939 0 -4.7504082814 -1.9661077046 0.2158289716 0 0.1599727397 1.7463943048 -1.8869475163 0 -0.7717764313 1.0962023807 -2.6592447384 0 0.9329249639 2.5310624568 0.3211058525 0 4.8565109757 -1.1001549971 0.9631118347 0 3.900592306 0.5263005071 -0.7141177773 0 4.2028715538 -1.9005213575 -1.3408100828 0 -1.001129524 -1.9458855485 0.2982537049 0 -0.3868486592 2.0857414702 2.2892748619 0 0.7664245573 2.633927604 1.6804798171 0 2.4901910586 -1.2165911425 0.2874693909 0 0.0162734913 -1.5969140546 1.0990778608 0 1.3564550843 -1.4273532642 0.6561178465 0 -3.6366683369 0.345049825 0.8622889408 0 -4.2526466442 0.29674644 -0.7765273289 0 -2.5270108926 -1.6577063092 1.7767842593 0 -2.6532160386 -3.1456540641 0.8384114558 0 -2.649369933 0.0373680485 -2.6881791631 0 -2.2089349293 1.0319526119 2.0314460519 0 -4.79102702 -3.0564207727 0.1739830736 0 -5.4942700354 -1.5690250801 -0.4779998048 0 -5.0308407629 -1.6505608372 1.2350800235 0 1.0567823736 2.1649274689 -2.3311997842 0 -0.6263769877 0.9990451122 -3.7293890706 0 1.816178603 2.9382048668 -0.1586249979 0 4.8420179936 -2.124334141 1.3450068719 0 4.624057249 -0.4201474453 1.7867991172 0 5.867055009 -0.8786694827 0.6075178978 0 4.9032734733 0.7438451667 -1.0940593194 0 3.1820145765 0.6786673791 -1.5233917613 0 3.6715740615 1.2337044321 0.0859229072 0 4.1708828036 -2.9378374508 -0.9974537418 0 3.5047843798 -1.7901377068 -2.1747070268 0 5.2123873137 -1.6881567392 -1.7048196016 0 -0.8118791627 -2.1602056279 -0.7496972379 0 -0.5129194458 2.1612426165 3.3637143712 0 1.5158512313 3.1275631233 2.2889507041 0 -0.1830200433 -1.3596743067 2.1419023303 Gaussian 16 9-Dec-2022 Gaussian 16 3-Jul-2019 EM64L-G16RevC.01 135 C1[X(C21H25N)] RB3LYP 6-311+G(3df,2p) SP #P B3LYP 6-311+G(3df,2p) EmpiricalDispersion=gd3 scrf=(smd,Solvent=Water) geom=check guess=read 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 266.23139999999984 AuxInfo=1/0/N:2;3;4;5;6;7;8;9;10;11;12;13;14;15;16;17;18;19;20;21;22;1;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/rA:47nN0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:-3.4111,-1.5005,-.1671;-3.4144,-.017,-.1499;-2.1584,.6303,-.7012;-1.2118,1.3229,.1226;-.0357,1.8775,-.4882;3.8492,-.9284,-.1942;-2.4198,-2.0775,.7627;-1.9262,.5473,-2.0607;-1.3465,1.4532,1.5332;-4.7504,-1.9661,.2158;.16,1.7464,-1.8869;-.7718,1.0962,-2.6592;.9329,2.5311,.3211;4.8565,-1.1002,.9631;3.9006,.5263,-.7141;4.2029,-1.9005,-1.3408;-1.0011,-1.9459,.2983;-.3868,2.0857,2.2893;.7664,2.6339,1.6805;2.4902,-1.2166,.2875;.0163,-1.5969,1.0991;1.3565,-1.4274,.6561;-3.6367,.3451,.8623;-4.2526,.2967,-.7765;-2.527,-1.6577,1.7768;-2.6532,-3.1457,.8384;-2.6494,.0374,-2.6882;-2.2089,1.032,2.0314;-4.791,-3.0564,.174;-5.4943,-1.569,-.478;-5.0308,-1.6506,1.2351;1.0568,2.1649,-2.3312;-.6264,.999,-3.7294;1.8162,2.9382,-.1586;4.842,-2.1243,1.345;4.6241,-.4201,1.7868;5.8671,-.8787,.6075;4.9033,.7438,-1.0941;3.182,.6787,-1.5234;3.6716,1.2337,.0859;4.1709,-2.9378,-.9975;3.5048,-1.7901,-2.1747;5.2124,-1.6882,-1.7048;-.8119,-2.1602,-.7497;-.5129,2.1612,3.3637;1.5159,3.1276,2.289;-.183,-1.3597,2.1419; oldchk=/home/apulgar/almacen/pesticidas/G2-G4/terbinafine/gaussian/water/CONF22 #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 terbinafine CONF22 water Redundant internal coordinates found in file. (old form). 