Gaussian 16 GINC-HAMILTON09 APULGAR Optimization isopyrazam_anti CONF12 gas EM64L-G16RevC.01 15-Oct-2024 Gaussian 16 3-Jul-2019 EM64L-G16RevC.01 49 49 95 95 710 (5D, 7F) 6-311+G(d,p) 141 141 C1[X(C20H23F2N3O)] C1[X(C20H23F2N3O)] RB3LYP 6-311+G(d,p) FOpt #p opt freq b3lyp/6-311+g(d,p) empiricaldispersion=gd3 336.23030639999973 0 1 AuxInfo=1/0/N:7;8;9;10;11;12;13;14;15;16;17;18;19;20;21;22;23;24;25;26;1;2;4;5;6;3;27;28;29;30;31;32;33;34;35;36;37;38;39;40;41;42;43;44;45;46;47;48;49/rA:49nF0F0O0N0N0N0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:2.3644,.0491,2.5977;3.0836,1.9489,1.7507;.7933,-.35,-1.7959;.8183,1.1365,-.0468;4.7425,-1.1778,-.8189;4.8157,-.6328,.4088;-3.154,-.7523,.5405;-1.8112,-.6648,-.2525;-3.8813,.2545,-.4062;-2.2684,-1.0584,-1.6934;-3.6908,-.4269,-1.7992;-1.6193,.835,-.2633;-2.9014,1.4059,-.3547;-3.7815,-2.1419,.7246;-.4985,1.6523,-.1957;-3.0851,2.7785,-.3786;-5.1582,-2.0302,1.396;-2.8543,-3.0503,1.5455;-.6799,3.0455,-.2021;-1.9533,3.5993,-.2895;1.3777,.1753,-.8454;2.7751,-.2246,-.5161;3.634,-.0518,.6048;3.5425,-.9615,-1.4015;3.4189,.6089,1.9199;5.8796,-1.9037,-1.3679;-3.0313,-.305,1.5346;-.969,-1.2388,.1245;-4.9109,.5146,-.1628;-2.304,-2.1458,-1.7946;-1.5665,-.6801,-2.4328;-3.7692,.3004,-2.609;-4.4603,-1.1856,-1.9624;-3.9254,-2.6112,-.2541;-4.0777,3.2106,-.4444;-5.8558,-1.4406,.7957;-5.6017,-3.0189,1.5462;-5.0726,-1.5504,2.3773;-2.6564,-2.613,2.5304;-3.3087,-4.0331,1.7023;-1.893,-3.2029,1.0488;.1899,3.6909,-.1398;-2.0646,4.6778,-.2876;1.4232,1.6419,.5842;3.2887,-1.3281,-2.3827;4.3076,.5637,2.5494;6.674,-1.8782,-.6257;5.6026,-2.9394,-1.5722;6.223,-1.4272,-2.2879; g16 /usr/local/gaussian/gaussian16/g16/l1.exe "/temporal/apulgar/opt-b3lyp-pople.com-6503130/Gau-4007727.inp" -scrdir="/temporal/apulgar/opt-b3lyp-pople.com-6503130/" chk=opt-b3lyp-pople.chk #p opt freq b3lyp/6-311+g(d,p) empiricaldispersion=gd3 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=1,71=1,74=-5,124=31/1,2,3 4//1 5/5=2,38=5/2 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=1,71=1,74=-5,124=31/1,2,3 4/5=5,16=3,69=1/1 5/5=2,38=5/2 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 isopyrazam_anti CONF12 gas 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 19 19 16 14 14 14 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 18.9984033 18.9984033 15.9949146 14.0030740 14.0030740 14.0030740 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 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 1 0 2 2 2 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 -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 -0.0000000 -0.0000000 (Enter /usr/local/gaussian/gaussian16/g16/l101.exe) Berny optimization. R1 R2 R3 R4 R5 R6 R7 R8 R9 R10 R11 R12 R13 R14 R15 R16 R17 R18 R19 R20 R21 R22 R23 R24 R25 R26 R27 R28 R29 R30 R31 R32 R33 R34 R35 R36 R37 R38 R39 R40 R41 R42 R43 R44 R45 R46 R47 R48 R49 R50 R51 R52 1 2 3 4 4 4 5 5 5 6 7 7 7 7 8 8 8 9 9 9 10 10 10 11 11 12 12 13 14 14 14 15 16 16 17 17 17 18 18 18 19 19 20 21 22 22 23 24 25 26 26 26 25 25 21 15 21 44 6 24 26 23 8 9 14 27 10 12 28 11 13 29 11 30 31 32 33 13 15 16 17 18 34 19 20 35 36 37 38 39 40 41 20 42 43 22 23 24 25 45 46 47 48 49 1.3729 1.3917 1.2333 1.422 1.3691 1.0097 1.3452 1.3514 1.4565 1.3313 1.5619 1.5617 1.5357 1.097 1.5622 1.512 1.0867 1.5623 1.5128 1.0895 1.5599 1.0926 1.0874 1.0913 1.0929 1.4065 1.3888 1.385 1.5358 1.5358 1.095 1.405 1.4009 1.0846 1.093 1.094 1.0956 1.0956 1.0941 1.0927 1.3913 1.0849 1.0842 1.4903 1.4226 1.3841 1.4874 1.0778 1.09 1.0874 1.0915 1.0914 estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2 A1 A2 A3 A4 A5 A6 A7 A8 A9 A10 A11 A12 A13 A14 A15 A16 A17 A18 A19 A20 A21 A22 A23 A24 A25 A26 A27 A28 A29 A30 A31 A32 A33 A34 A35 A36 A37 A38 A39 A40 A41 A42 A43 A44 A45 A46 A47 A48 A49 A50 A51 A52 A53 A54 A55 A56 A57 A58 A59 A60 A61 A62 A63 A64 A65 A66 A67 A68 A69 A70 A71 A72 A73 A74 A75 A76 A77 A78 A79 A80 A81 A82 A83 A84 A85 A86 A87 A88 A89 A90 A91 A92 A93 A94 A95 A96 A97 15 15 21 6 6 24 5 8 8 8 9 9 14 7 7 7 10 10 12 7 7 7 11 11 13 8 8 8 11 11 30 9 9 9 10 10 32 8 8 13 9 9 12 7 7 7 17 17 18 4 4 12 13 13 20 14 14 14 36 36 37 14 14 14 39 39 40 15 15 20 16 16 19 3 3 4 21 21 23 6 6 22 5 5 22 1 1 1 2 2 23 5 5 5 47 47 48 4 4 4 5 5 5 6 7 7 7 7 7 7 8 8 8 8 8 8 9 9 9 9 9 9 10 10 10 10 10 10 11 11 11 11 11 11 12 12 12 13 13 13 14 14 14 14 14 14 15 15 15 16 16 16 17 17 17 17 17 17 18 18 18 18 18 18 19 19 19 20 20 20 21 21 21 22 22 22 23 23 23 24 24 24 25 25 25 25 25 25 26 26 26 26 26 26 21 44 44 24 26 26 23 9 14 27 14 27 27 10 12 28 12 28 28 11 13 29 13 29 29 11 30 31 30 31 31 10 32 33 32 33 33 13 15 15 12 16 16 17 18 34 18 34 34 12 19 19 20 35 35 36 37 38 37 38 38 39 40 41 40 41 41 20 42 42 19 43 43 4 22 22 23 24 24 22 25 25 22 45 45 2 23 46 23 46 46 47 48 49 48 49 49 124.8859 116.0157 118.1064 112.1406 120.2289 127.6301 105.2409 93.2384 117.572 109.9409 117.7581 109.7877 107.8176 101.6869 99.6935 117.4243 106.2883 114.4393 115.341 101.6841 99.6921 117.2926 106.4605 114.7425 115.0164 103.1413 110.2237 110.5231 111.5277 113.6825 107.717 103.1399 111.2362 110.4946 112.6824 111.7815 107.5321 106.7002 133.3022 119.9962 106.4851 131.8936 121.621 110.6634 110.6447 109.5325 110.5203 107.7048 107.6768 122.6083 118.6727 118.6272 118.1904 121.1458 120.6529 111.7904 110.9586 110.6925 107.7092 107.7972 107.7247 110.7006 110.9246 111.7597 107.7468 107.7846 107.7597 120.8771 119.0829 120.0398 120.6757 120.0021 119.3222 123.7074 120.0198 116.2721 135.0376 121.4254 103.5278 111.5238 116.8962 131.5505 107.5658 123.1675 129.2662 105.5171 111.4984 108.9171 110.7995 107.8568 111.9809 107.5386 110.1996 110.2264 109.5956 109.591 109.6585 estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2 D1 D2 D3 D4 D5 D6 D7 D8 D9 D10 D11 D12 D13 D14 D15 D16 D17 D18 D19 D20 D21 D22 D23 D24 D25 D26 D27 D28 D29 D30 D31 D32 D33 D34 D35 D36 D37 D38 D39 D40 D41 D42 D43 D44 D45 D46 D47 D48 D49 D50 D51 D52 D53 D54 D55 D56 D57 D58 D59 D60 D61 D62 D63 D64 D65 D66 D67 D68 D69 D70 D71 D72 D73 D74 D75 D76 D77 D78 D79 D80 D81 D82 D83 D84 D85 D86 D87 D88 D89 D90 D91 D92 D93 D94 D95 D96 D97 D98 D99 D100 D101 D102 D103 D104 D105 D106 D107 D108 D109 D110 D111 D112 D113 D114 D115 D116 D117 D118 D119 D120 D121 D122 D123 D124 D125 D126 D127 D128 D129 D130 D131 D132 D133 D134 D135 D136 D137 D138 D139 D140 D141 D142 D143 D144 D145 D146 D147 D148 21 21 44 44 15 15 44 44 24 26 6 6 26 26 6 6 6 24 24 24 5 5 9 9 9 14 14 14 27 27 27 8 8 8 14 14 14 27 27 27 8 8 8 9 9 9 27 27 27 7 7 7 12 12 12 28 28 28 7 7 10 10 28 28 7 7 7 13 13 13 29 29 29 7 7 11 11 29 29 8 8 8 30 30 30 31 31 31 8 8 15 15 8 8 13 13 9 9 12 12 7 7 7 18 18 18 34 34 34 7 7 7 17 17 17 34 34 34 4 4 12 12 13 13 35 35 15 15 42 42 3 3 4 4 21 21 24 24 21 21 23 23 6 6 6 22 22 22 4 4 4 4 4 4 4 4 5 5 5 5 5 5 5 5 5 5 5 5 6 6 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 10 10 10 10 10 10 10 10 10 12 12 12 12 12 12 12 12 13 13 13 13 14 14 14 14 14 14 14 14 14 14 14 14 14 14 14 14 14 14 15 15 15 15 16 16 16 16 19 19 19 19 21 21 21 21 22 22 22 22 22 22 22 22 23 23 23 23 23 23 15 15 15 15 21 21 21 21 6 6 24 24 24 24 26 26 26 26 26 26 23 23 8 8 8 8 8 8 8 8 8 9 9 9 9 9 9 9 9 9 14 14 14 14 14 14 14 14 14 10 10 10 10 10 10 10 10 10 12 12 12 12 12 12 11 11 11 11 11 11 11 11 11 13 13 13 13 13 13 11 11 11 11 11 11 11 11 11 13 13 13 13 15 15 15 15 16 16 16 16 17 17 17 17 17 17 17 17 17 18 18 18 18 18 18 18 18 18 19 19 19 19 20 20 20 20 20 20 20 20 22 22 22 22 23 23 23 23 24 24 24 24 25 25 25 25 25 25 12 19 12 19 3 22 3 22 23 23 22 45 22 45 47 48 49 47 48 49 22 25 10 12 28 10 12 28 10 12 28 11 13 29 11 13 29 11 13 29 17 18 34 17 18 34 17 18 34 11 30 31 11 30 31 11 30 31 13 15 13 15 13 15 10 32 33 10 32 33 10 32 33 12 16 12 16 12 16 9 32 33 9 32 33 9 32 33 9 16 9 16 4 19 4 19 20 35 20 35 36 37 38 36 37 38 36 37 38 39 40 41 39 40 41 39 40 41 20 42 20 42 19 43 19 43 16 43 16 43 23 24 23 24 6 25 6 25 5 45 5 45 1 2 46 1 2 46 52.5664 -130.9678 -139.0893 37.3765 0.2882 179.9984 -167.8336 11.8767 -0.2911 179.9209 0.3562 -179.4278 -179.8751 0.3409 -0.2424 119.1677 -119.6623 -179.9944 -60.5844 60.5857 0.1147 178.3678 -56.1604 52.8591 178.156 67.6052 176.6247 -58.0784 -168.5704 -59.5509 65.746 56.162 -53.0376 -177.8482 -67.4573 -176.6569 58.5325 168.7057 59.5061 -65.3045 -174.2374 62.9126 -55.6395 -63.9435 173.2066 54.6544 60.8758 -61.9741 179.4738 35.8554 -83.3265 157.7137 -68.0059 172.8121 53.8523 163.4896 44.3076 -74.6522 -34.6854 144.8596 70.6222 -109.8328 -161.4042 18.1408 -35.8689 -156.9034 83.738 68.0392 -52.9953 -172.3539 -163.5215 75.444 -43.9145 35.0915 -144.6803 -70.2571 109.9711 161.464 -18.3078 0.0058 120.052 -118.7094 118.2805 -121.6734 -0.4347 -119.6981 0.348 121.5867 -0.2464 179.5541 -179.8641 -0.0636 -2.1552 -178.6226 177.3416 0.8742 178.8434 0.0391 -0.8996 -179.7039 60.7776 -178.9619 -59.4125 -176.3002 -56.0398 63.5097 -58.9245 61.336 -179.1146 58.9284 178.4887 -61.2307 -64.0047 55.5556 175.8362 178.6023 -61.8374 58.4432 -177.3316 2.7983 -0.7231 179.4068 1.0503 -178.9106 179.8607 -0.1001 -0.2498 179.7113 179.6191 -0.4198 -165.0267 13.6725 15.2517 -166.0491 178.9485 1.0305 0.0902 -177.8278 -179.3132 0.4532 -0.2586 179.5078 -119.6709 123.1231 2.6554 58.1574 -59.0487 -179.5164 estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|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 736 A 710 A 1120 736 2397.8929899429 49 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= 710 RedAO= T EigKep= 1.12D-06 NBF= 710 NBsUse= 706 1.00D-06 EigRej= 5.19D-07 NBFU= 706 Berny optimization. local minimum Step number 6 out of a maximum of 294 All quantities printed in internal units (Hartrees-Bohrs-Radians) 0.00289 0.00292 0.00293 0.00428 0.00633 0.00916 0.00965 0.01311 0.01454 0.01480 0.01548 0.01582 0.01663 0.01678 0.01809 0.01833 0.02007 0.02062 0.02090 0.02123 0.02143 0.02174 0.02202 0.02251 0.02299 0.02319 0.02321 0.02919 0.03316 0.03498 0.03600 0.04150 0.04241 0.04435 0.04648 0.04700 0.04826 0.05060 0.05154 0.05389 0.05394 0.05504 0.05506 0.05551 0.06752 0.06766 0.06929 0.07427 0.07503 0.07589 0.07816 0.08895 0.09325 0.09657 0.10566 0.11500 0.12112 0.15038 0.15951 0.15996 0.15999 0.16000 0.16000 0.16000 0.16000 0.16000 0.16000 0.16000 0.16000 0.16000 0.16001 0.16027 0.16587 0.16617 0.18036 0.20767 0.21863 0.22104 0.22827 0.23119 0.23297 0.23513 0.23695 0.24104 0.24643 0.24884 0.24929 0.24987 0.24999 0.25003 0.25595 0.26648 0.28419 0.28881 0.28893 0.28898 0.29816 0.30562 0.33487 0.34014 0.34173 0.34178 0.34243 0.34348 0.34352 0.34467 0.34474 0.34501 0.34507 0.34567 0.34642 0.34646 0.34665 0.34816 0.34869 0.35109 0.35185 0.35402 0.35444 0.35490 0.35868 0.36291 0.37145 0.37511 0.39477 0.42067 0.43048 0.43633 0.45111 0.45593 0.46154 0.46794 0.47420 0.47594 0.48920 0.50470 0.51350 0.54048 0.55359 0.58020 0.78406 -1.80625907e-07 R1 R2 R3 R4 R5 R6 R7 R8 R9 R10 R11 R12 R13 R14 R15 R16 R17 R18 R19 R20 R21 R22 R23 R24 R25 R26 R27 R28 R29 R30 R31 R32 R33 R34 R35 R36 R37 R38 R39 R40 R41 R42 R43 R44 R45 R46 R47 R48 R49 R50 R51 R52 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 A86 A87 A88 A89 A90 A91 A92 A93 A94 A95 A96 A97 D1 D2 D3 D4 D5 D6 D7 D8 D9 D10 D11 D12 D13 D14 D15 D16 D17 D18 D19 D20 D21 D22 D23 D24 D25 D26 D27 D28 D29 D30 D31 D32 D33 D34 D35 D36 D37 D38 D39 D40 D41 D42 D43 D44 D45 D46 D47 D48 D49 D50 D51 D52 D53 D54 D55 D56 D57 D58 D59 D60 D61 D62 D63 D64 D65 D66 D67 D68 D69 D70 D71 D72 D73 D74 D75 D76 D77 D78 D79 D80 D81 D82 D83 D84 D85 D86 D87 D88 D89 D90 D91 D92 D93 D94 D95 D96 D97 D98 D99 D100 D101 D102 D103 D104 D105 D106 D107 D108 D109 D110 D111 D112 D113 D114 D115 D116 D117 D118 D119 D120 D121 D122 D123 D124 D125 D126 D127 D128 D129 D130 D131 D132 D133 D134 D135 D136 D137 D138 D139 D140 D141 D142 D143 D144 D145 D146 D147 D148 2.59443 2.62987 2.31286 2.68744 2.58353 1.90818 2.54227 2.55349 2.75242 2.51563 2.95156 2.95122 2.90212 2.07306 2.95216 2.85737 2.05349 2.95224 2.85876 2.05887 2.94785 2.06475 2.05475 2.06223 2.06534 2.65791 2.62472 2.61732 2.90222 2.90230 2.06921 2.65496 2.64726 2.04959 2.06544 2.06740 2.07039 2.07030 2.06747 2.06491 2.62916 2.05025 2.04885 2.81443 2.68839 2.61569 2.81083 2.03678 2.05974 2.05497 2.06254 2.06253 2.17997 2.02487 2.06112 1.95718 2.09845 2.22755 1.83699 1.62734 2.05191 1.91884 2.05536 1.91614 1.88177 1.77481 1.73996 2.04946 1.85501 1.99734 2.01310 1.77466 1.73995 2.04715 1.85819 2.00263 2.00738 1.80017 1.92386 1.92890 1.94656 1.98411 1.87999 1.80013 1.94152 1.92839 1.96672 1.95092 1.87680 1.86219 2.32674 2.09423 1.85858 2.30191 2.12268 1.93157 1.93098 1.91170 1.92894 1.87984 1.87928 2.14018 2.07094 2.07046 2.06287 2.11437 2.10576 1.95112 1.93658 1.93196 1.87987 1.88143 1.88014 1.93209 1.93601 1.95056 1.88054 1.88118 1.88077 2.10971 2.07839 2.09508 2.10621 2.09443 2.08255 