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 14 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 14.0030740 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 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 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4.5500000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 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 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 1215 A 1083 A 1083 1551 1215 79 79 1759.9280455890 47 47 47 1.00e+00 60 F IExCor= 402 DFT=T Ex+Corr=B3LYP ExCW=0 ScaHFX= 0.200000 ScaDFX= 0.800000 0.720000 1.000000 0.810000 ScalE2= 1.000000 1.000000 IRadAn= 5 IRanWt= -1 IRanGd= 0 ICorTp=0 IEmpDi=131 Grimme-D3 -0.0518900412 PCM SMD-Coulomb. Total charges None On-the-fly selection Water 78.355300 1.777849 0.000000 1.483581 0.000000 2.528819 1.516800 0.000000 3.590604 2.592536 1.433283 0.000000 4.786139 3.888371 2.471144 1.436584 0.000000 7.282839 7.320739 6.227222 5.548241 4.801336 0.000000 1.476551 2.463282 3.089332 3.664987 4.784467 6.444900 0.000000 3.159704 2.486866 1.381660 2.424563 2.795722 6.246324 3.886483 0.000000 3.984763 3.044810 2.515730 1.423009 2.446223 5.970876 3.769883 3.751356 0.000000 1.468760 2.391114 3.781658 4.831985 6.123505 8.671704 2.396514 4.413118 5.001429 0.000000 5.123725 4.347824 2.833102 2.469667 1.418438 4.861119 5.319628 2.412511 3.748671 6.505089 0.000000 4.463126 3.810511 2.444119 2.825507 2.421901 5.615068 4.949598 1.411495 4.246665 5.785612 1.373808 0.000000 5.946616 5.061042 3.770172 2.469600 1.421414 4.553944 5.716195 4.216979 2.797569 7.248165 2.467521 3.721199 0.000000 8.354076 8.415485 7.414419 6.588051 5.908233 1.543883 7.344390 7.606725 6.732138 9.674771 6.187338 7.044365 5.384463 0.000000 7.607074 7.356850 6.059906 5.241312 4.167933 1.545691 6.993451 5.980390 5.782830 9.050785 4.105654 5.093068 3.727976 2.524329 0.000000 7.714250 7.936577 6.876060 6.469227 5.741652 1.544241 6.950971 6.638916 7.092437 9.087830 5.472046 5.955312 5.752691 2.525052 2.524595 0.000000 2.494541 3.121747 2.995850 3.280302 4.021078 4.980322 1.498565 3.554713 3.632962 3.750239 4.444794 4.248964 4.876900 5.955606 5.582426 5.456209 0.000000 5.295374 4.420102 3.768230 2.440717 2.807322 5.761706 4.878113 4.864005 1.375709 6.305340 4.225518 5.061146 2.411183 6.277059 5.462085 7.080490 4.538229 0.000000 6.161060 5.278003 4.270997 2.838884 2.432865 5.070357 5.761255 5.059703 2.424865 7.330823 3.725861 4.854263 1.373390 5.584514 4.472046 6.441940 5.099950 1.414630 0.000000 5.925549 6.041092 5.098830 4.492348 4.068870 1.470381 5.007502 5.303710 4.837326 7.279642 4.351700 4.967149 4.058462 2.463640 2.455622 2.460148 3.566694 4.815598 4.442786 0.000000 3.655026 3.978141 3.595953 3.314702 3.820213 4.100117 2.505703 4.284229 3.368825 4.861861 4.484942 4.690297 4.299498 4.867562 4.783686 4.855186 1.340973 3.891147 4.335986 2.631278 0.000000 4.838631 5.039839 4.293093 3.800622 3.764311 2.680647 3.833298 4.696357 4.046338 6.146372 4.239272 4.678604 3.995080 3.528696 3.488115 3.509088 2.440317 4.248311 4.229829 1.210653 1.421637 0.000000 2.125246 1.097691 2.170516 2.717232 4.139928 7.666579 2.712852 3.392682 2.631209 2.645709 4.892499 4.601417 5.094381 8.615850 7.702481 8.447166 3.537313 3.953179 5.029476 6.348822 4.143824 5.302377 0.000000 2.076000 1.092602 2.121980 3.332876 4.512678 8.214639 3.371330 2.669112 3.888210 2.520525 4.775534 4.037352 5.752140 9.378402 8.156709 8.754552 4.093521 5.248242 6.057258 6.992005 5.032646 6.040448 1.751423 0.000000 2.141266 2.681651 3.392847 3.653814 4.882065 6.713643 1.102736 4.466415 3.336330 2.734079 5.677210 5.508468 5.624583 7.449115 7.231083 7.420894 2.144158 4.342389 5.410556 5.252138 2.632732 4.048489 2.465497 3.649261 0.000000 2.071695 3.368140 4.107717 4.749556 5.817520 6.947233 1.095950 4.750871 4.831173 2.485388 6.266877 5.810917 6.734473 7.784319 7.671115 7.301048 2.112014 5.882935 6.768056 5.520820 3.097211 4.366148 3.626674 4.125085 1.763650 0.000000 3.049757 2.651676 2.130902 3.408737 3.880348 7.027386 4.053929 1.084774 4.639199 4.106281 3.384546 2.155765 5.301617 8.424021 6.858424 7.247347 3.945728 5.838654 6.123312 6.069760 4.911196 5.419997 3.698006 2.508423 4.777462 4.750630 0.000000 3.562609 2.704011 2.762463 2.173189 3.433138 6.745214 3.364957 4.130409 1.081493 4.329425 4.634216 4.906336 3.878644 7.457060 6.717152 7.815547 3.651064 2.120600 3.397391 5.493559 3.568165 4.544416 1.969057 3.549930 2.720347 4.367278 4.843350 0.000000 2.107483 3.352273 4.613980 5.656154 6.884413 8.906049 2.632034 5.117362 5.835203 1.091872 7.199088 6.436290 8.000328 9.875459 9.442927 9.193526 3.951209 7.093171 8.095361 7.510925 5.108434 6.377919 3.657364 3.526621 3.106629 2.240461 4.727599 5.179977 0.000000 2.107384 2.615734 4.001874 5.202257 6.455569 9.369717 3.354162 4.440117 5.512108 1.091972 6.704297 5.844931 7.665385 10.461133 9.628581 9.741093 4.575249 6.863008 7.843478 8.028809 5.731845 6.945411 2.985086 2.260940 3.727807 3.505750 3.944471 4.884243 1.769740 0.000000 2.147634 2.683134 4.147595 4.966314 6.353595 9.023292 2.687555 5.033009 4.826715 1.103216 6.944847 6.391408 7.340833 9.906394 9.397265 9.589532 4.147702 6.052929 7.222431 7.592906 5.049231 6.417364 2.462753 2.905883 2.561769 2.836503 4.890038 3.974070 1.777605 1.776530 0.000000 6.170932 5.432405 3.917820 3.446223 2.161670 4.683287 6.297420 3.404145 4.606026 7.568109 1.084803 2.143225 2.680321 5.995931 3.658867 5.235134 5.296018 4.841397 4.049425 4.510738 5.196240 4.681704 5.961443 5.839276 6.658201 7.211990 4.288299 5.566078 8.230145 7.764859 8.020939 0.000000 5.166438 4.649599 3.413648 3.909625 3.409665 6.020252 5.732442 2.162930 5.330989 6.431525 2.138099 1.084338 4.602718 7.515868 5.459744 6.118369 5.003495 6.120670 5.820603 5.545917 5.519610 5.389963 5.529292 4.728895 6.402240 6.492412 2.470110 5.974345 7.001959 6.392410 7.146025 2.479363 0.000000 6.857580 6.007732 4.627955 3.443391 2.159462 4.368680 6.629478 4.831125 3.881954 8.204423 2.674047 4.042720 1.084455 5.177863 3.235836 5.523327 5.656881 3.401799 2.139363 4.232685 5.038728 4.464667 6.123745 6.647537 6.612980 7.614651 5.895305 4.963038 8.927560 8.594171 8.359477 2.427905 4.740968 0.000000 8.413627 8.651262 7.796225 7.072967 6.570259 2.187487 7.285271 8.033969 7.150647 9.659954 6.881106 7.610557 6.164584 1.093159 3.485992 2.769876 5.938847 6.779191 6.274078 2.733765 4.860706 3.620704 8.844150 9.647563 7.396402 7.581442 8.778408 7.755597 9.748622 10.510498 9.884831 6.800020 8.087542 6.086535 0.000000 8.339558 8.278314 7.300375 6.313905 5.671758 2.187055 7.308316 7.657979 6.262667 9.630085 6.174007 7.154135 4.947965 1.093117 2.770154 3.485806 6.015511 5.625046 4.921383 2.726847 4.805144 3.601406 8.347445 9.267171 7.257371 7.828572 8.552046 6.989866 9.909335 10.432151 9.748608 6.030421 7.746580 4.790343 1.773962 0.000000 9.331149 9.352117 8.270301 7.429172 6.606089 2.171855 8.374561 8.359855 7.637373 10.680190 6.759002 7.658064 6.004494 1.093939 2.754567 2.758563 6.957482 7.122314 6.285381 3.408788 5.915163 4.544109 9.585570 10.281320 8.510842 8.819725 9.177703 8.420194 10.886931 11.433925 10.943207 6.406112 8.031141 5.618283 1.773773 1.773694 0.000000 8.661677 8.405638 7.073510 6.261774 5.103553 2.171919 8.064441 6.900332 6.816508 10.112034 4.912502 5.897470 4.578264 2.763056 1.094098 2.746657 6.635899 6.421295 5.327663 3.402190 5.845663 4.511889 8.770230 9.172328 8.319755 8.715686 7.751306 7.774014 10.489491 10.669480 10.480682 4.283163 6.130834 