2.15828 2.09434 2.03055 2.35667 2.11924 1.80711 1.94621 2.04033 2.29613 1.87727 2.14977 2.25614 1.84160 1.94601 1.90095 1.93385 1.88244 1.95445 1.87689 1.92328 1.92389 1.91282 1.91271 1.91390 0.91714 -2.28604 -2.42744 0.65257 0.00545 3.14151 -2.92930 0.20675 -0.00504 3.13979 0.00618 -3.13162 -3.13894 0.00645 -0.00094 2.08313 -2.08523 -3.13875 -1.05468 1.06015 0.00197 3.11293 -0.98003 0.92264 3.10951 1.18016 3.08284 -1.01348 -2.94195 -1.03927 1.14760 0.98034 -0.92564 -3.10396 -1.17715 -3.08313 1.02174 2.94462 1.03864 -1.13968 -3.03830 1.10075 -0.96824 -1.11329 3.02576 0.95676 1.06526 -1.07887 3.13531 0.62541 -1.45480 2.75218 -1.18728 3.01569 0.93948 2.85311 0.77290 -1.30331 -0.60550 2.52828 1.23248 -1.91692 -2.81719 0.31660 -0.62639 -2.73893 1.46106 1.18715 -0.92539 -3.00859 -2.85431 1.31634 -0.76686 0.61234 -2.52516 -1.22630 1.91939 2.81794 -0.31955 0.00054 2.09586 -2.07129 2.06496 -2.12291 -0.00688 -2.08858 0.00674 2.12277 -0.00413 3.13388 -3.13917 -0.00116 -0.03768 -3.11771 3.09527 0.01525 3.12134 0.00059 -0.01565 -3.13639 1.06204 -3.12222 -1.03570 -3.07582 -0.97690 1.10962 -1.02725 1.07168 -3.12499 1.02973 3.11646 -1.06742 -1.11593 0.97080 3.07010 3.11833 -1.07812 1.02118 -3.09507 0.04877 -0.01257 3.13128 0.01832 -3.12258 3.13917 -0.00173 -0.00440 3.13651 3.13492 -0.00736 -2.88004 0.23868 0.26687 -2.89759 3.12311 0.01802 0.00159 -3.10350 -3.12947 0.00802 -0.00450 3.13299 -2.08875 2.14882 0.04624 1.01476 -1.03086 -3.13344 -0.00000 -0.00001 -0.00001 -0.00000 0.00002 0.00001 -0.00001 0.00002 -0.00001 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 0.00002 -0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00003 -0.00004 -0.00002 -0.00001 -0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00003 0.00000 -0.00003 0.00001 -0.00001 0.00000 -0.00002 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00001 0.00001 -0.00000 0.00000 -0.00001 0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00003 -0.00002 -0.00001 0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 0.00001 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00004 0.00001 -0.00005 -0.00003 0.00003 0.00001 0.00002 0.00002 -0.00004 -0.00001 0.00001 0.00001 0.00001 -0.00001 0.00001 -0.00002 0.00001 -0.00000 0.00000 -0.00001 0.00000 0.00000 -0.00000 0.00000 0.00001 0.00000 0.00001 0.00000 -0.00001 0.00001 -0.00001 0.00001 -0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 0.00001 0.00001 0.00001 0.00001 0.00001 0.00001 -0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00001 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00001 0.00001 -0.00001 -0.00001 0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 0.00001 -0.00000 0.00064 -0.00001 0.00048 -0.00003 -0.00002 0.00001 -0.00000 0.00002 -0.00001 -0.00000 0.00000 -0.00000 0.00002 0.00001 0.00001 -0.00001 0.00000 -0.00000 -0.00000 0.00000 0.00001 -0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00001 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00001 -0.00000 0.00000 0.00051 0.00003 -0.00001 0.00002 0.00001 0.00000 -0.00000 0.00000 0.00000 -0.00006 -0.00007 0.00013 -0.00003 0.00001 0.00001 0.00000 0.00000 -0.00000 -0.00000 0.00001 -0.00000 0.00000 -0.00001 -0.00001 -0.00003 0.00002 0.00002 0.00000 -0.00000 0.00001 -0.00001 0.00000 -0.00001 0.00001 -0.00000 0.00002 0.00002 -0.00001 -0.00002 -0.00001 -0.00000 0.00000 -0.00000 0.00000 -0.00001 0.00000 -0.00001 -0.00002 0.00003 0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00001 0.00003 -0.00004 -0.00001 0.00000 0.00001 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00002 -0.00002 -0.00000 0.00000 -0.00001 0.00000 0.00024 0.00016 -0.00040 0.00014 -0.00009 -0.00005 0.00002 -0.00007 0.00005 0.00005 -0.00006 0.00001 0.00000 0.00002 -0.00002 0.00004 -0.00004 -0.00001 -0.00000 0.00000 0.00002 -0.00000 -0.00001 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00025 0.00025 -0.00023 0.00027 0.00001 -0.00001 0.00005 0.00000 0.00008 0.00003 0.00024 0.00024 0.00024 0.00021 0.00021 0.00021 -0.00007 -0.00009 -0.00000 0.00002 0.00000 0.00001 0.00003 0.00001 0.00000 0.00003 0.00001 0.00002 0.00001 -0.00000 0.00002 0.00001 -0.00000 0.00001 0.00001 -0.00001 0.00003 0.00003 0.00003 0.00003 0.00003 0.00003 0.00004 0.00004 0.00004 -0.00001 -0.00001 -0.00003 -0.00001 -0.00000 -0.00002 -0.00004 -0.00004 -0.00006 -0.00005 -0.00003 -0.00005 -0.00003 -0.00001 0.00001 -0.00001 -0.00002 -0.00002 -0.00001 -0.00001 -0.00002 0.00000 -0.00000 -0.00001 -0.00005 -0.00002 -0.00005 -0.00002 -0.00004 -0.00002 0.00001 0.00002 0.00002 0.00003 0.00004 0.00004 0.00000 0.00001 0.00001 0.00006 0.00004 0.00004 0.00002 -0.00003 -0.00003 -0.00001 -0.00001 -0.00005 -0.00001 -0.00002 0.00002 0.00003 0.00003 0.00003 0.00003 0.00003 0.00003 0.00003 0.00003 0.00003 0.00003 0.00003 0.00003 0.00003 0.00003 0.00003 0.00003 0.00003 0.00003 -0.00000 -0.00002 -0.00000 -0.00002 0.00001 0.00004 -0.00003 0.00001 0.00000 -0.00003 0.00002 -0.00001 0.00058 0.00042 0.00010 -0.00006 -0.00004 -0.00002 0.00010 0.00013 0.00003 0.00008 -0.00009 -0.00004 -0.00009 -0.00014 -0.00011 -0.00011 -0.00016 -0.00013 -0.00001 -0.00000 -0.00066 0.00000 -0.00041 0.00003 0.00002 -0.00000 -0.00000 -0.00002 0.00001 -0.00000 -0.00000 0.00000 -0.00002 0.00000 -0.00001 0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00001 0.00000 0.00000 0.00000 0.00001 0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00001 0.00000 -0.00000 -0.00045 -0.00006 -0.00001 -0.00003 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00008 0.00010 -0.00018 0.00003 -0.00002 -0.00001 -0.00001 -0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00001 0.00001 -0.00002 -0.00001 0.00000 -0.00000 -0.00001 0.00000 0.00001 0.00001 -0.00001 0.00000 -0.00002 -0.00001 0.00001 0.00001 0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00002 -0.00002 0.00000 -0.00000 0.00000 0.00001 -0.00001 -0.00000 -0.00000 0.00000 -0.00000 0.00002 -0.00004 0.00002 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 -0.00001 0.00001 -0.00001 -0.00000 0.00001 -0.00000 -0.00018 -0.00009 0.00026 -0.00015 0.00008 0.00007 -0.00002 0.00009 -0.00007 -0.00007 0.00005 0.00002 -0.00000 -0.00003 0.00003 -0.00006 0.00006 0.00001 0.00001 -0.00002 -0.00000 0.00000 0.00000 0.00000 0.00013 0.00007 0.00005 -0.00001 -0.00000 -0.00003 0.00005 0.00002 0.00000 -0.00006 -0.00005 -0.00002 0.00001 0.00004 0.00026 0.00026 0.00026 0.00019 0.00019 0.00019 0.00005 0.00010 -0.00000 -0.00002 0.00000 -0.00001 -0.00002 0.00000 -0.00001 -0.00002 -0.00000 -0.00000 -0.00001 0.00001 0.00000 -0.00001 0.00001 0.00000 -0.00001 0.00001 0.00000 -0.00000 0.00001 -0.00000 -0.00000 0.00001 -0.00000 -0.00000 0.00001 0.00000 -0.00000 0.00001 -0.00000 -0.00001 0.00001 0.00001 0.00001 0.00002 0.00005 -0.00003 0.00005 -0.00003 0.00003 -0.00006 0.00000 0.00000 0.00001 -0.00000 -0.00000 -0.00000 -0.00001 -0.00000 -0.00000 0.00005 0.00004 0.00005 0.00004 0.00004 0.00003 -0.00001 -0.00000 -0.00000 -0.00002 -0.00002 -0.00002 0.00000 0.00000 0.00000 -0.00006 -0.00005 0.00001 0.00001 0.00003 0.00009 -0.00006 0.00000 -0.00000 -0.00001 -0.00001 -0.00002 0.00002 0.00002 0.00002 0.00002 0.00002 0.00001 0.00001 0.00001 0.00001 0.00002 0.00002 0.00002 0.00001 0.00001 0.00001 0.00001 0.00001 0.00001 0.00003 0.00005 -0.00003 -0.00001 -0.00001 -0.00002 -0.00000 -0.00001 0.00003 0.00004 0.00001 0.00002 -0.00022 -0.00005 -0.00020 -0.00003 0.00007 0.00001 -0.00008 -0.00014 -0.00005 -0.00008 0.00007 0.00004 0.00006 0.00011 0.00008 0.00013 0.00018 0.00015 -0.00000 -0.00000 -0.00002 -0.00001 0.00008 -0.00000 -0.00000 0.00001 -0.00001 0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00001 -0.00000 -0.00001 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00002 -0.00000 0.00000 0.00000 0.00000 0.00001 -0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 0.00006 -0.00003 -0.00001 -0.00001 0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00002 0.00003 -0.00006 0.00001 -0.00001 0.00000 -0.00001 -0.00000 -0.00001 -0.00000 0.00001 0.00000 0.00000 -0.00001 0.00001 -0.00002 0.00001 0.00001 0.00001 -0.00000 -0.00000 -0.00000 0.00001 -0.00000 -0.00000 0.00000 0.00000 0.00001 0.00000 -0.00001 -0.00000 -0.00000 0.00001 -0.00001 0.00000 -0.00000 0.00000 -0.00001 0.00001 0.00001 0.00001 -0.00001 0.00000 0.00001 -0.00001 -0.00000 -0.00000 0.00000 -0.00000 0.00003 -0.00001 -0.00002 -0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00001 -0.00000 -0.00001 0.00000 0.00000 -0.00000 0.00007 0.00007 -0.00013 -0.00001 -0.00001 0.00002 0.00000 0.00002 -0.00002 -0.00002 -0.00001 0.00002 0.00000 -0.00001 0.00001 -0.00002 0.00002 -0.00001 0.00000 -0.00001 0.00001 0.00000 -0.00000 0.00000 0.00012 0.00006 0.00005 -0.00001 -0.00025 0.00022 -0.00018 0.00029 0.00002 -0.00007 0.00000 -0.00002 0.00009 0.00007 0.00050 0.00050 0.00050 0.00040 0.00040 0.00040 -0.00003 0.00001 -0.00000 0.00000 0.00000 0.00000 0.00001 0.00001 -0.00000 0.00000 0.00000 0.00001 0.00000 0.00001 0.00002 0.00001 0.00001 0.00001 0.00000 0.00001 0.00003 0.00003 0.00004 0.00003 0.00003 0.00004 0.00004 0.00004 0.00005 -0.00000 -0.00001 -0.00001 -0.00001 -0.00001 -0.00002 -0.00002 -0.00003 -0.00003 0.00000 -0.00006 -0.00000 -0.00006 0.00001 -0.00005 -0.00001 -0.00002 -0.00002 -0.00001 -0.00001 -0.00002 -0.00001 -0.00001 -0.00001 0.00000 0.00002 0.00000 0.00002 -0.00000 0.00002 0.00001 0.00001 0.00002 0.00002 0.00002 0.00002 0.00000 0.00001 0.00001 -0.00000 -0.00002 0.00005 0.00003 0.00000 0.00006 -0.00007 -0.00001 -0.00005 -0.00003 -0.00003 -0.00000 0.00005 0.00005 0.00005 0.00005 0.00005 0.00005 0.00005 0.00004 0.00004 0.00005 0.00005 0.00005 0.00004 0.00004 0.00004 0.00004 0.00004 0.00004 0.00003 0.00003 -0.00003 -0.00003 -0.00000 0.00002 -0.00003 -0.00000 0.00003 0.00001 0.00003 0.00001 0.00036 0.00037 -0.00010 -0.00009 0.00003 -0.00001 0.00003 -0.00002 -0.00002 -0.00000 -0.00002 0.00000 -0.00004 -0.00002 -0.00003 0.00001 0.00003 0.00002 2.59443 2.62987 2.31284 2.68743 2.58360 1.90818 2.54226 2.55350 2.75241 2.51563 2.95156 2.95121 2.90212 2.07306 2.95217 2.85738 2.05349 2.95223 2.85876 2.05887 2.94785 2.06475 2.05475 2.06223 2.06534 2.65791 2.62473 2.61732 2.90222 2.90230 2.06921 2.65497 2.64726 2.04959 2.06544 2.06740 2.07039 2.07030 2.06747 2.06492 2.62915 2.05025 2.04885 2.81449 2.68836 2.61567 2.81082 2.03678 2.05974 2.05497 2.06253 2.06253 2.17998 2.02490 2.06106 1.95719 2.09845 2.22755 1.83698 1.62734 2.05191 1.91884 2.05536 1.91614 1.88177 1.77481 1.73997 2.04944 1.85501 1.99735 2.01311 1.77465 1.73995 2.04715 1.85820 2.00263 2.00738 1.80017 1.92387 1.92891 1.94656 1.98410 1.87998 1.80013 1.94153 1.92838 1.96672 1.95092 1.87680 1.86218 2.32675 2.09423 1.85859 2.30191 2.12268 1.93158 1.93097 1.91170 1.92894 1.87985 1.87927 2.14021 2.07093 2.07045 2.06286 2.11437 2.10576 1.95112 1.93658 1.93196 1.87987 1.88143 1.88014 1.93208 1.93601 1.95056 1.88054 1.88118 1.88077 2.10972 2.07839 2.09508 2.10621 2.09443 2.08255 2.15835 2.09441 2.03041 2.35666 2.11923 1.80713 1.94621 2.04034 2.29611 1.87725 2.14976 2.25617 1.84160 1.94600 1.90097 1.93383 1.88246 1.95444 1.87689 1.92327 1.92390 1.91282 1.91271 1.91390 0.91727 -2.28597 -2.42739 0.65255 0.00520 -3.14145 -2.92949 0.20705 -0.00502 3.13972 0.00618 -3.13164 -3.13884 0.00652 -0.00043 2.08363 -2.08473 -3.13834 -1.05428 1.06055 0.00194 3.11294 -0.98004 0.92265 3.10952 1.18016 3.08284 -1.01347 -2.94195 -1.03927 1.14760 0.98036 -0.92564 -3.10395 -1.17713 -3.08312 1.02175 2.94463 1.03864 -1.13967 -3.03826 1.10079 -0.96820 -1.11326 3.02579 0.95680 1.06530 -1.07884 3.13536 0.62541 -1.45481 2.75217 -1.18729 3.01568 0.93947 2.85308 0.77287 -1.30334 -0.60550 2.52822 1.23248 -1.91698 -2.81717 0.31655 -0.62640 -2.73894 1.46104 1.18714 -0.92540 -3.00861 -2.85431 1.31633 -0.76687 0.61234 -2.52514 -1.22630 1.91941 2.81794 -0.31954 0.00055 2.09587 -2.07128 2.06497 -2.12289 -0.00685 -2.08858 0.00675 2.12278 -0.00414 3.13386 -3.13912 -0.00112 -0.03768 -3.11764 3.09521 0.01525 3.12128 0.00056 -0.01568 -3.13639 1.06210 -3.12216 -1.03565 -3.07577 -0.97685 1.10967 -1.02720 1.07172 -3.12495 1.02977 3.11651 -1.06737 -1.11589 0.97084 3.07014 3.11837 -1.07808 1.02122 -3.09504 0.04881 -0.01260 3.13125 0.01832 -3.12256 3.13914 -0.00174 -0.00437 3.13652 3.13495 -0.00736 -2.87968 0.23905 0.26677 -2.89768 3.12314 0.01801 0.00162 -3.10352 -3.12949 0.00802 -0.00452 3.13299 -2.08879 2.14879 0.04621 1.01477 -1.03084 -3.13342 |Maximum Force|RMS Force|Maximum Displacement|RMS Displacement| 0.000050 0.000008 0.001257 0.000272 0.000450 0.000300 0.001800 0.001200 YES YES YES YES -5.256881e-08 Optimization completed. -- Stationary point found. R1 R2 R3 R4 R5 R6 R7 R8 R9 R10 R11 R12 R13 R14 R15 R16 R17 R18 R19 R20 R21 R22 R23 R24 R25 R26 R27 R28 R29 R30 R31 R32 R33 R34 R35 R36 R37 R38 R39 R40 R41 R42 R43 