3.901334 3.765534 3.119645 2.541022 0.000000 7.075101 6.773755 5.403558 4.736029 3.586487 2.189654 6.648557 5.138065 5.518122 8.540671 3.225671 4.134847 3.448470 3.485807 1.092929 2.779874 5.263589 5.408611 4.463509 2.711059 4.698674 3.538114 7.231681 7.481835 6.995911 7.365695 5.981057 6.467149 8.966680 9.023463 8.971369 2.716272 4.412812 2.972138 4.340523 3.774155 3.765039 1.775192 0.000000 7.596302 7.199408 5.913737 4.884341 3.806363 2.187433 6.966142 6.034407 5.227179 9.010297 4.060346 5.224769 3.039514 2.760514 1.092216 3.484425 5.655885 4.695905 3.597656 2.727679 4.732875 3.572972 7.402895 8.025895 7.045688 7.729682 7.005797 6.197270 9.488337 9.601354 9.239674 3.680597 5.751874 2.531327 3.772487 2.556449 3.091007 1.774656 1.771335 0.000000 7.761531 8.172304 7.271832 6.955715 6.414276 2.187775 6.875717 7.102858 7.491783 9.055703 6.230620 6.592792 6.490904 2.773262 3.486200 1.093134 5.423333 7.537363 7.057353 2.727351 4.842964 3.596785 8.671439 9.025918 7.361855 7.069789 7.630613 8.101576 9.038924 9.775411 9.555784 6.124925 6.780576 6.385620 2.568916 3.781031 3.113375 3.755065 3.785971 4.338753 0.000000 7.207172 7.424252 6.332587 6.100403 5.369497 2.187113 6.619053 5.913704 6.913938 8.596152 4.876231 5.182153 5.613939 3.485563 2.766924 1.093112 5.142281 7.077738 6.475603 2.724090 4.787976 3.572184 8.048771 8.154001 7.212099 6.988367 6.440268 7.635608 8.714373 9.160278 9.192553 4.654003 5.221405 5.410471 3.779982 4.338568 3.761897 3.089440 2.573595 3.779138 1.773930 0.000000 8.761492 8.923712 7.791744 7.326412 6.460438 2.171935 8.030610 7.488858 7.960624 10.150046 6.111972 6.668868 6.341923 2.755041 2.757919 1.093949 6.533492 7.845160 7.064506 3.406162 5.905063 4.528825 9.435558 9.715371 8.486506 8.394048 8.108740 8.742694 10.269876 10.777374 10.656836 5.701549 6.738776 5.943751 3.103041 3.761035 2.535895 2.526502 3.123649 3.757411 1.773922 1.774007 0.000000 2.744154 3.424367 3.098808 3.612892 4.119968 4.853001 2.209006 3.207906 4.307477 4.059794 4.183223 3.775205 5.118492 6.015652 5.424571 5.056142 1.086255 5.238709 5.601832 3.587449 2.102642 2.686087 4.105391 4.228027 3.094720 2.623684 3.458817 4.458295 4.182105 4.727378 4.690279 4.969892 4.346704 5.766268 6.029563 6.245880 6.934878 6.419896 4.960745 5.684913 5.049159 4.560832 6.117751 0.000000 5.854442 5.050628 4.644871 3.419985 3.891725 6.421313 5.326200 5.833202 2.132346 6.700785 5.309834 6.121875 3.388908 6.725354 6.227426 7.801869 5.148194 1.084442 2.166433 5.467332 4.419544 4.868641 4.394712 5.882475 4.599922 6.254692 6.760228 2.434482 7.463284 7.313516 6.282718 5.907286 7.188581 4.293628 7.149595 5.961440 7.585628 7.156529 6.303521 5.395760 8.182812 7.901232 8.560786 5.973646 0.000000 7.192072 6.335929 5.355120 3.923024 3.417990 5.297344 6.701612 6.117586 3.401078 8.337225 4.602625 5.817586 2.137295 5.549005 4.633787 6.758467 6.003162 2.169253 1.084229 4.881285 5.097570 4.841365 6.027122 7.119427 6.285368 7.670622 7.188198 4.281580 9.082481 8.880076 8.173144 4.741646 6.733509 2.473192 6.287833 4.743348 6.148991 5.348037 4.827747 3.617620 7.391802 6.932812 7.266756 6.527803 2.490944 0.000000 3.971361 4.182925 3.993185 3.511765 4.173577 4.680001 2.724072 4.933216 3.104299 4.993852 5.098719 5.424848 4.438295 5.182062 5.328193 5.626531 2.100473 3.454585 4.130764 3.256601 1.087880 2.140589 4.058470 5.274734 2.390905 3.315220 5.600384 3.136305 5.290121 5.925968 4.940476 5.828256 6.342885 5.268870 5.144974 4.910886 6.260121 6.384875 5.377051 5.080409 5.594875 5.693709 6.634425 3.065561 3.741459 4.800322 0.000000 C21H25N C1 1 C1 1 