R44 R45 R46 R47 R48 R49 R50 R51 R52 1 2 3 4 4 4 5 5 5 6 7 7 7 7 8 8 8 9 9 9 10 10 10 11 11 12 12 13 14 14 14 15 16 16 17 17 17 18 18 18 19 19 20 21 22 22 23 24 25 26 26 26 25 25 21 15 21 44 6 24 26 23 8 9 14 27 10 12 28 11 13 29 11 30 31 32 33 13 15 16 17 18 34 19 20 35 36 37 38 39 40 41 20 42 43 22 23 24 25 45 46 47 48 49 1.3729 1.3917 1.2239 1.4221 1.3671 1.0098 1.3453 1.3512 1.4565 1.3312 1.5619 1.5617 1.5357 1.097 1.5622 1.5121 1.0867 1.5623 1.5128 1.0895 1.5599 1.0926 1.0873 1.0913 1.0929 1.4065 1.3889 1.385 1.5358 1.5358 1.095 1.4049 1.4009 1.0846 1.093 1.094 1.0956 1.0956 1.0941 1.0927 1.3913 1.0849 1.0842 1.4893 1.4226 1.3842 1.4874 1.0778 1.09 1.0874 1.0914 1.0914 -DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0 A1 A2 A3 A4 A5 A6 A7 A8 A9 A10 A11 A12 A13 A14 A15 A16 A17 A18 A19 A20 A21 A22 A23 A24 A25 A26 A27 A28 A29 A30 A31 A32 A33 A34 A35 A36 A37 A38 A39 A40 A41 A42 A43 A44 A45 A46 A47 A48 A49 A50 A51 A52 A53 A54 A55 A56 A57 A58 A59 A60 A61 A62 A63 A64 A65 A66 A67 A68 A69 A70 A71 A72 A73 A74 A75 A76 A77 A78 A79 A80 A81 A82 A83 A84 A85 A86 A87 A88 A89 A90 A91 A92 A93 A94 A95 A96 A97 15 15 21 6 6 24 5 8 8 8 9 9 14 7 7 7 10 10 12 7 7 7 11 11 13 8 8 8 11 11 30 9 9 9 10 10 32 8 8 13 9 9 12 7 7 7 17 17 18 4 4 12 13 13 20 14 14 14 36 36 37 14 14 14 39 39 40 15 15 20 16 16 19 3 3 4 21 21 23 6 6 22 5 5 22 1 1 1 2 2 23 5 5 5 47 47 48 4 4 4 5 5 5 6 7 7 7 7 7 7 8 8 8 8 8 8 9 9 9 9 9 9 10 10 10 10 10 10 11 11 11 11 11 11 12 12 12 13 13 13 14 14 14 14 14 14 15 15 15 16 16 16 17 17 17 17 17 17 18 18 18 18 18 18 19 19 19 20 20 20 21 21 21 22 22 22 23 23 23 24 24 24 25 25 25 25 25 25 26 26 26 26 26 26 21 44 44 24 26 26 23 9 14 27 14 27 27 10 12 28 12 28 28 11 13 29 13 29 29 11 30 31 30 31 31 10 32 33 32 33 33 13 15 15 12 16 16 17 18 34 18 34 34 12 19 19 20 35 35 36 37 38 37 38 38 39 40 41 40 41 41 20 42 42 19 43 43 4 22 22 23 24 24 22 25 25 22 45 45 2 23 46 23 46 46 47 48 49 48 49 49 124.9028 116.0166 118.0932 112.1381 120.2326 127.629 105.2519 93.2397 117.566 109.9416 117.7632 109.7865 107.8177 101.6894 99.6924 117.4255 106.284 114.4392 115.3423 101.6803 99.6918 117.2933 106.4664 114.7422 115.0145 103.142 110.2292 110.518 111.5296 113.6814 107.7153 103.1401 111.2409 110.4885 112.6845 111.7796 107.5328 106.6957 133.3125 119.9904 106.4889 131.89 121.6207 110.6707 110.6372 109.5324 110.5203 107.7071 107.6747 122.6233 118.6563 118.6288 118.1936 121.1442 120.6513 111.7909 110.9577 110.6931 107.7087 107.798 107.7242 110.7004 110.9254 111.7591 107.7471 107.784 107.7601 120.8774 119.0831 120.0394 120.6767 120.0019 119.3213 123.6605 119.997 116.3417 135.0271 121.4237 103.54 111.5095 116.9022 131.5585 107.5595 123.1726 129.2676 105.5156 111.4981 108.9167 110.8014 107.8561 111.9816 107.5376 110.1959 110.2307 109.5963 109.5905 109.6586 -DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-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 D1 D2 D3 D4 D5 D6 D7 D8 D9 D10 D11 D12 D13 D14 D15 D16 D17 D18 D19 D20 D21 D22 D23 D24 D25 D26 D27 D28 D29 D30 D31 D32 D33 D34 D35 D36 D37 D38 D39 D40 D41 D42 D43 D44 D45 D46 D47 D48 D49 D50 D51 D52 D53 D54 D55 D56 D57 D58 D59 D60 D61 D62 D63 D64 D65 D66 D67 D68 D69 D70 D71 D72 D73 D74 D75 D76 D77 D78 D79 D80 D81 D82 D83 D84 D85 D86 D87 D88 D89 D90 D91 D92 D93 D94 D95 D96 D97 D98 D99 D100 D101 D102 D103 D104 D105 D106 D107 D108 D109 D110 D111 D112 D113 D114 D115 D116 D117 D118 D119 D120 D121 D122 D123 D124 D125 D126 D127 D128 D129 D130 D131 D132 D133 D134 D135 D136 D137 D138 D139 D140 D141 D142 D143 D144 D145 D146 D147 21 21 44 44 15 15 44 44 24 26 6 6 26 26 6 6 6 24 24 24 5 5 9 9 9 14 14 14 27 27 27 8 8 8 14 14 14 27 27 27 8 8 8 9 9 9 27 27 27 7 7 7 12 12 12 28 28 28 7 7 10 10 28 28 7 7 7 13 13 13 29 29 29 7 7 11 11 29 29 8 8 8 30 30 30 31 31 31 8 8 15 15 8 8 13 13 9 9 12 12 7 7 7 18 18 18 34 34 34 7 7 7 17 17 17 34 34 34 4 4 12 12 13 13 35 35 15 15 42 42 3 3 4 4 21 21 24 24 21 21 23 23 6 6 6 22 22 4 4 4 4 4 4 4 4 5 5 5 5 5 5 5 5 5 5 5 5 6 6 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 10 10 10 10 10 10 10 10 10 12 12 12 12 12 12 12 12 13 13 13 13 14 14 14 14 14 14 14 14 14 14 14 14 14 14 14 14 14 14 15 15 15 15 16 16 16 16 19 19 19 19 21 21 21 21 22 22 22 22 22 22 22 22 23 23 23 23 23 15 15 15 15 21 21 21 21 6 6 24 24 24 24 26 26 26 26 26 26 23 23 8 8 8 8 8 8 8 8 8 9 9 9 9 9 9 9 9 9 14 14 14 14 14 14 14 14 14 10 10 10 10 10 10 10 10 10 12 12 12 12 12 12 11 11 11 11 11 11 11 11 11 13 13 13 13 13 13 11 11 11 11 11 11 11 11 11 13 13 13 13 15 15 15 15 16 16 16 16 17 17 17 17 17 17 17 17 17 18 18 18 18 18 18 18 18 18 19 19 19 19 20 20 20 20 20 20 20 20 22 22 22 22 23 23 23 23 24 24 24 24 25 25 25 25 25 12 19 12 19 3 22 3 22 23 23 22 45 22 45 47 48 49 47 48 49 22 25 10 12 28 10 12 28 10 12 28 11 13 29 11 13 29 11 13 29 17 18 34 17 18 34 17 18 34 11 30 31 11 30 31 11 30 31 13 15 13 15 13 15 10 32 33 10 32 33 10 32 33 12 16 12 16 12 16 9 32 33 9 32 33 9 32 33 9 16 9 16 4 19 4 19 20 35 20 35 36 37 38 36 37 38 36 37 38 39 40 41 39 40 41 39 40 41 20 42 20 42 19 43 19 43 16 43 16 43 23 24 23 24 6 25 6 25 5 45 5 45 1 2 46 1 2 52.5485 -130.9802 -139.082 37.3894 0.3123 -180.0047 -167.8368 11.8462 -0.2886 179.8966 0.3542 -179.4285 -179.8479 0.3694 -0.0537 119.3547 -119.4748 -179.837 -60.4286 60.7419 0.1126 178.3578 -56.1517 52.8636 178.1619 67.6183 176.6336 -58.068 -168.5611 -59.5458 65.7525 56.1695 -53.0353 -177.8437 -67.4455 -176.6503 58.5413 168.7143 59.5096 -65.2988 -174.0815 63.0686 -55.4763 -63.7866 173.3635 54.8186 61.0352 -61.8147 179.6403 35.8335 -83.3537 157.6884 -68.0263 172.7864 53.8285 163.471 44.2838 -74.6741 -34.6928 144.8599 70.6161 -109.8312 -161.413 18.1396 -35.8895 -156.929 83.7124 68.0186 -53.0209 -172.3795 -163.5399 75.4206 -43.938 35.0842 -144.6811 -70.2617 109.973 161.4563 -18.309 0.0308 120.0838 -118.6764 118.3133 -121.6337 -0.3939 -119.6669 0.3861 121.6259 -0.2369 179.5579 -179.8611 -0.0662 -2.1591 -178.6314 177.3462 0.8739 178.8394 0.0338 -0.8964 -179.7019 60.8506 -178.8898 -59.3412 -176.2316 -55.972 63.5766 -58.857 61.4026 -179.0488 58.999 178.56 -61.1588 -63.9383 55.6228 175.904 178.6672 -61.7718 58.5095 -177.3347 2.7946 -0.7205 179.4089 1.0495 -178.9109 179.8612 -0.0992 -0.2519 179.7088 179.6175 -0.4218 -165.0143 13.6753 15.2904 -166.02 178.941 1.0325 0.0912 -177.8173 -179.3055 0.4595 -0.2581 179.5069 -119.6767 123.1181 2.6494 58.1413 -59.064 -DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0 1 Grimme-D3 -0.0540473250 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 336.23030639999973 AuxInfo=1/0/N:7;8;9;10;11;12;13;14;15;16;17;18;19;20;21;22;23;24;25;26;1;2;4;5;6;3;27;28;29;30;31;32;33;34;35;36;37;38;39;40;41;42;43;44;45;46;47;48;49/rA:49nF0F0O0N0N0N0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:2.3644,.0491,2.5977;3.0836,1.9489,1.7507;.7933,-.35,-1.7959;.8183,1.1365,-.0468;4.7425,-1.1778,-.8189;4.8157,-.6328,.4088;-3.154,-.7523,.5405;-1.8112,-.6648,-.2525;-3.8813,.2545,-.4062;-2.2684,-1.0584,-1.6934;-3.6908,-.4269,-1.7991;-1.6192,.835,-.2633;-2.9014,1.4059,-.3547;-3.7815,-2.1419,.7246;-.4984,1.6523,-.1957;-3.0851,2.7785,-.3786;-5.1582,-2.0302,1.396;-2.8543,-3.0503,1.5455;-.6799,3.0455,-.2021;-1.9533,3.5993,-.2895;1.3777,.1753,-.8454;2.7751,-.2246,-.5161;3.634,-.0518,.6048;3.5425,-.9615,-1.4015;3.4189,.6089,1.9199;5.8796,-1.9037,-1.3679;-3.0313,-.305,1.5346;-.969,-1.2388,.1245;-4.9109,.5146,-.1628;-2.304,-2.1458,-1.7946;-1.5665,-.6801,-2.4328;-3.7692,.3004,-2.609;-4.4603,-1.1856,-1.9624;-3.9254,-2.6112,-.2541;-4.0777,3.2106,-.4444;-5.8558,-1.4406,.7957;-5.6017,-3.0189,1.5462;-5.0726,-1.5504,2.3773;-2.6564,-2.613,2.5304;-3.3087,-4.0331,1.7023;-1.893,-3.2029,1.0488;.1899,3.6909,-.1398;-2.0646,4.6778,-.2876;1.4232,1.6419,.5842;3.2887,-1.3281,-2.3827;4.3076,.5637,2.5494;6.674,-1.8782,-.6257;5.6026,-2.9394,-1.5722;6.223,-1.4272,-2.2879; 0.000000 2.200881 0.000000 4.683112 4.807188 0.000000 3.250564 3.003775 2.295551 0.000000 4.339857 4.373966 4.151622 4.620747 0.000000 3.356438 3.386230 4.595661 4.395107 1.345186 0.000000 5.943652 6.904256 4.604544 4.437531 8.023964 7.971687 0.000000 5.105747 5.899419 3.043829 3.193931 6.598139 6.659894 1.561883 0.000000 6.933571 7.485515 4.914126 4.795137 8.751691 8.780058 1.561732 2.270259 0.000000 6.411180 7.039175 3.144264 4.129969 7.066254 7.401672 2.422470 1.562179 2.445849 0.000000 7.498307 8.008660 4.484815 5.084004 8.523283 8.790820 2.422388 2.445791 1.562283 1.559941 0.000000 4.967108 5.235806 3.094111 2.465653 6.695668 6.634347 2.349687 1.512039 2.339708 2.460010 2.870986 0.000000 6.187535 6.367667 4.337157 3.742111 8.082073 8.018247 2.350121 2.342356 1.512799 2.875018 2.463465 1.406464 0.000000 6.788274 8.057089 5.522028 5.700953 8.716128 8.734353 1.535745 2.649243 2.651717 3.051295 3.052697 3.809586 3.811330 0.000000 4.309198 4.087476 2.870284 1.422011 5.988784 5.816121 3.657350 2.663743 3.666308 3.567066 4.133438 1.388812 2.420750 5.101107 0.000000 6.782618 6.578296 5.180545 4.247653 8.781622 8.641683 3.649111 3.673518 2.646718 4.137351 3.557979 2.437031 1.385034 5.090385 2.827057 0.000000 7.896641 9.158935 6.959329 6.915800 10.181228 10.119616 2.526215 3.972940 3.177822 4.340539 3.864324 4.846309 4.468211 1.535794 6.148802 5.529038 0.000000 6.160166 7.764797 5.635753 5.792427 8.173643 8.121898 2.525956 3.164055 3.973138 3.847300 4.332324 4.460068 4.844622 1.535827 5.540404 6.142444 2.524097 0.000000 5.107327 4.379480 4.029895 2.431703 6.900683 6.641149 4.593006 3.879230 4.252036 4.646434 4.865518 2.402579 2.765193 6.114500 1.404955 2.426321 6.954935 6.703725 0.000000 6.291417 5.679466 5.040826 3.715667 8.242246 8.013580 4.589868 4.266586 3.862386 4.874870 4.637636 2.784530 2.390387 6.109947 2.432297 1.400878 6.693498 6.956671 1.391334 0.000000 3.583890 3.577070 1.233291 1.369110 3.626764 3.747740 4.828821 3.350608 5.277914 3.941500 5.192552 3.123424 4.479475 5.869556 2.474591 5.187564 7.253035 5.833573 3.589663 4.809187 0.000000 3.152694 3.155630 2.362432 2.429353 2.207036 2.277289 6.045567 4.614909 6.674515 5.245766 6.595102 4.527341 5.908195 6.942913 3.787022 6.586261 8.357851 6.627553 4.767530 6.085328 1.490302 0.000000 2.365175 2.370481 3.731159 3.124830 2.126854 1.331323 6.824343 5.546238 7.589172 6.413508 7.718326 5.397811 6.764342 7.705336 4.541120 7.356834 9.046717 7.209271 5.371599 6.734087 2.691687 1.422629 0.000000 4.289841 4.314809 2.843833 3.695618 1.351387 2.237411 6.975494 5.483622 7.588249 5.818999 7.263938 5.582657 6.944301 7.717119 4.961337 7.678407 9.201633 7.346169 5.943329 7.227774 2.507531 1.384104 2.204726 0.000000 1.372916 1.391652 4.649786 3.302935 3.527792 2.403422 6.852666 5.804797 7.670051 6.941303 8.090288 5.495497 6.764239 7.800097 4.572764 7.231290 8.989247 7.272059 5.219210 6.533332 3.464271 2.653927 1.487415 3.675985 0.000000 5.647749 5.690939 5.335519 6.050198 1.456500 2.429758 9.304528 7.869453 10.042839 8.198219 9.693349 8.059387 9.438537 9.888025 7.395886 10.162049 11.379367 9.278176 8.299483 9.633304 4.986233 3.630856 3.516235 2.520152 4.814370 0.000000 5.510804 6.520627 5.071685 4.404339 8.169036 7.934137 1.097009 2.193540 2.191443 3.401452 3.400539 2.554573 2.552147 2.143118 3.638735 3.629178 2.742108 2.750974 4.446422 4.442150 5.033328 6.158407 6.734603 7.229515 6.526032 9.507123 0.000000 4.345899 5.406426 2.753879 2.977526 5.789263 5.823318 2.276786 1.086670 3.315575 2.241857 3.430462 2.207626 3.310267 3.014252 2.946582 4.568264 4.448869 2.975732 4.306395 4.954478 2.906459 3.931573 4.777784 4.770646 5.088348 7.040861 2.667059 0.000000 7.795319 8.344507 5.996075 5.764053 9.822608 9.810730 2.277377 3.317711 1.089508 3.435144 2.247792 3.308759 2.206709 3.019923 4.556913 2.916432 2.994466 4.456035 4.930335 4.275367 6.334671 7.729556 8.597993 8.670236 8.586777 11.123696 2.661918 4.323820 0.000000 6.775209 7.639472 3.580216 4.855561 7.179273 7.604836 2.849004 2.194160 3.190137 1.092630 2.208652 3.420322 3.878731 2.920549 4.499089 5.183010 4.282561 3.503930 5.667691 5.949267 4.454576 5.578728 6.738022 5.978113 7.357799 8.198293 3.873113 2.507551 4.066517 0.000000 6.425665 6.785015 2.466417 3.831435 6.531142 6.986329 3.371276 2.194049 3.215370 1.087377 2.231245 2.646655 3.232887 4.124577 3.403702 4.299708 5.420599 4.806559 4.431906 4.801673 3.452518 4.767638 6.055264 5.219603 6.742508 7.620750 4.245733 2.684929 4.214882 1.760496 0.000000 8.049487 8.287693 4.679864 5.320659 8.822679 9.147624 3.377260 3.212287 2.206061 2.221990 1.091285 3.226535 2.656520 4.132542 4.283649 3.403483 4.837458 5.415189 4.782511 4.422670 5.442178 6.890880 8.078374 7.517435 8.501508 9.974933 4.252095 4.205057 2.707975 2.965493 2.417562 0.000000 8.300356 8.973473 5.322302 6.076649 9.273639 9.590254 2.856322 3.195785 2.197919 2.212052 1.092928 3.878338 3.425045 2.931778 