C1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 266.23139999999984 AuxInfo=1/0/N:2;3;4;5;6;7;8;9;10;11;12;13;14;15;16;17;18;19;20;21;22;1;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/rA:47nN0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:3.4583,-1.4033,.2068;3.4349,.08,.1947;2.1594,.7024,.7299;1.2124,1.3807,-.1052;.0176,1.9115,.4903;-3.8108,-.9636,.1302;2.4914,-1.9948,-.7394;1.9091,.6101,2.0855;1.365,1.5187,-1.5132;4.8114,-1.843,-.1583;-.1959,1.7717,1.8856;.7363,1.1357,2.6691;-.951,2.5503,-.3307;-4.7979,-1.1493,-1.0423;-3.8962,.4881,.6543;-4.1632,-1.9462,1.2681;1.0639,-1.8907,-.2952;.4051,2.1364,-2.281;-.7667,2.6613,-1.6872;-2.4399,-1.2251,-.3327;.052,-1.5574,-1.1095;-1.2973,-1.4139,-.6855;3.6651,.4499,-.8129;4.2581,.4067,.8345;2.6056,-1.5693,-1.7503;2.7453,-3.0582,-.8154;2.6323,.1111,2.7218;2.2422,1.115,-2.0003;4.8713,-2.9326,-.1196;5.5377,-1.435,.5477;5.1007,-1.5186,-1.1722;-1.1065,2.1722,2.3182;.5772,1.0319,3.7367;-1.8484,2.9395,.1375;-4.7592,-2.1716,-1.4275;-4.566,-.4621,-1.8602;-5.8174,-.9476,-.7007;-4.9081,.6859,1.0203;-3.1924,.6505,1.4744;-3.6686,1.2025,-.1399;-4.1073,-2.9815,.9217;-3.4794,-1.8262,2.1125;-5.1816,-1.7536,1.6181;.8635,-2.1123,.7492;.5453,2.2182,-3.3532;-1.5161,3.1434,-2.3048;.2621,-1.3127,-2.1485; 0.4118085 0.1970815 0.1760431 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= 1083 RedAO= T EigKep= 1.01D-06 NBF= 1083 NBsUse= 1076 1.00D-06 EigRej= 9.31D-07 NBFU= 1076 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= 1204 1204 1204 1204 1204 MxSgAt= 47 MxSgA2= 47. 1 Closed 1 1 1 -870.257554900853 -870.308605774957 -0.051050874104 -870.308657527661 -0.000051752704 -870.308756233934 -0.000098706274 -870.308760144574 -0.000003910639 -870.308762394539 -0.000002249965 -870.308762432376 -0.000000037837 -870.308762445623 -0.000000013247 -870.308762446398 -0.000000000775 -870.308762446634 -0.000000000236 -870.308762446650 -0.000000000016 -870.308762447 11 8.658781139029e+02 -5.539021446787e+03 2.042949956549e+03 Using DIIS extrapolation, IDIIS= 1040. NGot= 4246732800 LenX= 4243739790 LenY= 4242262350 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. PT43199.300S Fri Dec 9 00:48:28 2022 -14.31036 -10.20191 -10.19063 -10.18941 -10.18531 -10.18354 -10.18239 -10.18202 -10.17668 -10.17510 -10.17264 -10.17252 -10.17225 -10.17166 -10.17161 -10.17126 -10.16997 -10.16631 -10.16409 -10.15396 -10.15395 -10.15297 -0.92082 -0.87495 -0.82965 -0.82351 -0.80378 -0.78281 -0.74239 -0.74099 -0.73126 -0.69125 -0.68531 -0.68327 -0.68279 -0.62577 -0.61587 -0.61344 -0.59379 -0.57350 -0.56057 -0.51554 -0.50975 -0.49939 -0.49294 -0.47290 -0.46897 -0.46302 -0.45114 -0.44268 -0.43748 -0.43709 -0.42719 -0.42254 -0.41504 -0.40049 -0.39855 -0.39003 -0.38854 -0.38674 -0.38004 -0.37119 -0.36745 -0.36338 -0.36185 -0.35951 -0.35084 -0.34161 -0.33802 -0.33546 -0.33110 -0.32371 -0.31793 -0.28855 -0.26548 -0.25106 -0.23108 -0.22534 -0.21839 -0.05306 -0.02401 -0.02186 0.00337 0.00909 0.01296 0.01451 0.02046 0.02708 0.03100 0.03274 0.03548 0.04041 0.04357 0.04837 0.04994 0.05247 0.05550 0.05648 0.06241 0.06372 0.06927 0.07219 0.07482 0.07833 0.08011 0.08138 0.08343 0.08985 0.09324 0.09544 0.10050 0.10145 0.10604 0.11229 0.11313 0.11613 0.11932 0.12230 0.12549 0.12828 0.13000 0.13328 0.13825 0.14104 0.14493 0.14666 0.15197 0.15460 0.15824 0.15922 0.16396 0.16616 0.16829 0.17179 0.17475 0.17592 0.17756 0.18273 0.18463 0.18872 0.19008 0.19094 0.19793 0.19825 0.20133 0.20274 0.20611 0.20932 0.21028 0.21141 0.21264 0.21539 0.21599 0.21916 0.21946 0.22083 0.22247 0.22923 0.23283 0.23541 0.23786 0.23877 0.24016 0.24116 0.24139 0.24418 0.24698 0.24808 0.25229 0.25450 0.25741 0.26104 0.26233 0.26704 0.26723 0.26991 0.27251 0.27380 0.27931 0.28040 0.28279 0.28516 0.28821 0.28965 0.29022 0.29306 0.29704 0.30071 0.30216 0.30760 0.31388 0.31444 0.31670 0.31812 0.32182 0.32546 0.32748 0.33068 0.33323 0.33720 0.33998 0.34394 0.34662 0.35522 0.35831 0.35963 0.36402 0.36857 0.37328 0.37564 0.38018 0.38297 0.38774 0.39016 0.39539 0.40065 0.40682 0.40706 0.41013 0.41428 0.42613 0.43125 0.43248 0.43444 0.44201 0.44357 0.44518 0.44992 0.45175 0.45719 0.46043 0.46620 0.47186 0.47367 0.47800 0.48184 0.48425 0.48579 0.48774 0.49067 0.49592 0.50188 0.50543 0.50731 0.51176 0.51473 0.51875 0.52600 0.52755 0.53292 0.53939 0.54165 0.54815 0.55085 0.55233 0.55487 0.55864 0.55949 0.56294 0.56559 0.56600 0.57051 0.57746 0.57940 0.57942 0.58185 0.58272 0.58503 0.58941 0.59581 0.60105 0.60293 0.60699 0.60967 0.60992 0.61624 0.61675 0.62084 0.62436 0.62770 0.62833 0.62995 0.63490 0.63707 0.64101 0.64422 0.64761 0.65009 0.65398 0.65684 0.65888 0.66362 0.66447 0.66604 0.67537 0.67952 0.68040 0.68714 0.68929 0.69333 0.69410 0.70067 0.70433 0.70839 0.71397 0.71664 0.71936 0.72531 0.72866 0.73375 0.73571 0.73808 0.74800 0.75012 0.75390 0.75642 0.76249 0.76660 0.76911 0.77331 0.77524 0.77787 0.78694 0.78788 0.79475 0.79844 0.80518 0.81026 0.81340 0.81669 0.81988 0.82540 0.82882 0.83121 0.83332 0.83668 0.84992 0.85588 0.85886 0.86174 0.87077 0.87681 0.87801 0.88676 0.88889 0.89724 0.89940 0.91209 0.91771 0.92018 0.93351 0.93687 0.93974 0.94403 0.95169 0.95265 0.95789 0.96781 0.97252 0.97694 0.98331 0.99006 0.99180 1.00036 1.00384 1.00700 1.01513 1.01744 1.02259 1.03278 1.03398 1.03724 1.04509 1.04771 1.05734 1.06637 1.07025 1.07273 1.07515 1.08695 1.09004 1.09437 1.09941 1.10225 1.10544 1.11049 1.11377 1.12223 1.12664 1.12998 1.13173 1.13986 1.14382 1.14728 1.14880 1.15551 1.15981 1.16496 1.17023 1.17493 1.17941 1.18073 1.18842 1.19053 1.19298 1.19878 1.20285 1.20467 1.21374 1.21688 1.22350 1.22516 1.23512 1.23753 1.24159 1.24453 1.25047 1.25371 1.25638 1.25891 1.26483 1.26859 1.27282 1.27795 1.27887 1.27982 1.28656 1.29431 1.29954 1.30583 1.30994 1.31413 1.31592 1.32289 1.32536 1.33248 1.33363 1.33978 1.34640 1.34890 1.35065 1.35653 1.36067 1.36438 1.36947 1.37554 1.38309 1.38454 1.39247 1.39276 1.39896 1.40152 1.40889 1.41553 1.42080 1.42484 1.42680 1.43603 1.44217 1.44467 1.44906 1.44984 1.45366 1.45858 1.46612 1.47087 1.47543 1.47862 1.48408 1.48560 1.49253 1.49530 1.49706 1.50052 1.50617 1.50993 1.51640 1.51932 1.52704 1.52798 1.53439 1.53588 1.53819 1.54553 1.55101 1.55301 1.55891 1.57051 1.57353 1.58014 1.58593 1.59451 1.59840 1.60202 1.61148 1.61584 1.61956 1.62248 1.63085 1.63178 1.63672 1.64417 1.65364 1.66521 1.66750 1.66913 1.68703 1.68878 1.69542 1.70161 1.70996 1.71284 1.73057 1.73595 1.74287 1.75059 1.75378 1.75794 1.77106 1.78182 1.78855 1.80381 1.80686 1.81276 1.81992 1.82701 1.83323 1.84257 1.85499 1.86108 1.86909 1.87803 1.87922 1.88715 1.89694 1.90768 1.91252 1.91819 1.92512 1.92731 1.94025 1.94529 1.96667 1.97126 1.97548 1.97788 1.98421 1.99288 1.99866 2.01306 2.01817 2.02192 2.02740 2.03151 2.04092 2.04500 2.04844 2.05982 2.07668 2.08457 2.08687 2.09188 2.09737 2.10548 2.11008 2.12015 2.12137 2.13111 2.13699 2.15304 2.15560 2.15911 2.16947 2.18107 2.18457 2.19824 2.20509 2.21251 2.22837 2.23705 2.26126 2.26907 2.27326 2.28772 2.29045 2.30126 2.32422 2.33567 2.33706 2.34829 2.36189 2.36854 2.39798 2.39921 2.41495 2.42351 2.43025 2.44618 2.45068 2.45618 2.46773 2.47394 2.48906 2.50447 2.51900 2.53274 2.54852 2.56480 2.57425 2.58881 2.59130 2.60510 