5.183778 4.484854 3.532604 4.285081 5.940729 5.654976 6.097771 7.440886 8.567030 8.025579 8.965223 10.381921 3.878979 4.067851 2.516388 2.366445 2.975096 1.761809 0.000000 7.400829 8.598871 5.454972 6.049066 8.803822 8.986721 2.163785 2.873760 2.870106 2.688589 2.685786 4.146655 4.146793 1.094981 5.470399 5.456231 2.140205 2.139868 6.521815 6.516171 6.019773 7.117689 8.027033 7.733530 8.308748 9.893468 3.052482 3.281371 3.278733 2.284470 3.747023 3.747957 2.288346 0.000000 7.794199 7.595664 6.183102 5.332054 9.858696 9.725830 4.186612 4.493565 2.962790 4.801848 3.900723 3.423473 2.156063 5.486621 3.911649 1.084598 5.658620 6.682401 3.410386 2.165200 6.255799 7.665910 8.438828 8.740072 8.279958 11.231949 4.167809 5.457479 2.835815 5.801667 5.039512 3.639957 4.666564 5.826859 0.000000 8.546199 9.607959 7.219146 7.203778 10.723803 10.709005 2.799721 4.249582 2.866455 4.383041 3.528124 4.924201 4.260786 2.190782 6.264969 5.182300 1.092989 3.487449 6.921675 6.465827 7.591283 8.814259 9.592752 9.663536 9.564747 11.942180 3.132606 4.936755 2.373622 4.452208 5.422090 4.356181 3.101465 2.489712 5.131525 0.000000 8.601014 10.007788 7.693488 7.811658 10.769755 10.747589 3.484304 4.810954 4.181800 5.044823 4.643474 5.829840 5.521265 2.181176 7.134301 6.606680 1.094020 2.747637 8.003592 7.776961 8.039629 9.068218 9.746226 9.825397 9.730012 11.897830 3.737988 5.162581 3.985415 4.774819 6.130718 5.625100 4.119973 2.493512 6.715030 1.766060 0.000000 7.610247 8.897266 7.298340 6.913659 10.329159 10.124032 2.773439 4.282136 3.524944 4.967558 4.540310 4.958689 4.573614 2.179018 6.148245 5.503150 1.095601 2.803964 6.860842 6.584926 7.414208 8.468522 9.010700 9.425784 8.773716 11.580300 2.535385 4.691643 3.277577 5.042278 6.015564 5.476074 4.397819 3.060350 5.623084 1.768328 1.768345 0.000000 5.683242 7.373316 5.978135 5.724827 8.247496 8.015881 2.769358 3.500548 4.283313 4.517493 4.959233 4.557254 4.953280 2.179114 5.502807 6.141137 2.808142 1.095555 6.587165 6.858427 5.953488 6.669781 7.059484 7.524110 6.903806 9.410813 2.541442 3.244016 4.702958 4.364380 5.436591 6.011599 5.047430 3.060075 6.692028 3.823600 3.131855 2.643984 0.000000 7.046259 8.754861 6.529062 6.842184 8.906800 8.901731 3.483812 4.172368 4.812193 4.632664 5.040906 5.515021 5.829176 2.180808 6.619918 7.125805 2.743395 1.094060 7.787341 8.003544 6.794354 7.512506 8.078107 8.124403 8.176561 9.918963 3.742131 3.971320 5.169794 4.098710 5.601441 6.130097 4.781635 2.495925 7.594064 3.745741 2.512171 3.119385 1.768588 0.000000 5.576738 7.197236 4.842303 5.232742 7.184721 7.212643 2.802414 2.853388 4.245461 3.501370 4.364551 4.254492 4.922112 2.190213 5.202541 6.263767 3.486715 1.092703 6.486763 6.932795 5.069305 5.754160 6.377653 6.369645 6.595856 8.242771 3.151056 2.359191 4.939133 3.061279 4.311902 5.401180 4.441601 2.485654 6.937897 4.344304 3.746429 3.821642 1.767919 1.766429 0.000000 5.048227 3.870616 4.408609 2.632238 6.700115 6.355561 5.602390 4.794714 5.334273 5.568956 5.896588 3.382996 3.850130 7.109191 2.152402 3.408074 7.980715 7.586213 1.084941 2.150404 3.777329 4.707024 5.140408 5.871664 4.916018 8.073459 5.398793 5.070964 6.008998 6.559326 5.239121 5.767793 6.980489 7.527668 4.305348 7.984835 9.022603 7.842280 7.414171 8.677155 7.298999 0.000000 7.025993 6.172877 5.976686 4.572703 8.994769 8.719220 5.599852 5.348664 4.783255 5.909454 5.566561 3.868572 3.377843 7.104915 3.407998 2.157989 7.576373 7.981611 2.142150 1.084210 5.694949 6.892579 7.459115 8.029988 7.176130 10.372687 5.392845 6.031193 5.044731 6.992062 5.792781 5.239838 6.551619 7.522824 2.495992 7.278793 8.666779 7.412171 7.838747 9.021407 7.994963 2.465434 0.000000 2.734380 2.052254 3.166916 1.009738 4.575679 4.088242 5.165782 4.059856 5.571707 5.109547 6.009484 3.259770 4.431647 6.436293 2.073951 4.748005 7.580151 6.421651 2.647959 3.999481 2.048561 2.553814 2.785028 3.900205 2.614149 6.020077 4.953443 3.772584 6.476919 5.822126 4.840675 6.241632 7.006885 6.884766 5.811983 7.907622 8.485215 7.456687 6.207633 7.473039 5.889407 2.498743 4.705454 0.000000 5.249382 5.278891 2.743732 4.199233 2.140478 3.256912 7.098239 5.566611 7.603961 5.606172 7.061652 5.767059 7.064331 7.765658 5.292312 7.842562 9.280216 7.492216 6.295539 7.492635 2.876740 2.228414 3.266989 1.077813 4.720336 2.841468 7.505640 4.941914 8.692387 5.682637 4.898509 7.246939 7.761752 7.630266 8.866818 9.681752 9.865873 9.623862 7.818768 8.217622 6.491582 6.310636 8.313705 4.593862 0.000000 2.010777 2.013700 5.662722 4.386723 3.816699 2.504393 7.838552 6.840987 8.711442 7.992260 9.157823 6.565981 7.817421 8.722562 5.640799 8.254056 9.882303 8.084599 6.213312 7.514849 4.501026 3.516680 2.148042 4.303559 1.089970 4.889221 7.459479 6.080404 9.609335 8.362053 7.802142 9.587144 10.014625 9.258643 9.288804 10.506508 10.584715 9.617033 7.654305 8.936187 7.408527 5.828057 8.098041 3.652927 5.379827 0.000000 5.716478 5.760708 6.187661 6.611538 2.063617 2.464637 9.960777 8.579651 10.770839 9.043138 10.531533 8.733301 10.126517 10.545626 8.005834 10.815958 12.004668 9.842578 8.860162 10.224783 5.684688 4.236490 3.753861 3.353885 4.823020 1.087444 10.066519 7.706327 11.838502 9.057683 8.520942 10.850857 11.235654 10.631247 11.896519 12.617731 12.518485 12.128823 9.877074 10.474586 8.829100 8.561219 10.929650 6.436253 3.853540 4.652299 0.000000 6.066743 6.425199 5.466633 6.467513 2.100118 3.140662 9.269518 7.866359 10.074936 8.093502 9.629739 8.253107 9.627091 9.693904 7.758933 10.468713 11.199619 9.013916 8.784425 10.074277 5.298973 4.059571 4.117364 2.860999 5.436325 1.091458 9.546507 6.996908 11.155713 7.949369 7.565747 9.970078 10.222047 9.624327 11.523951 11.796045 11.630443 11.466770 9.227528 9.556581 7.945004 8.678130 10.883768 6.565447 2.933802 5.561996 1.780432 0.000000 6.398258 6.129012 5.557287 6.387890 2.100438 3.143792 9.817458 8.322991 10.414646 8.520115 9.976119 8.409320 9.747668 10.472590 7.683617 10.390982 11.977742 9.986295 8.485608 9.803592 5.303328 4.058738 4.118496 2.861414 5.451063 1.091441 10.075328 7.588145 11.499998 8.571351 7.826533 10.145538 10.690990 10.417677 11.445985 12.466133 12.532270 12.221669 10.171743 10.656655 8.953004 8.198000 10.485928 6.380094 2.937452 5.570595 1.780368 1.784387 0.000000 C20H23F2N3O 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 0 0 336.23030639999973 AuxInfo=1/0/N:7;8;9;10;11;12;13;14;15;16;17;18;19;20;21;22;23;24;25;26;1;2;4;5;6;3;27;28;29;30;31;32;33;34;35;36;37;38;39;40;41;42;43;44;45;46;47;48;49/rA:49nF0F0O0N0N0N0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:2.3644,.0491,2.5977;3.0836,1.9489,1.7507;.7933,-.35,-1.7959;.8183,1.1365,-.0468;4.7425,-1.1778,-.8189;4.8157,-.6328,.4088;-3.154,-.7523,.5405;-1.8112,-.6648,-.2525;-3.8813,.2545,-.4062;-2.2684,-1.0584,-1.6934;-3.6908,-.4269,-1.7991;-1.6192,.835,-.2633;-2.9014,1.4059,-.3547;-3.7815,-2.1419,.7246;-.4984,1.6523,-.1957;-3.0851,2.7785,-.3786;-5.1582,-2.0302,1.396;-2.8543,-3.0503,1.5455;-.6799,3.0455,-.2021;-1.9533,3.5993,-.2895;1.3777,.1753,-.8454;2.7751,-.2246,-.5161;3.634,-.0518,.6048;3.5425,-.9615,-1.4015;3.4189,.6089,1.9199;5.8796,-1.9037,-1.3679;-3.0313,-.305,1.5346;-.969,-1.2388,.1245;-4.9109,.5146,-.1628;-2.304,-2.1458,-1.7946;-1.5665,-.6801,-2.4328;-3.7692,.3004,-2.609;-4.4603,-1.1856,-1.9624;-3.9254,-2.6112,-.2541;-4.0777,3.2106,-.4444;-5.8558,-1.4406,.7957;-5.6017,-3.0189,1.5462;-5.0726,-1.5504,2.3773;-2.6564,-2.613,2.5304;-3.3087,-4.0331,1.7023;-1.893,-3.2029,1.0488;.1899,3.6909,-.1398;-2.0646,4.6778,-.2876;1.4232,1.6419,.5842;3.2887,-1.3281,-2.3827;4.3076,.5637,2.5494;6.674,-1.8782,-.6257;5.6026,-2.9394,-1.5722;6.223,-1.4272,-2.2879; 0.3292068 0.1171607 0.1069505 -24.70646 -24.70083 -19.09238 -14.42655 -14.36521 -14.34917 -10.35726 -10.28895 -10.23941 -10.23439 -10.23182 -10.21421 -10.20441 -10.17239 -10.17139 -10.17075 -10.17019 -10.16959 -10.16922 -10.16876 -10.16774 -10.16691 -10.15889 -10.15373 -10.15259 -10.15165 -1.27002 -1.21223 -1.09012 -1.04248 -0.94088 -0.88868 -0.88529 -0.83308 -0.82303 -0.78838 -0.77107 -0.75542 -0.73557 -0.71592 -0.70239 -0.69003 -0.67854 -0.65861 -0.62471 -0.61300 -0.61014 -0.59632 -0.57583 -0.57357 -0.56334 -0.55504 -0.54591 -0.53979 -0.52431 -0.51296 -0.51042 -0.50124 -0.49251 -0.47592 -0.46024 -0.45341 -0.44841 -0.44590 -0.44173 -0.43718 -0.43115 -0.43036 -0.42940 -0.42670 -0.41944 -0.41742 -0.41020 -0.39505 -0.39221 -0.38155 -0.37247 -0.36876 -0.36509 -0.35573 -0.35060 -0.34136 -0.33742 -0.33264 -0.32400 -0.32155 -0.31829 -0.31077 -0.29883 -0.29143 -0.28882 -0.27861 -0.26629 -0.23449 -0.22922 -0.04388 -0.02789 -0.00880 -0.00606 -0.00261 0.00475 0.01062 0.01501 0.01880 0.02493 0.02643 0.02859 0.03376 0.03671 0.03829 0.04239 0.04804 0.04898 0.05365 0.05512 0.05786 0.06249 0.06441 0.06708 0.07298 0.07380 0.08004 0.08280 0.08853 0.08922 0.09442 0.09725 0.09773 0.10115 0.10433 0.10689 0.11150 0.11464 0.11735 0.12004 0.12207 0.12399 0.12714 0.12977 0.13436 0.13694 0.13977 0.14185 0.14886 0.15076 0.15333 0.15518 0.15758 0.16121 0.16408 0.16726 0.16970 0.17091 0.17101 0.17544 0.17849 0.18077 0.18205 0.18567 0.18729 0.19074 0.19162 0.19326 0.19420 0.19696 0.20026 0.20239 0.20440 0.20634 0.20863 0.21140 0.21279 0.21587 0.21919 0.22050 0.22281 0.22603 0.22720 0.23119 0.23293 0.23517 0.23595 0.23984 0.24189 0.24432 0.24534 0.24763 0.24877 0.25219 0.25583 0.25758 0.26183 0.26473 0.26767 0.26880 0.27106 0.27404 0.27632 0.27897 0.28362 0.28569 0.28816 0.29119 0.29488 0.29821 0.30146 0.30612 0.30650 0.30985 0.31287 0.31519 0.31928 0.32229 0.32426 0.32814 0.33184 0.33328 0.33783 0.34138 0.34343 0.34943 0.35317 0.35698 0.35940 0.36428 0.36711 0.37156 0.37308 0.37765 0.38162 0.38911 0.39055 0.39262 0.40204 0.40527 0.41076 0.41724 0.41788 0.42103 0.42379 0.43146 0.43693 0.44494 0.44587 0.45467 0.45924 0.46344 0.47312 0.48054 0.48319 0.49439 0.50174 0.50450 0.51276 0.51708 0.52160 0.52354 0.52715 0.53727 0.53971 0.54888 0.55089 0.55659 0.56638 0.56831 0.57231 0.57398 0.58572 0.59072 0.59596 0.59805 0.60288 0.60964 0.61256 0.61861 0.62650 0.62677 0.63819 0.64247 0.64659 0.64974 0.65556 0.66197 0.66551 0.66668 0.66844 0.67262 0.67835 0.68840 0.69404 0.69532 0.69915 0.70288 0.70359 0.70768 0.70944 0.71367 0.71452 0.72151 0.72468 0.72544 0.73241 0.73256 0.73850 0.74001 0.74550 0.75445 0.75757 0.76164 0.77179 0.77276 0.77705 0.78031 0.78937 0.78980 0.79459 0.80015 0.80588 0.81299 0.82144 0.82280 0.82700 0.82922 0.84015 0.84225 0.85152 0.85528 0.85978 0.86650 0.87350 0.88250 0.88923 0.89535 0.89780 0.90217 0.91258 0.91511 0.93649 0.94209 0.95371 0.96064 0.96456 0.97331 0.98530 0.98987 0.99392 1.00089 1.00409 1.01801 1.02017 1.02833 1.03226 1.04907 1.05343 1.06544 1.07340 1.07712 1.08127 1.08502 1.10055 1.10173 1.11254 1.11729 1.14747 1.15158 1.15696 1.17684 1.18295 1.18749 1.20455 1.22026 1.22181 1.23130 1.24877 1.25794 1.26257 1.26807 1.29413 1.29995 1.31268 1.31779 1.32509 1.34224 1.35052 1.35795 1.37009 1.37386 1.38434 1.39972 1.40402 1.41020 1.42864 1.43056 1.43400 1.44403 1.45203 1.46385 1.47048 1.47899 1.48126 1.49295 1.49846 1.50245 1.50728 1.51733 1.52028 1.52280 1.53446 1.53647 1.54556 1.55285 1.55778 1.56312 1.56908 1.57246 1.57435 1.58365 1.58760 1.59094 1.59916 1.60460 1.60978 1.61230 1.61685 1.62715 1.62997 1.63595 1.64190 1.65211 1.65589 1.66501 1.66897 1.68091 1.68281 1.68605 1.70464 1.70719 1.71106 1.72525 1.73099 1.73631 1.73762 1.74363 1.75616 1.76076 1.76524 1.77402 1.78052 1.78476 1.78529 1.79416 1.80128 1.81910 1.82261 1.83054 1.83590 1.84059 1.84681 1.85042 1.85985 1.86558 1.87152 1.88443 1.88586 1.89658 1.91204 1.91621 1.92324 1.93627 1.94377 1.94815 1.94957 1.95774 1.96815 1.96993 1.98466 1.99362 1.99962 2.00448 2.00611 2.01223 2.02646 2.03611 2.04229 2.05164 2.05992 2.07498 2.08408 2.09398 2.10002 2.10877 2.11424 2.12036 2.13038 2.13484 2.14044 2.16354 2.16597 2.17452 2.18101 2.18842 2.20697 2.22245 2.22916 2.24990 2.25897 2.27251 2.28467 2.28818 2.29835 2.30968 2.32214 2.33264 2.33734 2.34718 2.35563 2.37060 2.37949 2.40158 2.41211 2.42089 2.43100 2.43552 2.44315 2.45112 2.45520 2.47082 2.47650 2.48861 2.50038 2.50578 2.51676 2.52005 2.53685 2.54298 2.55583 2.56191 2.58144 2.59480 2.60479 2.60847 2.61652 2.61889 2.62354 2.63836 2.64470 2.64805 2.65732 2.66257 2.68547 2.69048 2.70379 2.70910 2.72018 2.72353 2.73853 2.74186 2.74733 2.74925 2.75431 2.76870 2.77385 2.78195 2.78970 2.79479 2.79781 2.81304 2.82007 2.83095 2.84349 2.85646 2.86793 2.87565 2.88301 2.89876 2.90665 2.91092 2.91680 2.92711 2.93313 2.94193 2.95428 2.96164 2.97495 2.97923 2.99680 3.00549 3.01201 3.02425 3.03596 3.04148 3.04759 3.06673 3.06876 3.07431 3.07850 3.10333 3.14234 3.15211 3.16253 3.17588 3.18409 3.21704 3.22419 3.24153 3.27597 3.29157 3.29923 3.33465 3.36084 3.37964 3.39818 3.40672 3.40976 3.43934 3.46191 3.49579 3.50772 3.56334 3.58280 3.59946 3.63142 3.64825 3.67707 3.68464 3.68782 3.70068 3.73867 3.76817 3.77559 3.79242 3.80377 3.81082 3.82503 3.82999 3.84460 3.84527 3.84640 3.85629 3.89251 3.93696 3.97698 3.98299 3.98833 3.99466 4.01174 4.03994 4.05354 4.06406 4.07696 4.11121 4.13308 4.13669 4.18126 4.20789 4.25907 4.28972 4.30807 4.33560 4.36573 4.37514 4.39238 4.44215 4.58827 4.76412 4.87293 4.87730 4.90850 4.97770 5.11706 5.14810 5.33611 5.43180 5.83840 6.35361 6.39158 6.41296 6.46471 6.56832 6.66956 23.62268 23.66004 23.75001 23.84878 23.86633 23.88751 23.89620 23.90135 23.94601 23.95894 23.96966 23.98406 23.99597 23.99951 24.02642 24.10208 24.11105 24.11403 24.14780 24.21519 35.48814 35.56294 35.66445 50.05697 66.75955 66.82771 1-A. 3.5872 -1.6493 -0.9525 4.0615 -124.2982 -148.3099 -158.4125 -10.0329 -9.9371 3.9570 19.3753 -4.6363 -14.7390 -10.0329 -9.9371 3.9570 195.0388 10.2668 23.7746 32.3053 -58.1780 -57.1981 52.9981 -9.2190 -6.3067 24.8935 -9236.8582 -2731.7848 -1542.3705 -392.4212 -232.2404 -66.6997 46.1890 40.2387 62.7484 -2013.9635 -1812.7518 -765.3943 148.4100 -26.1333 -12.9404 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 336.23030639999973 AuxInfo=1/0/N:7;8;9;10;11;12;13;14;15;16;17;18;19;20;21;22;23;24;25;26;1;2;4;5;6;3;27;28;29;30;31;32;33;34;35;36;37;38;39;40;41;42;43;44;45;46;47;48;49/rA:49nF0F0O0N0N0N0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:2.3656,.0487,2.5984;3.0851,1.9487,1.7522;.7979,-.345,-1.7869;.8191,1.1362,-.0468;4.7417,-1.1773,-.8202;4.8156,-.6328,.4077;-3.1538,-.7528,.5406;-1.811,-.6655,-.2524;-3.881,.2541,-.4062;-2.2682,-1.059,-1.6935;-3.6908,-.4276,-1.799;-1.6188,.8342,-.2633;-2.9009,1.4053,-.3549;-3.7813,-2.1423,.7249;-.4979,1.6517,-.1958;-3.0844,2.7779,-.3789;-5.1597,-2.0304,1.3928;-2.8557,-3.0492,1.5492;-.6793,3.0448,-.2024;-1.9526,3.5986,-.2899;1.3782,.1762,-.8437;2.7748,-.2238,-.5157;3.6343,-.0516,.6048;3.5415,-.9606,-1.402;3.4201,.6085,1.9204;5.8785,-1.9028,-1.3704;-3.031,-.3053,1.5346;-.9689,-1.2396,.1245;-4.9105,.5144,-.1627;-2.3036,-2.1463,-1.7949;-1.5665,-.6804,-2.4327;-3.7696,.2993,-2.609;-4.4602,-1.1866,-1.9617;-3.9226,-2.6129,-.2537;-4.077,3.21,-.4449;-5.8564,-1.4429,.7894;-5.6026,-3.0192,1.5442;-5.0769,-1.5483,2.3731;-2.6613,-2.6112,2.5344;-3.3095,-4.0324,1.705;-1.8927,-3.201,1.0556;.1905,3.6903,-.1402;-2.0638,4.6771,-.2882;1.4239,1.6418,.5842;3.287,-1.3267,-2.3832;4.309,.5626,2.5494;6.6722,-1.8804,-.6274;5.6004,-2.9377,-1.5779;6.2232,-1.4241,-2.2887; 0.000000 2.200873 0.000000 4.673711 4.797629 0.000000 3.251416 3.005200 2.285155 0.000000 4.339999 4.374225 4.144947 4.619153 0.000000 3.356455 3.386211 4.587056 4.394025 1.345309 0.000000 5.944829 6.905735 4.604232 4.438144 8.023087 7.971388 0.000000 5.107001 5.901179 3.043605 3.194650 6.597083 6.659465 1.561899 0.000000 6.934715 7.487077 4.914969 4.795655 8.750445 8.779494 1.561717 2.270283 0.000000 6.412488 7.041086 3.149570 4.130623 7.065083 7.401187 2.422557 1.562218 2.445829 0.000000 7.499613 8.010622 4.489464 5.084768 8.522108 8.790354 2.422290 2.445830 1.562257 1.559936 0.000000 4.968109 5.237400 3.090638 2.466046 6.694150 6.633513 2.349694 1.512057 2.339790 2.459986 2.871213 0.000000 6.188570 6.369177 4.335304 3.742423 8.080514 8.017423 2.350096 2.342334 1.512790 2.874848 2.463532 1.406504 0.000000 6.789332 8.058434 5.523419 5.701545 8.715454 8.734170 1.535737 2.649166 2.651768 3.051418 3.052545 3.809554 3.811329 0.000000 4.310104 4.089057 2.863062 1.422131 5.987145 5.815145 3.657511 2.663980 3.666463 3.567209 4.133811 1.388940 2.420823 5.101230 0.000000 6.783527 6.579640 5.177545 4.247737 8.779867 8.640697 3.649073 3.673499 2.646667 4.137139 3.558036 2.437057 1.385027 5.090382 2.827031 0.000000 7.899794 9.161792 6.960150 6.917072 10.181459 10.120790 2.526313 3.972837 3.176502 4.339224 3.861815 4.846318 4.467690 1.535787 6.149277 5.528548 0.000000 6.161150 7.766133 5.638352 5.793873 8.175437 8.123471 2.525840 3.165328 3.973242 3.849793 4.333633 4.460535 4.844591 1.535832 5.540993 6.142063 2.524096 0.000000 5.108181 4.380941 4.022877 2.431594 6.898954 6.640127 4.593112 3.879406 4.252108 4.646442 4.865796 2.402702 2.765248 6.114587 1.404947 2.426287 6.955283 6.703881 0.000000 6.292252 5.680765 5.035702 3.715593 8.240437 8.012529 4.589885 4.266651 3.862378 4.874733 4.637789 2.784601 2.390413 6.109972 2.432254 1.400869 6.693441 6.956406 1.391290 0.000000 3.583222 3.576855 1.223914 1.367144 3.625659 3.746484 4.828882 3.350978 5.277931 3.942650 5.193454 3.122781 4.478853 5.869946 2.473155 5.186510 7.253629 5.835682 3.588010 4.807733 0.000000 3.152721 3.155911 2.353450 2.427789 2.206882 2.277012 6.045150 4.614546 6.673838 5.245675 6.594878 4.526243 5.907060 6.942780 3.785554 6.584813 8.358394 6.629433 4.765873 6.083681 1.489333 0.000000 2.365180 2.370531 3.721714 3.124155 2.127023 1.331215 6.824471 5.546395 7.589110 6.413778 7.718550 5.397472 6.763982 7.705581 4.540557 7.356247 9.048238 7.210910 5.370899 6.733370 2.690689 1.422632 0.000000 4.289998 4.315202 2.838018 3.693740 1.351247 2.237365 6.974444 5.482448 7.586805 5.817859 7.262732 5.580851 6.942431 7.716389 4.959326 7.676268 9.201382 7.348154 5.941158 7.225525 2.506706 1.384163 2.204958 0.000000 1.372916 1.391669 4.639905 3.303524 3.527993 2.403418 6.853628 5.805854 7.670977 6.942426 8.091440 5.496299 6.765044 7.800979 4.573482 7.231967 8.991897 7.273328 5.219878 6.533953 3.463564 2.654023 1.487425 3.676233 0.000000 5.648006 5.691072 5.330380 6.048505 1.456516 2.429922 9.303570 7.868225 10.041381 8.196701 9.691814 8.057680 9.436746 9.887317 7.394071 10.160022 11.379517 9.280316 8.297513 9.631215 4.985214 3.630740 3.516385 2.520031 4.814554 0.000000 5.511873 6.521841 5.068974 4.404838 8.168238 7.933878 1.097016 2.193569 2.191419 3.401528 3.400466 2.554542 2.552138 2.143117 3.638831 3.629155 2.743568 2.749497 4.446503 4.442169 5.032854 6.157789 6.734614 7.228440 6.526877 9.506341 0.000000 4.347285 5.408270 2.752348 2.978387 5.788510 5.823129 2.276805 1.086658 3.315589 2.241882 3.430443 2.207647 3.310277 3.014096 2.946881 4.568297 4.449341 2.977293 4.306668 4.954623 2.907052 3.931563 4.778202 4.769841 5.089548 7.039986 2.667137 0.000000 7.796372 8.345888 5.996875 5.764476 9.821358 9.810149 2.277371 3.317736 1.089508 3.435163 2.247765 3.308803 2.206679 3.020064 4.556989 2.916327 2.992862 4.455575 4.930310 4.275270 6.334544 7.728797 8.597855 8.668767 8.587606 11.122257 2.661866 4.323837 0.000000 6.776513 7.641282 3.586687 4.856135 7.178087 7.604321 2.849413 2.194257 3.190372 1.092620 2.208665 3.420321 3.878707 2.921100 4.499184 5.182915 4.281579 3.507570 5.667677 5.949171 4.455872 5.578783 6.738320 5.977079 7.358861 8.196740 3.873515 2.507549 4.066859 0.000000 6.426899 6.786925 2.473828 3.831879 6.529903 6.985780 3.371192 2.193982 3.215078 1.087327 2.231190 2.646328 3.232334 4.124648 3.403545 4.299057 5.419206 4.809243 4.431541 4.801101 3.453956 4.767602 6.055527 5.218431 6.743594 7.619087 4.245602 2.684994 4.214610 1.760428 0.000000 8.051159 8.290164 4.685378 5.321778 8.821648 9.147392 3.377291 3.212574 2.206098 2.222013 1.091287 3.227150 2.656884 4.132393 4.284449 3.403839 4.834711 5.416549 4.783221 4.423204 5.443454 6.890911 8.078899 7.516360 8.503062 9.973413 4.252190 4.205307 2.707866 2.965322 2.417558 0.000000 8.301378 8.975216 5.327932 6.077294 9.272440 9.589686 2.855907 3.195566 2.197823 2.212028 1.092933 3.878412 3.425076 2.931205 5.184040 4.484962 3.528952 4.286070 5.940966 5.655154 6.098735 7.440687 8.567152 8.024452 8.966148 10.380383 3.878584 4.067508 2.516376 2.366438 2.975224 1.761823 0.000000 7.399982 8.598761 5.456836 6.048307 8.800612 8.984096 2.163774 2.872482 2.871342 2.687829 2.686473 4.146132 4.147284 1.094978 5.469781 5.456995 2.140226 2.139843 6.521599 6.516517 6.018767 7.115576 8.025156 7.730503 8.307703 9.890009 3.052487 3.279194 3.280877 2.283449 3.746189 3.748656 2.289299 0.000000 7.795102 7.596937 6.180917 5.332136 9.856923 9.724846 4.186540 4.493515 2.962684 4.801585 3.900676 3.423491 2.156039 5.486608 3.911621 1.084596 5.657795 6.681759 3.410334 2.165173 6.254814 7.664472 8.438240 8.737920 8.280621 11.229881 4.167771 5.457478 2.835649 5.801555 5.038810 3.640088 4.666634 5.828108 0.000000 8.549823 9.611448 7.219585 7.205117 10.722905 10.709528 2.800435 4.249144 2.865568 4.380281 3.524235 4.924542 4.261057 2.190779 6.265845 5.183016 1.092985 3.487418 6.922817 6.466916 7.591330 8.814068 9.593906 9.662036 9.567665 11.940879 3.135650 4.936729 2.373174 4.449248 5.419108 4.351959 3.095695 2.489317 5.132153 0.000000 8.603260 10.009944 7.695058 7.812627 10.769719 10.748290 3.484356 4.810830 4.181198 5.044074 4.641974 5.829839 5.521037 2.181159 7.134626 6.606487 1.094021 2.747097 8.003856 7.776999 8.040179 9.068559 9.747267 9.825065 9.731907 11.897773 3.738743 5.162716 3.984784 4.774386 6.129915 5.623344 4.117597 2.493962 6.714671 1.766052 0.000000 7.615271 8.901247 7.298413 6.915619 10.331466 10.127317 2.773010 4.282411 3.521873 4.966394 4.536914 4.958427 4.571736 2.179021 6.148715 5.500868 1.095604 2.804521 6.860677 6.583591 7.415550 8.470496 9.013974 9.427244 8.778090 11.582764 2.536470 4.693314 3.273038 5.041943 6.014330 5.472193 4.393362 3.060365 5.619827 1.768336 1.768342 0.000000 5.687645 7.377367 5.981263 5.728796 8.253109 8.021316 2.769774 3.503595 4.283057 4.520912 4.960427 4.559073 4.953517 2.179117 5.505140 6.140721 2.807593 1.095557 6.588555 6.858634 5.958114 6.674929 7.064680 7.529560 6.908439 9.416903 2.540298 3.248546 4.701322 4.368862 5.440466 6.012851 5.047810 3.060065 6.690787 3.823432 3.130193 2.643987 0.000000 7.047024 8.755950 6.531577 6.843174 8.907841 8.902693 3.483745 4.172935 4.812299 4.634142 5.041633 5.515206 5.829151 2.180822 6.620233 7.125583 2.743925 1.094059 7.787417 8.003375 6.795830 7.513736 8.079210 8.125605 8.177485 9.920321 3.741364 3.971925 5.169644 4.101066 5.603126 6.130840 4.782051 2.495476 7.593702 3.745813 2.512156 3.121054 1.768592 0.000000 5.574416 7.196047 4.845212 5.232645 7.185326 7.212287 2.801692 2.854194 4.245922 3.505229 4.367309 4.254162 4.921771 2.190212 5.201939 6.263006 3.486746 1.092706 6.485795 6.931751 5.070692 5.754878 6.377279 6.370991 6.594356 8.243938 3.148030 2.359530 4.939193 3.067022 4.316035 5.404141 4.444580 2.486037 6.937145 4.344302 3.746350 3.821827 1.767914 1.766435 0.000000 5.048984 3.872003 4.400405 2.631971 6.698406 6.354523 5.602528 4.794932 5.334354 5.569002 5.896890 3.383130 3.850190 7.109305 2.152401 3.408041 7.981260 7.586427 1.084946 2.150365 3.775462 4.705282 5.139620 5.869500 4.916624 8.071491 5.398906 5.071306 6.008971 6.559319 5.238826 5.768535 6.980757 7.527308 4.305288 7.986161 9.022991 7.842519 7.415847 8.677271 7.297908 0.000000 7.026755 6.174025 5.971355 4.572549 8.992923 8.718139 5.599849 5.348721 4.783211 5.909289 5.566679 3.868640 3.377854 7.104924 3.407948 2.157975 7.576278 7.981160 2.142098 1.084206 5.693387 6.890852 7.458323 8.027681 7.176685 10.370527 5.392849 6.031344 5.044582 6.991934 5.792176 5.240310 6.551795 7.523321 2.495951 7.280030 8.666798 7.410578 7.838567 9.021124 7.993740 2.465370 0.000000 2.735284 2.053726 3.156116 1.009767 4.574605 4.087543 5.166338 4.060551 5.572134 5.110193 6.010184 3.260120 4.431892 6.436847 2.074091 4.748011 7.581720 6.422727 2.647851 3.999347 2.046676 2.552491 2.784499 3.898835 2.614876 6.018948 4.953885 3.773497 6.477219 5.822746 4.841137 6.242703 7.007456 6.883981 5.811965 7.909520 8.486357 7.459051 6.211292 7.473819 5.888524 2.498476 4.705218 0.000000 5.249493 5.279290 2.741365 4.196992 2.140403 3.256919 7.096578 5.564787 7.601796 5.604299 7.059692 5.764568 7.061703 7.764409 5.289690 7.839640 9.279007 7.494228 6.292707 7.489642 2.876161 2.228482 3.267208 1.077816 4.720567 2.841406 7.503993 4.940539 8.690208 5.680919 4.896569 7.245008 7.759969 7.626738 8.863855 9.678893 9.864790 9.624272 7.824034 8.218783 6.493678 6.307876 8.310645 4.592215 0.000000 2.010768 2.013702 5.652891 4.387351 3.816938 2.504477 7.839568 6.841991 8.712459 7.993244 9.158926 6.566875 7.818403 8.723421 5.641681 8.255031 9.885228 8.085676 6.214320 7.515848 4.500250 3.516738 2.148057 4.303785 1.089966 4.889437 7.460491 6.081472 9.610309 8.362905 7.803065 9.588665 10.015456 9.257417 9.289794 10.509779 10.586770 9.621956 7.658891 8.936925 7.406574 5.829089 8.099057 3.653820 5.380050 0.000000 5.716095 5.761280 6.181392 6.610238 2.063619 2.464771 9.959204 8.577947 10.769161 9.041185 10.529721 8.731680 10.124915 10.543854 8.004500 10.814497 12.004077 9.842991 8.859112 10.223600 5.683562 4.236315 3.753921 3.353744 4.823104 1.087443 10.065172 7.704702 11.836845 9.055345 8.519103 10.849376 11.233582 10.626645 11.895034 12.616074 12.517342 12.130745 9.881605 10.474057 8.828044 8.560483 10.928635 6.435689 