2.64535 2.65197 2.66085 2.66852 2.67538 2.68031 2.69704 2.71129 2.71329 2.72313 2.73354 2.74150 2.74685 2.76704 2.77614 2.78124 2.79075 2.80389 2.80578 2.81575 2.81937 2.82660 2.84236 2.84816 2.85315 2.85611 2.86428 2.86976 2.87667 2.88108 2.88647 2.89434 2.89952 2.90743 2.91155 2.91440 2.92218 2.93072 2.93307 2.93931 2.94409 2.95042 2.95250 2.95965 2.96169 2.96725 2.97191 2.97590 2.98024 2.98785 2.99085 2.99667 3.01092 3.01143 3.02791 3.03110 3.03875 3.04607 3.05788 3.06739 3.06999 3.07352 3.08052 3.09251 3.10168 3.10334 3.10410 3.11108 3.11738 3.12387 3.12771 3.12975 3.14686 3.15777 3.16619 3.17846 3.18177 3.18942 3.19490 3.19896 3.19963 3.20741 3.21705 3.22360 3.22411 3.23678 3.24088 3.24291 3.25725 3.25852 3.26869 3.27460 3.27900 3.28387 3.29293 3.29635 3.30208 3.30538 3.30865 3.31194 3.31985 3.32397 3.33069 3.33423 3.33937 3.34631 3.35369 3.35861 3.36130 3.37288 3.38541 3.39101 3.39728 3.40663 3.41278 3.41733 3.42645 3.43033 3.43511 3.43986 3.44404 3.45954 3.46444 3.46735 3.47130 3.48087 3.48903 3.49142 3.49417 3.50692 3.51537 3.52429 3.54657 3.55192 3.55694 3.56588 3.57737 3.58761 3.59243 3.60177 3.60442 3.61171 3.61516 3.62751 3.63266 3.64484 3.65449 3.66618 3.68029 3.69227 3.69994 3.71361 3.72299 3.73303 3.74030 3.75293 3.76454 3.76944 3.78537 3.78868 3.80203 3.80674 3.81901 3.82770 3.83630 3.84297 3.85266 3.85876 3.87062 3.87300 3.88210 3.89693 3.90783 3.92107 3.92799 3.93628 3.94111 3.95174 3.96491 3.97786 3.98205 3.99641 4.00263 4.01242 4.02530 4.03486 4.04515 4.05926 4.07103 4.08378 4.11524 4.14419 4.15422 4.15576 4.16467 4.17833 4.19996 4.21122 4.22431 4.23898 4.24246 4.25688 4.26966 4.27519 4.28350 4.29001 4.30611 4.30774 4.31193 4.31856 4.32741 4.32882 4.33989 4.34487 4.34789 4.34842 4.35603 4.35769 4.36502 4.37483 4.37764 4.38327 4.39125 4.39582 4.40180 4.40425 4.41598 4.42420 4.43658 4.44987 4.45713 4.46476 4.47221 4.48180 4.48443 4.49888 4.50301 4.50466 4.51125 4.51599 4.53268 4.53501 4.54097 4.56052 4.56607 4.57068 4.57876 4.58692 4.59912 4.60334 4.60746 4.61143 4.61701 4.62021 4.62636 4.63495 4.64842 4.66823 4.67394 4.67947 4.68651 4.69584 4.71445 4.72172 4.73137 4.73466 4.74880 4.75605 4.78069 4.78448 4.79067 4.79962 4.81491 4.81899 4.84380 4.86179 4.86634 4.88521 4.90492 4.94259 4.94638 4.95873 4.97507 5.00089 5.00405 5.02846 5.03666 5.05559 5.08185 5.08852 5.09966 5.13126 5.24687 5.26326 5.33147 5.36845 5.42030 5.46784 5.47638 5.48055 5.50863 5.54146 5.66251 5.67086 5.78660 5.79338 5.80284 5.81154 5.81594 5.82215 5.83676 5.84571 5.85083 5.87446 5.89029 5.89906 5.90550 5.92330 5.93213 5.94469 5.95260 5.97169 6.01260 6.02400 6.07838 6.12871 6.15952 6.19925 6.24017 6.46811 6.55911 6.60588 7.07352 7.08731 7.11829 7.13103 7.16740 7.17215 7.17523 7.17618 7.19066 7.21360 7.23174 7.23720 7.24650 7.27015 7.27343 7.27778 7.27847 7.29609 7.30141 7.31063 7.32237 7.32649 7.33104 7.34199 7.35258 7.35689 7.35960 7.37195 7.38435 7.41892 7.42764 7.45106 7.46750 7.47325 7.48390 7.49481 7.50289 7.50872 7.52693 7.54086 7.55155 7.55762 7.57452 7.58883 7.60503 7.61092 7.62426 7.62703 7.64264 7.65462 7.67623 7.68580 7.69031 7.70073 7.71863 7.74555 7.75735 7.80428 7.82411 7.83883 7.87360 7.88178 7.88738 7.91040 7.92681 7.93654 7.93965 7.95043 7.96249 7.98125 7.99145 8.00618 8.01962 8.03021 8.03264 8.04193 8.06000 8.10640 8.15103 8.15235 8.18530 8.19861 8.22377 8.23849 8.24849 8.27843 8.29199 8.33388 8.36578 8.36738 8.37261 8.44275 8.44953 8.46907 8.48365 8.50018 8.51708 8.55281 8.66395 8.73061 8.74268 8.75134 9.04151 9.32899 9.43964 10.62790 10.68481 10.75780 11.31160 11.36346 23.97446 24.11870 24.36270 24.39503 