3.853460 4.652436 0.000000 6.068249 6.425992 5.461699 6.465370 2.100079 3.141849 9.268112 7.864396 10.072602 8.090668 9.626842 8.250595 9.624404 9.692895 7.756389 10.465744 11.199501 9.016500 8.781671 10.071298 5.297392 4.059206 4.118169 2.859929 5.437578 1.091447 9.545619 6.995545 11.153465 7.946532 7.562444 9.966865 10.219149 9.620123 11.520892 11.793984 11.630237 11.469370 9.234423 9.558405 7.946823 8.675447 10.880697 6.564219 2.931838 5.563662 1.780431 0.000000 6.397901 6.127971 5.554286 6.386258 2.100509 3.142919 9.817468 8.322839 10.414126 8.520100 9.975961 8.408227 9.746444 10.473154 7.681985 10.389182 11.978773 9.989816 8.483411 9.801359 5.303070 4.058945 4.118029 2.862291 5.450225 1.091444 10.075185 7.588384 11.499436 8.571580 7.826413 10.145342 10.691082 10.415908 11.444153 12.465626 12.533351 12.224557 10.178711 10.659523 8.955984 8.195431 10.483385 6.378517 2.939331 5.569379 1.780364 1.784381 0.000000 C20H23F2N3O 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 0 0 336.23030639999973 AuxInfo=1/0/N:7;8;9;10;11;12;13;14;15;16;17;18;19;20;21;22;23;24;25;26;1;2;4;5;6;3;27;28;29;30;31;32;33;34;35;36;37;38;39;40;41;42;43;44;45;46;47;48;49/rA:49nF0F0O0N0N0N0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:2.3653,.0469,2.5981;3.0852,1.9471,1.7527;.7975,-.3445,-1.7873;.8191,1.1359,-.0467;4.7411,-1.1783,-.8209;4.8151,-.6343,.4072;-3.1543,-.7522,.5399;-1.8115,-.665,-.253;-3.8812,.2552,-.4065;-2.2688,-1.0578,-1.6943;-3.6912,-.426,-1.7995;-1.6189,.8347,-.2633;-2.9008,1.4061,-.3547;-3.7822,-2.1417,.7236;-.4978,1.6518,-.1955;-3.084,2.7788,-.3782;-5.1606,-2.0297,1.3915;-2.8568,-3.0492,1.5476;-.6788,3.045,-.2015;-1.952,3.5992,-.2888;1.378,.1761,-.8439;2.7745,-.2244,-.5161;3.6339,-.0528,.6045;3.5409,-.961,-1.4026;3.4199,.6067,1.9204;5.8777,-1.9039,-1.3714;-3.0314,-.3052,1.5341;-.9695,-1.2395,.1237;-4.9107,.5156,-.1629;-2.3045,-2.1451,-1.7961;-1.5669,-.6791,-2.4333;-3.7698,.3013,-2.6093;-4.4608,-1.1847,-1.9626;-3.9236,-2.6119,-.2551;-4.0765,3.2112,-.444;-5.8571,-1.4417,.7884;-5.6037,-3.0184,1.5426;-5.0776,-1.548,2.3721;-2.6624,-2.6116,2.533;-3.3109,-4.0323,1.703;-1.8939,-3.201,1.054;.1912,3.6902,-.139;-2.0629,4.6777,-.2866;1.424,1.6411,.5846;3.2864,-1.3267,-2.384;4.3088,.5604,2.5494;6.6714,-1.882,-.6284;5.5994,-2.9385,-1.5793;6.2226,-1.4248,-2.2895; 0.3293348 0.1171602 0.1069557 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= 727 727 727 727 727 MxSgAt= 49 MxSgA2= 49. 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= 710 RedAO= T EigKep= 1.12D-06 NBF= 710 NBsUse= 706 1.00D-06 EigRej= 5.19D-07 NBFU= 706 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= 727 727 727 727 727 MxSgAt= 49 MxSgA2= 49. 1 1.41131221e+00 -6.48888299e-01 -3.74757812e-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 48 49 9 9 8 7 7 7 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 0.000003330 0.000011753 -0.000017157 -0.000019588 0.000020363 -0.000012055 0.006332309 0.005851333 0.010405608 0.000458259 -0.002071345 -0.002180343 -0.000159587 -0.000009835 -0.000150453 -0.000224436 0.000133352 0.000026983 -0.000001428 0.000012005 -0.000009698 0.000003119 -0.000036324 0.000008140 -0.000020845 -0.000000311 0.000004413 -0.000015194 0.000034654 -0.000072256 0.000005743 -0.000013897 0.000015310 -0.000029947 -0.000129521 -0.000017047 -0.000043870 0.000003038 0.000001122 -0.000004632 0.000004478 -0.000006726 -0.000131710 0.000061918 -0.000019564 0.000026517 -0.000015144 0.000004831 -0.000001467 0.000001147 -0.000005205 0.000000572 0.000001790 -0.000000255 0.000033187 0.000017828 0.000025543 0.000035379 -0.000017599 -0.000002890 -0.005258288 -0.003716721 -0.007396491 -0.001288740 0.000004390 -0.000737510 0.000005201 0.000082104 0.000203302 0.000159329 -0.000136513 -0.000120659 0.000011072 -0.000036339 0.000033834 0.000018167 -0.000017524 -0.000028667 0.000003176 -0.000001207 0.000012131 -0.000015187 0.000013354 -0.000021996 -0.000001882 0.000008455 0.000001057 0.000006021 0.000008327 0.000006246 -0.000045765 -0.000031290 0.000059394 -0.000000892 0.000000403 -0.000003994 -0.000010237 0.000004275 0.000006404 0.000009011 0.000001525 0.000002821 0.000004541 0.000000276 0.000000180 -0.000001051 -0.000001529 -0.000002297 0.000000264 -0.000000807 0.000001019 -0.000001023 0.000001840 0.000000975 -0.000002443 -0.000000218 0.000003446 -0.000000505 -0.000001293 -0.000002765 -0.000001481 0.000002639 -0.000001239 0.000001277 0.000016130 -0.000000092 0.000008554 -0.000005945 -0.000000549 0.000192134 -0.000068431 -0.000022188 -0.000024587 0.000008222 0.000006948 -0.000004246 -0.000001984 -0.000006278 -0.000003984 -0.000004171 0.000004002 -0.000003802 0.000009687 -0.000004667 -0.000000345 0.000002663 0.000009331 0.010405608 0.001405964 (Enter /usr/local/gaussian/gaussian16/g16/l716.exe) Closed 1 1 1 -1215.53075672341 -1215.53076019187 -0.000003468459 -1215.53076009617 0.000000095703 -1215.53076024854 -0.000000152376 -1215.53076025099 -0.000000002449 -1215.53076025180 -0.000000000809 -1215.53076025185 -0.000000000043 -1215.53076025191 -0.000000000067 -1215.53076025198 -0.000000000071 -1215.53076025 9 1.210544897926e+03 -7.635300950173e+03 2.810961439579e+03 Using DIIS extrapolation, IDIIS= 1040. NGot= 4246732800 LenX= 4245623558 LenY= 4245081126 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) PT73484.700S 2024-10-15T15:53:06.000 Mulliken charges: 1 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 F F O N N N 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 -0.079234 -0.110138 -0.275671 0.098821 0.095878 -0.110835 -0.339182 0.195683 0.617363 -0.421283 -0.530971 -0.160368 -0.329073 0.154504 -0.042155 0.049054 -0.552458 -0.546158 -0.036798 -0.173520 -0.729169 1.042786 -0.959958 0.028763 -0.029812 -0.290457 0.133250 0.130870 0.117883 0.134882 0.178522 0.140843 0.141008 0.128331 0.109031 0.132972 0.136652 0.139588 0.141418 0.136562 0.137399 0.112000 0.123327 0.280041 0.148801 0.198079 0.189615 0.172278 0.171035 -0.00000 -24.70620 -24.70063 -19.09214 -14.42633 -14.36494 -14.34808 -10.35705 -10.28756 -10.23928 -10.23417 -10.23149 -10.21407 -10.20376 -10.17241 -10.17125 -10.17063 -10.17012 -10.16954 -10.16931 -10.16880 -10.16763 -10.16696 -10.15900 -10.15377 -10.15264 -10.15187 -1.26979 -1.21199 -1.08987 -1.04713 -0.94123 -0.88866 -0.88514 -0.83301 -0.82284 -0.78842 -0.77087 -0.75532 -0.73558 -0.71580 -0.70239 -0.69006 -0.67858 -0.65834 -0.62465 -0.61268 -0.61006 -0.59626 -0.57597 -0.57333 -0.56312 -0.55483 -0.54591 -0.53984 -0.52433 -0.51282 -0.51026 -0.50125 -0.49259 -0.47600 -0.46026 -0.45344 -0.44831 -0.44595 -0.44168 -0.43731 -0.43110 -0.43025 -0.42954 -0.42680 -0.41939 -0.41824 -0.41106 -0.39509 -0.39224 -0.38159 -0.37227 -0.36899 -0.36508 -0.35580 -0.35067 -0.34139 -0.33732 -0.33275 -0.32408 -0.32158 -0.31837 -0.31081 -0.29896 -0.29134 -0.28875 -0.27883 -0.26674 -0.23443 -0.22905 -0.04290 -0.02766 -0.00876 -0.00598 -0.00251 0.00478 0.01069 0.01505 0.01880 0.02492 0.02646 0.02868 0.03380 0.03677 0.03834 0.04239 0.04801 0.04896 0.05378 0.05514 0.05789 0.06260 0.06470 0.06711 0.07302 0.07402 0.08027 0.08281 0.08850 0.08923 0.09448 0.09730 0.09773 0.10115 0.10439 0.10687 0.11160 0.11469 0.11744 0.12010 0.12206 0.12402 0.12717 0.12983 0.13431 0.13694 0.13984 0.14191 0.14886 0.15080 0.15342 0.15522 0.15766 0.16130 0.16413 0.16728 0.16972 0.17096 0.17104 0.17556 0.17852 0.18082 0.18212 0.18576 0.18727 0.19074 0.19169 0.19326 0.19421 0.19702 0.20032 0.20236 0.20456 0.20640 0.20863 0.21146 0.21285 0.21598 0.21923 0.22048 0.22285 0.22620 0.22734 0.23130 0.23297 0.23512 0.23601 0.23993 0.24189 0.24438 0.24543 0.24770 0.24893 0.25229 0.25585 0.25762 0.26183 0.26482 0.26768 0.26883 0.27105 0.27410 0.27637 0.27899 0.28369 0.28570 0.28830 0.29117 0.29499 0.29838 0.30150 0.30623 0.30646 0.31000 0.31294 0.31518 0.31940 0.32254 0.32427 0.32819 0.33178 0.33341 0.33792 0.34168 0.34361 0.34948 0.35348 0.35703 0.35992 0.36448 0.36723 0.37175 0.37309 0.37766 0.38172 0.38947 0.39067 0.39275 0.40223 0.40541 0.41086 0.41733 0.41783 0.42104 0.42374 0.43175 0.43692 0.44525 0.44590 0.45527 0.45941 0.46363 0.47324 0.48064 0.48325 0.49448 0.50195 0.50461 0.51289 0.51702 0.52169 0.52402 0.52723 0.53730 0.54003 0.54910 0.55102 0.55829 0.56671 0.56844 0.57243 0.57408 0.58613 0.59077 0.59595 0.59877 0.60301 0.60977 0.61313 0.61876 0.62647 0.62703 0.63832 0.64245 0.64670 0.65004 0.65577 0.66199 0.66582 0.66707 0.66848 0.67286 0.67851 0.68845 0.69456 0.69566 0.69940 0.70304 0.70372 0.70795 0.70977 0.71378 0.71456 0.72166 0.72469 0.72571 0.73240 0.73275 0.73853 0.74002 0.74568 0.75461 0.75763 0.76186 0.77201 0.77279 0.77708 0.78023 0.78954 0.78989 0.79468 0.80011 0.80588 0.81303 0.82140 0.82287 0.82710 0.82927 0.84024 0.84210 0.85166 0.85521 0.85987 0.86654 0.87361 0.88245 0.88917 0.89544 0.89816 0.90226 0.91274 0.91510 0.93662 0.94228 0.95398 0.96061 0.96470 0.97357 0.98547 0.99003 0.99415 1.00115 1.00433 1.01797 1.02006 1.02870 1.03260 1.04925 1.05327 1.06587 1.07361 1.07735 1.08143 1.08496 1.10084 1.10166 1.11271 1.11739 1.14754 1.15191 1.15706 1.17717 1.18304 1.18753 1.20480 1.22056 1.22199 1.23139 1.24848 1.25804 1.26231 1.26863 1.29390 1.29966 1.31266 1.31772 1.32530 1.34253 1.35073 1.35786 1.37028 1.37384 1.38445 1.39959 1.40443 1.41028 1.42877 1.43092 1.43430 1.44400 1.45218 1.46396 1.47063 1.47896 1.48162 1.49312 1.49867 1.50263 1.50721 1.51753 1.52037 1.52295 1.53448 1.53654 1.54577 1.55298 1.55794 1.56318 1.56924 1.57266 1.57439 1.58373 1.58768 1.59124 1.59932 1.60462 1.61040 1.61259 1.61704 1.62726 1.63008 1.63620 1.64213 1.65223 1.65599 1.66513 1.66935 1.68106 1.68315 1.68597 1.70460 1.70714 1.71124 1.72540 1.73134 1.73641 1.73766 1.74379 1.75626 1.76102 1.76543 1.77420 1.78065 1.78468 1.78584 1.79409 1.80139 1.81917 1.82285 1.83089 1.83628 1.84081 1.84717 1.85109 1.85968 1.86573 1.87277 1.88435 1.88620 1.89666 1.91237 1.91632 1.92331 1.93674 1.94385 1.94834 1.94989 1.95800 1.96827 1.97026 1.98481 1.99391 1.99988 2.00455 2.00617 2.01242 2.02717 2.03624 2.04254 2.05181 2.06014 2.07513 2.08437 2.09415 2.10015 2.10875 2.11452 2.12048 2.13053 2.13523 2.14063 2.16348 2.16605 2.17480 2.18118 2.18852 2.20694 2.22335 2.22961 2.24993 2.25917 2.27263 2.28478 2.28842 2.29846 2.30997 2.32249 2.33261 2.33727 2.34731 2.35702 2.37078 2.37956 2.40164 2.41234 2.42086 2.43125 2.43563 2.44323 2.45124 2.45521 2.47082 2.47652 2.48873 2.50063 2.50591 2.51671 2.52005 2.53684 2.54292 2.55586 2.56191 2.58145 2.59461 2.60503 2.60864 2.61683 2.61899 2.62378 2.63862 2.64471 2.64793 2.65767 2.66248 2.68561 2.69064 2.70384 2.70926 2.72026 2.72414 2.73858 2.74189 2.74762 2.74969 2.75438 2.76892 2.77403 2.78214 2.78978 2.79538 2.79817 2.81330 2.82018 2.83103 2.84353 2.85651 2.86820 2.87583 2.88333 2.89924 2.90724 2.91134 2.91709 2.92766 2.93349 2.94240 2.95472 2.96225 2.97581 2.97980 2.99713 3.00565 3.01214 3.02487 3.03682 3.04162 3.04851 3.06707 3.06936 3.07521 3.07963 3.10325 3.14250 3.15257 3.16265 3.17584 3.18423 3.21708 3.22440 3.24298 3.27636 3.29315 3.29986 3.33479 3.36192 3.38884 3.39828 3.41064 3.41704 3.44066 3.46309 3.49753 3.50800 3.56409 3.58308 3.60339 3.63323 3.64865 3.68094 3.68602 3.68801 3.70251 3.73997 3.76841 3.77584 3.79239 3.80382 3.81079 3.82525 3.83021 3.84482 3.84561 3.84661 3.85629 3.89290 3.93815 3.97691 3.98297 3.98854 3.99461 4.01195 4.04045 4.05375 4.06436 4.07688 4.11126 4.13302 4.13675 4.18144 4.20783 4.25900 4.29033 4.30812 4.33555 4.36648 4.37590 4.39239 4.44214 4.58877 4.76435 4.87316 4.87747 4.90979 4.97785 5.12103 5.14890 5.33925 5.43224 5.84440 6.35384 6.39177 6.41302 6.46479 6.56854 6.66975 23.62288 23.66047 23.75107 23.84875 23.86623 23.89606 23.89790 23.90637 23.94729 23.95911 23.96983 23.98408 23.99599 23.99951 24.02635 24.10221 24.11154 24.11411 24.14789 24.21522 35.48846 35.56322 35.66725 50.06436 66.75977 66.82790 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 48 49 F F O N N N 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 -0.079305 -0.110195 -0.273175 0.095586 0.095725 -0.111046 -0.340754 0.194570 0.617660 -0.420299 -0.530836 -0.160016 -0.328592 0.154688 -0.042329 0.048596 -0.552760 -0.546041 -0.035772 -0.173617 -0.720481 1.036240 -0.960743 0.031593 -0.031123 -0.290449 0.133390 0.130728 0.117971 0.134913 0.177976 0.140859 0.141069 0.128285 0.108966 0.133073 0.136648 0.139642 0.141439 0.136581 0.137266 0.112022 0.123278 0.279664 0.148397 0.197980 0.189608 0.172082 0.171039 -0.00000 1.40134510e+00 -6.56766702e-01 -3.90300930e-01 ./ancestor::cml:module[@dictRef='cc:finalization']/cml:molecule[@id='mol9999'] 3.5619 -1.6693 -0.9920 4.0568 -124.4489 -148.3281 -158.3003 -10.0019 -9.9768 3.9752 19.2436 -4.6357 -14.6079 -10.0019 -9.9768 3.9752 194.2815 10.1695 23.4462 32.2931 -58.0583 -57.1579 53.0714 -9.3091 -6.3400 24.8615 -9242.2820 -2731.1395 -1541.2236 -391.1452 -232.1081 -66.3977 46.2519 39.8020 62.7010 -2014.5426 -1812.5324 -765.1064 148.1864 -26.3172 -13.0966 (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A) (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A) (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A) (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(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 -1215.5307603 3.592E-9 9.02E-6 14.310738,-3.4479867,-10.8627513,-7.4345359,-7.4156728,2.950689 C01 [X(C20H23F2N3O1)] 1.4015085 -0.6565617 -0.3900589 0.000002585 -0.000002865 -0.000005853 -0.000001361 -0.000007985 -0.000010634 0.000005816 -0.000015542 0.000014166 -0.000030073 0.000010573 0.000027375 -0.000002559 -0.000001658 0.000021463 0.000025854 0.000004449 -0.000002269 -0.000001062 -0.000002760 -0.000000121 -0.000002849 -0.000002726 0.000004138 0.000002583 0.000000293 -0.000002825 -0.000001504 0.000001379 0.000002452 -0.000000810 0.000001329 0.000000061 -0.000005405 0.000003530 -0.000009647 0.000002037 -0.000002557 0.000004390 -0.000002631 0.000001390 -0.000000427 0.000017910 -0.000006388 -0.000002788 -0.000000004 0.000001605 0.000000360 -0.000000760 -0.000001459 -0.000000300 -0.000000096 0.000000585 -0.000001212 -0.000003988 -0.000000620 0.000005248 0.000001466 -0.000001870 0.000001515 0.000040659 0.000018440 -0.000047708 -0.000006110 -0.000001305 0.000021248 -0.000015068 -0.000010044 -0.000023017 -0.000029575 0.000004044 -0.000004774 -0.000013493 0.000010489 0.000004559 0.000000716 0.000006603 0.000003560 0.000000154 -0.000000602 0.000000141 -0.000004339 -0.000000773 0.000000475 0.000001237 0.000000853 -0.000000239 0.000000841 0.000000727 -0.000000164 -0.000003386 0.000000268 0.000000962 0.000000363 0.000000122 -0.000000583 -0.000000219 -0.000000335 0.000000048 0.000001064 -0.000000453 -0.000001142 0.000000365 0.000000645 0.000000626 -0.000000251 -0.000001329 -0.000000112 -0.000000395 -0.000000305 -0.000000445 -0.000000425 -0.000000311 -0.000000412 -0.000000418 -0.000000461 -0.000000933 -0.000000224 -0.000000583 -0.000001336 0.000000488 0.000000581 -0.000001019 0.000000127 0.000001462 0.000001546 0.000000447 0.000000051 0.000000229 0.000019696 -0.000004566 0.000003134 0.000000638 -0.000001073 0.000002328 0.000001514 -0.000004387 -0.000002352 -0.000001500 -0.000007042 0.000003206 -0.000004954 0.000005010 -0.000006709 0.000006896 0.000005573 0.000003791 336.23030639999973 AuxInfo=1/0/N:7;8;9;10;11;12;13;14;15;16;17;18;19;20;21;22;23;24;25;26;1;2;4;5;6;3;27;28;29;30;31;32;33;34;35;36;37;38;39;40;41;42;43;44;45;46;47;48;49/rA:49nF0F0O0N0N0N0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:2.3656,.0487,2.5984;3.0851,1.9487,1.7522;.7979,-.345,-1.7869;.8191,1.1362,-.0468;4.7417,-1.1773,-.8202;4.8156,-.6328,.4077;-3.1538,-.7528,.5406;-1.811,-.6655,-.2524;-3.881,.2541,-.4062;-2.2682,-1.059,-1.6935;-3.6908,-.4276,-1.799;-1.6188,.8342,-.2633;-2.9009,1.4053,-.3549;-3.7813,-2.1423,.7249;-.4979,1.6517,-.1958;-3.0844,2.7779,-.3789;-5.1597,-2.0304,1.3928;-2.8557,-3.0492,1.5492;-.6793,3.0448,-.2024;-1.9526,3.5986,-.2899;1.3782,.1762,-.8437;2.7748,-.2238,-.5157;3.6343,-.0516,.6048;3.5415,-.9606,-1.402;3.4201,.6085,1.9204;5.8785,-1.9028,-1.3704;-3.031,-.3053,1.5346;-.9689,-1.2396,.1245;-4.9105,.5144,-.1627;-2.3036,-2.1463,-1.7949;-1.5665,-.6804,-2.4327;-3.7696,.2993,-2.609;-4.4602,-1.1866,-1.9617;-3.9226,-2.6129,-.2537;-4.077,3.21,-.4449;-5.8564,-1.4429,.7894;-5.6026,-3.0192,1.5442;-5.0769,-1.5483,2.3731;-2.6613,-2.6112,2.5344;-3.3095,-4.0324,1.705;-1.8927,-3.201,1.0556;.1905,3.6903,-.1402;-2.0638,4.6771,-.2882;1.4239,1.6418,.5842;3.287,-1.3267,-2.3832;4.309,.5626,2.5494;6.6722,-1.8804,-.6274;5.6004,-2.9377,-1.5779;6.2232,-1.4241,-2.2887; Gaussian 16 GINC-HAMILTON09 APULGAR Optimization isopyrazam_anti CONF12 gas EM64L-G16RevC.01 141 C1[X(C20H23F2N3O)] 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 0 0 336.23030639999973 AuxInfo=1/0/N:7;8;9;10;11;12;13;14;15;16;17;18;19;20;21;22;23;24;25;26;1;2;4;5;6;3;27;28;29;30;31;32;33;34;35;36;37;38;39;40;41;42;43;44;45;46;47;48;49/rA:49nF0F0O0N0N0N0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:2.3656,.0487,2.5984;3.0851,1.9487,1.7522;.7979,-.345,-1.7869;.8191,1.1362,-.0468;4.7417,-1.1773,-.8202;4.8156,-.6328,.4077;-3.1538,-.7528,.5406;-1.811,-.6655,-.2524;-3.881,.2541,-.4062;-2.2682,-1.059,-1.6935;-3.6908,-.4276,-1.799;-1.6188,.8342,-.2633;-2.9009,1.4053,-.3549;-3.7813,-2.1423,.7249;-.4979,1.6517,-.1958;-3.0844,2.7779,-.3789;-5.1597,-2.0304,1.3928;-2.8557,-3.0492,1.5492;-.6793,3.0448,-.2024;-1.9526,3.5986,-.2899;1.3782,.1762,-.8437;2.7748,-.2238,-.5157;3.6343,-.0516,.6048;3.5415,-.9606,-1.402;3.4201,.6085,1.9204;5.8785,-1.9028,-1.3704;-3.031,-.3053,1.5346;-.9689,-1.2396,.1245;-4.9105,.5144,-.1627;-2.3036,-2.1463,-1.7949;-1.5665,-.6804,-2.4327;-3.7696,.2993,-2.609;-4.4602,-1.1866,-1.9617;-3.9226,-2.6129,-.2537;-4.077,3.21,-.4449;-5.8564,-1.4429,.7894;-5.6026,-3.0192,1.5442;-5.0769,-1.5483,2.3731;-2.6613,-2.6112,2.5344;-3.3095,-4.0324,1.705;-1.8927,-3.201,1.0556;.1905,3.6903,-.1402;-2.0638,4.6771,-.2882;1.4239,1.6418,.5842;3.287,-1.3267,-2.3832;4.309,.5626,2.5494;6.6722,-1.8804,-.6274;5.6004,-2.9377,-1.5779;6.2232,-1.4241,-2.2887; Optimization isopyrazam_anti CONF12 gas 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 48 49 19 19 16 14 14 14 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 18.9984033 18.9984033 15.9949146 14.0030740 14.0030740 14.0030740 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 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 1 0 2 2 2 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 6.7500000 6.7500000 5.6000000 4.5500000 4.5500000 4.5500000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 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 (Enter /usr/local/gaussian/gaussian16/g16/l101.exe) Structure from the checkpoint file: "opt-b3lyp-pople.chk" Berny optimization. R1 R2 R3 R4 R5 R6 R7 R8 R9 R10 R11 R12 R13 R14 R15 R16 R17 R18 R19 R20 R21 R22 R23 R24 R25 R26 R27 R28 R29 R30 R31 R32 R33 R34 R35 R36 R37 R38 R39 R40 R41 R42 R43 R44 R45 R46 R47 R48 R49 R50 R51 R52 1 2 3 4 4 4 5 5 5 6 7 7 7 7 8 8 8 9 9 9 10 10 10 11 11 12 12 13 14 14 14 15 16 16 17 17 17 18 18 18 19 19 20 21 22 22 23 24 25 26 26 26 25 25 21 15 21 44 6 24 26 23 8 9 14 27 10 12 28 11 13 29 11 30 31 32 33 13 15 16 17 18 34 19 20 35 36 37 38 39 40 41 20 42 43 22 23 24 25 45 46 47 48 49 1.3729 1.3917 1.2239 1.4221 1.3671 1.0098 1.3453 1.3512 1.4565 1.3312 1.5619 1.5617 1.5357 1.097 1.5622 1.5121 1.0867 1.5623 1.5128 1.0895 1.5599 1.0926 1.0873 1.0913 1.0929 1.4065 1.3889 1.385 1.5358 1.5358 1.095 1.4049 1.4009 1.0846 1.093 1.094 1.0956 1.0956 1.0941 1.0927 1.3913 1.0849 1.0842 1.4893 1.4226 1.3842 1.4874 1.0778 1.09 1.0874 1.0914 1.0914 calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically A1 A2 A3 A4 A5 A6 A7 A8 A9 A10 A11 A12 A13 A14 A15 A16 A17 A18 A19 A20 A21 A22 A23 A24 A25 A26 A27 A28 A29 A30 A31 A32 A33 A34 A35 A36 A37 A38 A39 A40 A41 A42 A43 A44 A45 A46 A47 A48 A49 A50 A51 A52 A53 A54 A55 A56 A57 A58 A59 A60 A61 A62 A63 A64 A65 A66 A67 A68 A69 A70 A71 A72 A73 A74 A75 A76 A77 A78 A79 A80 A81 A82 A83 A84 A85 A86 A87 A88 A89 A90 A91 A92 A93 A94 A95 A96 A97 15 15 21 6 6 24 5 8 8 8 9 9 14 7 7 7 10 10 12 7 7 7 11 11 13 8 8 8 11 11 30 9 9 9 10 10 32 8 8 13 9 9 12 7 7 7 17 17 18 4 4 12 13 13 20 14 14 14 36 36 37 14 14 14 39 39 40 15 15 20 16 16 19 3 3 4 21 21 23 6 6 22 5 5 22 1 1 1 2 2 23 5 5 5 47 47 48 4 4 4 5 5 5 6 7 7 7 7 7 7 8 8 8 8 8 8 9 9 9 9 9 9 10 10 10 10 10 10 11 11 11 11 11 11 12 12 12 13 13 13 14 14 14 14 14 14 15 15 15 16 16 16 17 17 17 17 17 17 18 18 18 18 18 18 19 19 19 20 20 20 21 21 21 22 22 22 23 23 23 24 24 24 25 25 25 25 25 25 26 26 26 26 26 26 21 44 44 24 26 26 23 9 14 27 14 27 27 10 12 28 12 28 28 11 13 29 13 29 29 11 30 31 30 31 31 10 32 33 32 33 33 13 15 15 12 16 16 17 18 34 18 34 34 12 19 19 20 35 35 36 37 38 37 38 38 39 40 41 40 41 41 20 42 42 19 43 43 4 22 22 23 24 24 22 25 25 22 45 45 2 23 46 23 46 46 47 48 49 48 49 49 124.9028 116.0166 118.0932 112.1381 120.2326 127.629 105.2519 93.2397 117.566 109.9416 117.7632 109.7865 107.8177 101.6894 99.6924 117.4255 106.284 114.4392 115.3423 101.6803 99.6918 117.2933 106.4664 114.7422 115.0145 103.142 110.2292 110.518 111.5296 113.6814 107.7153 103.1401 111.2409 110.4885 112.6845 111.7796 107.5328 106.6957 133.3125 119.9904 106.4889 131.89 121.6207 110.6707 110.6372 109.5324 110.5203 107.7071 107.6747 122.6233 118.6563 118.6288 118.1936 121.1442 120.6513 111.7909 110.9577 110.6931 107.7087 107.798 107.7242 110.7004 110.9254 111.7591 107.7471 107.784 107.7601 120.8774 119.0831 120.0394 120.6767 120.0019 119.3213 123.6605 119.997 116.3417 135.0271 121.4237 103.54 111.5095 116.9022 131.5585 107.5595 123.1726 129.2676 105.5156 111.4981 108.9167 110.8014 107.8561 111.9816 107.5376 110.1959 110.2307 109.5963 109.5905 109.6586 calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically D1 D2 D3 D4 D5 D6 D7 D8 D9 D10 D11 D12 D13 D14 D15 D16 D17 D18 D19 D20 D21 D22 D23 D24 D25 D26 D27 D28 D29 D30 D31 D32 D33 D34 D35 D36 D37 D38 D39 D40 D41 D42 D43 D44 D45 D46 D47 D48 D49 D50 D51 D52 D53 D54 D55 D56 D57 D58 D59 D60 D61 D62 D63 D64 D65 D66 D67 D68 D69 D70 D71 D72 D73 D74 D75 D76 D77 D78 D79 D80 D81 D82 D83 D84 D85 D86 D87 D88 D89 D90 D91 D92 D93 D94 D95 D96 D97 D98 D99 D100 D101 D102 D103 D104 D105 D106 D107 D108 D109 D110 D111 D112 D113 D114 D115 D116 D117 D118 D119 D120 D121 D122 D123 D124 D125 D126 D127 D128 D129 D130 D131 D132 D133 D134 D135 D136 D137 D138 D139 D140 D141 D142 D143 D144 D145 D146 D147 D148 21 21 44 44 15 15 44 44 24 26 6 6 26 26 6 6 6 24 24 24 5 5 9 9 9 14 14 14 27 27 27 8 8 8 14 14 14 27 27 27 8 8 8 9 9 9 27 27 27 7 7 7 12 12 12 28 28 28 7 7 10 10 28 28 7 7 7 13 13 13 29 29 29 7 7 11 11 29 29 8 8 8 30 30 30 31 31 31 8 8 15 15 8 8 13 13 9 9 12 12 7 7 7 18 18 18 34 34 34 7 7 7 17 17 17 34 34 34 4 4 12 12 13 13 35 35 15 15 42 42 3 3 4 4 21 21 24 24 21 21 23 23 6 6 6 22 22 22 4 4 4 4 4 4 4 4 5 5 5 5 5 5 5 5 5 5 5 5 6 6 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 10 10 10 10 10 10 10 10 10 12 12 12 12 12 12 12 12 13 13 13 13 14 14 14 14 14 14 14 14 14 14 14 14 14 14 14 14 14 14 15 15 15 15 16 16 16 16 19 19 19 19 21 21 21 21 22 22 22 22 22 22 22 22 23 23 23 23 23 23 15 15 15 15 21 21 21 21 6 6 24 24 24 24 26 26 26 26 26 26 23 23 8 8 8 8 8 8 8 8 8 9 9 9 9 9 9 9 9 9 14 14 14 14 14 14 14 14 14 10 10 10 10 10 10 10 10 10 12 12 12 12 12 12 11 11 11 11 11 11 11 11 11 13 13 13 13 13 13 11 11 11 11 11 11 11 11 11 13 13 13 13 15 15 15 15 16 16 16 16 17 17 17 17 17 17 17 17 17 18 18 18 18 18 18 18 18 18 19 19 19 19 20 20 20 20 20 20 20 20 22 22 22 22 23 23 23 23 24 24 24 24 25 25 25 25 25 25 12 19 12 19 3 22 3 22 23 23 22 45 22 45 47 48 49 47 48 49 22 25 10 12 28 10 12 28 10 12 28 11 13 29 11 13 29 11 13 29 17 18 34 17 18 34 17 18 34 11 30 31 11 30 31 11 30 31 13 15 13 15 13 15 10 32 33 10 32 33 10 32 33 12 16 12 16 12 16 9 32 33 9 32 33 9 32 33 9 16 9 16 4 19 4 19 20 35 20 35 36 37 38 36 37 38 36 37 38 39 40 41 39 40 41 39 40 41 20 42 20 42 19 43 19 43 16 43 16 43 23 24 23 24 6 25 6 25 5 45 5 45 1 2 46 1 2 46 52.5485 -130.9802 -139.082 37.3894 0.3123 179.9953 -167.8368 11.8462 -0.2886 179.8966 0.3542 -179.4285 -179.8479 0.3694 -0.0537 119.3547 -119.4748 -179.837 -60.4286 60.7419 0.1126 178.3578 -56.1517 52.8636 178.1619 67.6183 176.6336 -58.068 -168.5611 -59.5458 65.7525 56.1695 -53.0353 -177.8437 -67.4455 -176.6503 58.5413 168.7143 59.5096 -65.2988 -174.0815 63.0686 -55.4763 -63.7866 173.3635 54.8186 61.0352 -61.8147 179.6403 35.8335 -83.3537 157.6884 -68.0263 172.7864 53.8285 163.471 44.2838 -74.6741 -34.6928 144.8599 70.6161 -109.8312 -161.413 18.1396 -35.8895 -156.929 83.7124 68.0186 -53.0209 -172.3795 -163.5399 75.4206 -43.938 35.0842 -144.6811 -70.2617 109.973 161.4563 -18.309 0.0308 120.0838 -118.6764 118.3133 -121.6337 -0.3939 -119.6669 0.3861 121.6259 -0.2369 179.5579 -179.8611 -0.0662 -2.1591 -178.6314 177.3462 0.8739 178.8394 0.0338 -0.8964 -179.7019 60.8506 -178.8898 -59.3412 -176.2316 -55.972 63.5766 -58.857 61.4026 -179.0488 58.999 178.56 -61.1588 -63.9383 55.6228 175.904 178.6672 -61.7718 58.5095 -177.3347 2.7946 -0.7205 179.4089 1.0495 -178.9109 179.8612 -0.0992 -0.2519 179.7088 179.6175 -0.4218 -165.0143 13.6753 15.2904 -166.02 178.941 1.0325 0.0912 -177.8173 -179.3055 0.4595 -0.2581 179.5069 -119.6767 123.1181 2.6494 58.1413 -59.064 -179.5326 calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|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. -0.00065 0.00152 0.00298 0.00318 0.00319 0.00455 0.00522 0.00573 0.00770 0.00803 0.00941 0.01109 0.01437 0.01453 0.01541 0.01704 0.01741 0.01834 0.01950 0.01998 0.02152 0.02294 0.02545 0.02705 0.02797 0.02891 0.03313 0.03647 0.03747 0.03831 0.03972 0.04015 0.04285 0.04315 0.04579 0.04592 0.04653 0.04674 0.04734 0.04748 0.04832 0.04855 0.05011 0.05331 0.05803 0.05839 0.06050 0.06085 0.06893 0.07308 0.07803 0.08649 0.08993 0.09060 0.09939 0.10678 0.10937 0.11554 0.11785 0.11882 0.12197 0.12304 0.12439 0.13151 0.13328 0.13715 0.13801 0.14307 0.14434 0.15084 0.15139 0.15865 0.16544 0.17414 0.17791 0.18176 0.18322 0.18703 0.18900 0.19367 0.19578 0.19846 0.20000 0.20446 0.20694 0.21745 0.21936 0.22021 0.22908 0.23601 0.24330 0.24987 0.25768 0.26146 0.27766 0.28104 0.29553 0.30191 0.30573 0.31029 0.31386 0.32389 0.32697 0.32721 0.32821 0.32922 0.33005 0.33042 0.33250 0.33357 0.33512 0.33762 0.33918 0.33940 0.34063 0.34072 0.34151 0.34311 0.34654 0.34790 0.34890 0.35248 0.35513 0.35604 0.35936 0.37198 0.37404 0.38953 0.39706 0.41763 0.42496 0.43134 0.44729 0.45466 0.45872 0.47506 0.49083 0.52125 0.55552 0.56472 0.79088 Angle between quadratic step and forces= 80.61 degrees. 