24.39848 24.41085 24.41827 24.46402 24.48120 24.72974 24.75662 24.84899 24.95550 25.11425 25.27643 25.42730 25.46951 25.69558 25.77303 25.81866 27.14843 36.01767 1-A. Mulliken charges: 1 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 N C C C C C C C C C C C C C C C C C C C C C H H H H H H H H H H H H H H H H H H H H H H H H H -0.743061 -0.213340 0.331431 0.675154 0.729141 -0.573810 -0.072327 -0.223535 -0.702997 -0.157645 -0.394684 -0.302615 -0.201180 -0.422174 -0.473975 -0.405380 -0.322141 -0.558345 -0.392779 0.095690 0.169632 0.229567 0.153609 0.174296 0.141968 0.169439 0.146942 0.163361 0.148199 0.152196 0.142037 0.158552 0.155911 0.148870 0.161645 0.162621 0.153058 0.153907 0.188416 0.176880 0.160450 0.158988 0.153740 0.139583 0.155379 0.153405 0.155922 -0.00000 0.5524 0.4169 -0.6967 0.9820 -112.3487 -139.2725 -125.8359 -8.2418 -6.7626 -0.5155 13.4704 -13.4535 -0.0169 -8.2418 -6.7626 -0.5155 4.3695 -22.5191 1.0780 -7.2969 -11.5832 0.9877 7.0720 11.8414 -7.2741 7.7695 -5683.8872 -2392.9559 -1364.5754 -53.2349 -48.7231 -116.7177 -11.4796 -7.3942 -29.3052 -1383.3986 -1273.1242 -635.1346 9.0076 -15.9999 -25.3292 (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A) (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(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-CIBELES2-317 APULGAR 2022-12-09T00:00:00.000 0 Single Point terbinafine CONF22 water 0 1 Version=EM64L-G16RevC.01 State=1-A HF=-870.3087624 RMSD=6.882e-09 Dipole=-0.2162804,0.1590671,0.2778426 Quadrupole=9.6366174,-9.773882,0.1372646,6.5091891,-5.1520008,0.1630746 PG=C01 [X(C21H25N1)] 0 -3.4110690204 -1.5005126203 -0.1671167074 0 -3.4144352418 -0.0170363296 -0.1498529225 0 -2.1584067268 0.6303364866 -0.7011993862 0 -1.2118149389 1.3229255112 0.1225624166 0 -0.0357488979 1.8775395547 -0.4882127209 0 3.8492152387 -0.9284290789 -0.1942304657 0 -2.4197968326 -2.0775272455 0.7627417158 0 -1.9261925241 0.5472509208 -2.0606685775 0 -1.3464583742 1.4532499172 1.5331794939 0 -4.7504082814 -1.9661077046 0.2158289716 0 0.1599727397 1.7463943048 -1.8869475163 0 -0.7717764313 1.0962023807 -2.6592447384 0 0.9329249639 2.5310624568 0.3211058525 0 4.8565109757 -1.1001549971 0.9631118347 0 3.900592306 0.5263005071 -0.7141177773 0 4.2028715538 -1.9005213575 -1.3408100828 0 -1.001129524 -1.9458855485 0.2982537049 0 -0.3868486592 2.0857414702 2.2892748619 0 0.7664245573 2.633927604 1.6804798171 0 2.4901910586 -1.2165911425 0.2874693909 0 0.0162734913 -1.5969140546 1.0990778608 0 1.3564550843 -1.4273532642 0.6561178465 0 -3.6366683369 0.345049825 0.8622889408 0 -4.2526466442 0.29674644 -0.7765273289 0 -2.5270108926 -1.6577063092 1.7767842593 0 -2.6532160386 -3.1456540641 0.8384114558 0 -2.649369933 0.0373680485 -2.6881791631 0 -2.2089349293 1.0319526119 2.0314460519 0 -4.79102702 -3.0564207727 0.1739830736 0 -5.4942700354 -1.5690250801 -0.4779998048 0 -5.0308407629 -1.6505608372 1.2350800235 0 1.0567823736 2.1649274689 -2.3311997842 0 -0.6263769877 0.9990451122 -3.7293890706 0 1.816178603 2.9382048668 -0.1586249979 0 4.8420179936 -2.124334141 1.3450068719 0 4.624057249 -0.4201474453 1.7867991172 0 5.867055009 -0.8786694827 0.6075178978 0 4.9032734733 0.7438451667 -1.0940593194 0 3.1820145765 0.6786673791 -1.5233917613 0 3.6715740615 1.2337044321 0.0859229072 0 4.1708828036 -2.9378374508 -0.9974537418 0 3.5047843798 -1.7901377068 -2.1747070268 0 5.2123873137 -1.6881567392 -1.7048196016 0 -0.8118791627 -2.1602056279 -0.7496972379 0 -0.5129194458 2.1612426165 3.3637143712 0 1.5158512313 3.1275631233 2.2889507041 0 -0.1830200433 -1.3596743067 2.1419023303