1 2 3 0.00274840 0.00001794 0.00000000 0.00001727 0.00000012 0.00000012 R1 R2 R3 R4 R5 R6 R7 R8 R9 R10 R11 R12 R13 R14 R15 R16 R17 R18 R19 R20 R21 R22 R23 R24 R25 R26 R27 R28 R29 R30 R31 R32 R33 R34 R35 R36 R37 R38 R39 R40 R41 R42 R43 R44 R45 R46 R47 R48 R49 R50 R51 R52 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 A86 A87 A88 A89 A90 A91 A92 A93 A94 A95 A96 A97 D1 D2 D3 D4 D5 D6 D7 D8 D9 D10 D11 D12 D13 D14 D15 D16 D17 D18 D19 D20 D21 D22 D23 D24 D25 D26 D27 D28 D29 D30 D31 D32 D33 D34 D35 D36 D37 D38 D39 D40 D41 D42 D43 D44 D45 D46 D47 D48 D49 D50 D51 D52 D53 D54 D55 D56 D57 D58 D59 D60 D61 D62 D63 D64 D65 D66 D67 D68 D69 D70 D71 D72 D73 D74 D75 D76 D77 D78 D79 D80 D81 D82 D83 D84 D85 D86 D87 D88 D89 D90 D91 D92 D93 D94 D95 D96 D97 D98 D99 D100 D101 D102 D103 D104 D105 D106 D107 D108 D109 D110 D111 D112 D113 D114 D115 D116 D117 D118 D119 D120 D121 D122 D123 D124 D125 D126 D127 D128 D129 D130 D131 D132 D133 D134 D135 D136 D137 D138 D139 D140 D141 D142 D143 D144 D145 D146 D147 D148 2.59443 2.62987 2.31286 2.68744 2.58353 1.90818 2.54227 2.55349 2.75242 2.51563 2.95156 2.95122 2.90212 2.07306 2.95216 2.85737 2.05349 2.95224 2.85876 2.05887 2.94785 2.06475 2.05475 2.06223 2.06534 2.65791 2.62472 2.61732 2.90222 2.90230 2.06921 2.65496 2.64726 2.04959 2.06544 2.06740 2.07039 2.07030 2.06747 2.06491 2.62916 2.05025 2.04885 2.81443 2.68839 2.61569 2.81083 2.03678 2.05974 2.05497 2.06254 2.06253 2.17997 2.02487 2.06112 1.95718 2.09845 2.22755 1.83699 1.62734 2.05191 1.91884 2.05536 1.91614 1.88177 1.77481 1.73996 2.04946 1.85501 1.99734 2.01310 1.77466 1.73995 2.04715 1.85819 2.00263 2.00738 1.80017 1.92386 1.92890 1.94656 1.98411 1.87999 1.80013 1.94152 1.92839 1.96672 1.95092 1.87680 1.86219 2.32674 2.09423 1.85858 2.30191 2.12268 1.93157 1.93098 1.91170 1.92894 1.87984 1.87928 2.14018 2.07094 2.07046 2.06287 2.11437 2.10576 1.95112 1.93658 1.93196 1.87987 1.88143 1.88014 1.93209 1.93601 1.95056 1.88054 1.88118 1.88077 2.10971 2.07839 2.09508 2.10621 2.09443 2.08255 2.15828 2.09434 2.03055 2.35667 2.11924 1.80711 1.94621 2.04033 2.29613 1.87727 2.14977 2.25614 1.84160 1.94601 1.90095 1.93385 1.88244 1.95445 1.87689 1.92328 1.92389 1.91282 1.91271 1.91390 0.91714 -2.28604 -2.42744 0.65257 0.00545 3.14151 -2.92930 0.20675 -0.00504 3.13979 0.00618 -3.13162 -3.13894 0.00645 -0.00094 2.08313 -2.08523 -3.13875 -1.05468 1.06015 0.00197 3.11293 -0.98003 0.92264 3.10951 1.18016 3.08284 -1.01348 -2.94195 -1.03927 1.14760 0.98034 -0.92564 -3.10396 -1.17715 -3.08313 1.02174 2.94462 1.03864 -1.13968 -3.03830 1.10075 -0.96824 -1.11329 3.02576 0.95676 1.06526 -1.07887 3.13531 0.62541 -1.45480 2.75218 -1.18728 3.01569 0.93948 2.85311 0.77290 -1.30331 -0.60550 2.52828 1.23248 -1.91692 -2.81719 0.31660 -0.62639 -2.73893 1.46106 1.18715 -0.92539 -3.00859 -2.85431 1.31634 -0.76686 0.61234 -2.52516 -1.22630 1.91939 2.81794 -0.31955 0.00054 2.09586 -2.07129 2.06496 -2.12291 -0.00688 -2.08858 0.00674 2.12277 -0.00413 3.13388 -3.13917 -0.00116 -0.03768 -3.11771 3.09527 0.01525 3.12134 0.00059 -0.01565 -3.13639 1.06204 -3.12222 -1.03570 -3.07582 -0.97690 1.10962 -1.02725 1.07168 -3.12499 1.02973 3.11646 -1.06742 -1.11593 0.97080 3.07010 3.11833 -1.07812 1.02118 -3.09507 0.04877 -0.01257 3.13128 0.01832 -3.12258 3.13917 -0.00173 -0.00440 3.13651 3.13492 -0.00736 -2.88004 0.23868 0.26687 -2.89759 3.12311 0.01802 0.00159 -3.10350 -3.12947 0.00802 -0.00450 3.13299 -2.08875 2.14882 0.04624 1.01476 -1.03086 -3.13344 -0.00000 -0.00001 -0.00001 -0.00000 0.00002 0.00001 -0.00001 0.00002 -0.00001 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 0.00002 -0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00003 -0.00004 -0.00002 -0.00001 -0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00003 0.00000 -0.00003 0.00001 -0.00001 0.00000 -0.00002 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00001 0.00001 -0.00000 0.00000 -0.00001 0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00003 -0.00002 -0.00001 0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 0.00001 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00004 0.00001 -0.00005 -0.00003 0.00003 0.00001 0.00002 0.00002 -0.00004 -0.00001 0.00001 0.00001 0.00001 -0.00001 0.00001 -0.00002 0.00001 -0.00000 0.00000 -0.00001 0.00000 0.00000 -0.00000 0.00000 0.00001 0.00000 0.00001 0.00000 -0.00001 0.00001 -0.00001 0.00001 -0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 0.00001 0.00001 0.00001 0.00001 0.00001 0.00001 -0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00001 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00001 0.00001 -0.00001 -0.00001 0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00003 0.00000 -0.00002 -0.00006 0.00007 0.00002 -0.00002 0.00005 -0.00001 0.00002 0.00001 -0.00000 0.00000 0.00000 -0.00001 0.00002 -0.00001 -0.00001 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00002 0.00000 0.00000 0.00000 0.00000 0.00001 -0.00001 -0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00001 0.00000 0.00000 -0.00007 -0.00008 -0.00003 -0.00002 -0.00001 0.00000 0.00000 -0.00008 0.00008 0.00008 0.00005 -0.00018 0.00003 -0.00003 0.00001 -0.00005 -0.00001 -0.00002 0.00000 0.00002 0.00000 0.00000 -0.00000 0.00002 -0.00002 -0.00001 0.00001 0.00001 -0.00000 -0.00001 -0.00000 0.00003 0.00000 -0.00002 0.00000 0.00001 0.00000 0.00001 -0.00002 -0.00001 -0.00001 0.00002 -0.00001 -0.00000 -0.00001 0.00000 -0.00002 0.00001 0.00000 0.00001 -0.00002 0.00001 0.00002 -0.00002 0.00000 -0.00000 0.00001 -0.00001 0.00004 -0.00001 -0.00003 -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 0.00002 -0.00000 -0.00002 0.00000 0.00000 -0.00000 0.00009 0.00006 -0.00014 -0.00011 0.00008 0.00002 0.00004 0.00005 -0.00009 -0.00004 -0.00002 0.00006 0.00004 0.00003 0.00002 -0.00008 0.00002 -0.00002 0.00000 -0.00039 0.00039 0.00008 -0.00009 0.00000 0.00012 0.00003 -0.00023 -0.00031 -0.00029 0.00009 0.00004 0.00042 0.00029 -0.00221 -0.00027 -0.00004 0.00246 0.00269 0.01446 0.01434 0.01434 0.01154 0.01142 0.01142 -0.00020 -0.00030 -0.00001 -0.00001 0.00000 0.00000 -0.00000 0.00001 -0.00001 -0.00001 0.00000 0.00002 -0.00001 0.00002 0.00003 0.00000 0.00003 0.00002 -0.00001 0.00001 0.00006 0.00006 0.00008 0.00005 0.00005 0.00008 0.00007 0.00007 0.00009 -0.00000 -0.00002 -0.00002 -0.00002 -0.00004 -0.00004 -0.00003 -0.00005 -0.00005 0.00004 -0.00011 0.00004 -0.00011 0.00005 -0.00010 -0.00002 -0.00002 -0.00003 -0.00002 -0.00002 -0.00003 -0.00002 -0.00002 -0.00003 0.00005 0.00011 0.00005 0.00011 0.00003 0.00010 0.00001 0.00003 0.00003 0.00003 0.00005 0.00005 0.00002 0.00003 0.00003 -0.00005 -0.00011 0.00007 0.00001 0.00011 0.00020 -0.00005 0.00004 -0.00011 -0.00008 -0.00003 -0.00000 0.00012 0.00011 0.00011 0.00010 0.00010 0.00010 0.00010 0.00009 0.00009 0.00010 0.00010 0.00011 0.00009 0.00009 0.00009 0.00008 0.00009 0.00009 0.00002 0.00003 -0.00006 -0.00005 0.00001 0.00001 -0.00002 -0.00002 0.00003 0.00003 0.00003 0.00003 0.00081 0.00044 0.00045 0.00008 -0.00028 -0.00017 0.00004 0.00016 0.00041 0.00015 0.00014 -0.00012 -0.00007 -0.00009 -0.00004 -0.00019 -0.00021 -0.00016 -0.00003 0.00000 -0.00002 -0.00006 0.00007 0.00002 -0.00002 0.00005 -0.00001 0.00001 0.00001 -0.00000 0.00000 0.00000 -0.00001 0.00002 -0.00001 -0.00001 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00002 0.00000 0.00000 0.00000 0.00000 0.00001 -0.00001 -0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00001 0.00000 0.00000 -0.00007 -0.00008 -0.00003 -0.00002 -0.00001 0.00000 0.00000 -0.00008 0.00008 0.00008 0.00005 -0.00018 0.00003 -0.00003 0.00000 -0.00005 -0.00001 -0.00002 0.00000 0.00002 0.00000 0.00000 -0.00000 0.00002 -0.00002 -0.00001 0.00001 0.00001 -0.00000 -0.00001 -0.00000 0.00003 0.00000 -0.00002 0.00000 0.00001 0.00000 0.00001 -0.00002 -0.00001 -0.00001 0.00002 -0.00001 -0.00000 -0.00001 0.00000 -0.00002 0.00001 0.00000 0.00001 -0.00002 0.00001 0.00002 -0.00002 0.00000 -0.00000 0.00001 -0.00001 0.00004 -0.00001 -0.00003 -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 0.00002 -0.00000 -0.00002 0.00000 0.00000 -0.00000 0.00009 0.00006 -0.00014 -0.00011 0.00008 0.00002 0.00004 0.00005 -0.00009 -0.00004 -0.00002 0.00006 0.00004 0.00003 0.00002 -0.00008 0.00002 -0.00002 0.00000 -0.00039 0.00039 0.00008 -0.00009 0.00000 0.00012 0.00003 -0.00023 -0.00031 -0.00029 0.00009 0.00004 0.00042 0.00029 -0.00221 -0.00027 -0.00004 0.00246 0.00269 0.01446 0.01434 0.01434 0.01154 0.01142 0.01142 -0.00020 -0.00030 -0.00001 -0.00001 0.00000 0.00000 -0.00000 0.00001 -0.00001 -0.00001 0.00000 0.00002 -0.00001 0.00002 0.00003 0.00000 0.00003 0.00002 -0.00001 0.00001 0.00006 0.00006 0.00008 0.00005 0.00005 0.00008 0.00007 0.00007 0.00009 -0.00000 -0.00002 -0.00002 -0.00002 -0.00004 -0.00004 -0.00003 -0.00005 -0.00005 0.00004 -0.00011 0.00004 -0.00011 0.00005 -0.00010 -0.00002 -0.00002 -0.00003 -0.00002 -0.00002 -0.00003 -0.00002 -0.00002 -0.00003 0.00005 0.00011 0.00005 0.00011 0.00003 0.00010 0.00001 0.00003 0.00003 0.00003 0.00005 0.00005 0.00002 0.00003 0.00003 -0.00005 -0.00011 0.00007 0.00001 0.00011 0.00020 -0.00005 0.00004 -0.00011 -0.00008 -0.00003 -0.00000 0.00012 0.00011 0.00011 0.00010 0.00010 0.00010 0.00010 0.00009 0.00009 0.00010 0.00010 0.00011 0.00009 0.00009 0.00009 0.00008 0.00009 0.00009 0.00002 0.00003 -0.00006 -0.00005 0.00001 0.00001 -0.00002 -0.00002 0.00003 0.00003 0.00003 0.00003 0.00081 0.00044 0.00045 0.00008 -0.00028 -0.00017 0.00004 0.00016 0.00041 0.00015 0.00014 -0.00012 -0.00007 -0.00009 -0.00004 -0.00019 -0.00021 -0.00016 2.59440 2.62988 2.31284 2.68738 2.58360 1.90820 2.54224 2.55354 2.75240 2.51565 2.95157 2.95121 2.90212 2.07306 2.95215 2.85739 2.05348 2.95223 2.85876 2.05887 2.94785 2.06475 2.05475 2.06223 2.06535 2.65790 2.62474 2.61732 2.90222 2.90230 2.06921 2.65497 2.64725 2.04959 2.06544 2.06740 2.07039 2.07030 2.06747 2.06492 2.62915 2.05026 2.04885 2.81436 2.68831 2.61566 2.81081 2.03677 2.05974 2.05497 2.06245 2.06261 2.18004 2.02492 2.06093 1.95721 2.09842 2.22755 1.83694 1.62733 2.05190 1.91884 2.05537 1.91614 1.88177 1.77481 1.73998 2.04944 1.85500 1.99735 2.01311 1.77465 1.73994 2.04715 1.85822 2.00263 2.00736 1.80017 1.92387 1.92891 1.94657 1.98410 1.87998 1.80013 1.94154 1.92838 1.96671 1.95092 1.87681 1.86218 2.32675 2.09423 1.85859 2.30189 2.12269 1.93159 1.93096 1.91170 1.92894 1.87985 1.87927 2.14022 2.07093 2.07044 2.06286 2.11437 2.10576 1.95112 1.93658 1.93196 1.87987 1.88143 1.88014 1.93208 1.93601 1.95056 1.88055 1.88118 1.88077 2.10973 2.07839 2.09506 2.10621 2.09443 2.08255 2.15837 2.09440 2.03041 2.35656 2.11933 1.80713 1.94625 2.04038 2.29604 1.87723 2.14974 2.25620 1.84164 1.94604 1.90097 1.93376 1.88246 1.95443 1.87689 1.92289 1.92428 1.91290 1.91263 1.91391 0.91727 -2.28600 -2.42766 0.65225 0.00517 -3.14159 -2.92926 0.20717 -0.00475 3.13758 0.00591 -3.13166 -3.13648 0.00914 0.01353 2.09748 -2.07088 -3.12721 -1.04326 1.07156 0.00177 3.11263 -0.98004 0.92263 3.10951 1.18017 3.08284 -1.01347 -2.94195 -1.03928 1.14760 0.98036 -0.92565 -3.10394 -1.17711 -3.08313 1.02177 2.94464 1.03862 -1.13967 -3.03824 1.10081 -0.96816 -1.11323 3.02582 0.95684 1.06533 -1.07880 3.13541 0.62541 -1.45482 2.75216 -1.18730 3.01566 0.93945 2.85308 0.77285 -1.30336 -0.60546 2.52818 1.23252 -1.91702 -2.81714 0.31650 -0.62641 -2.73895 1.46102 1.18713 -0.92541 -3.00862 -2.85433 1.31632 -0.76689 0.61238 -2.52505 -1.22625 1.91950 2.81797 -0.31946 0.00055 2.09589 -2.07127 2.06499 -2.12286 -0.00683 -2.08856 0.00677 2.12280 -0.00419 3.13376 -3.13910 -0.00115 -0.03757 -3.11751 3.09522 0.01529 3.12123 0.00051 -0.01568 -3.13639 1.06216 -3.12210 -1.03559 -3.07572 -0.97679 1.10972 -1.02715 1.07177 -3.12490 1.02983 3.11656 -1.06731 -1.11585 0.97089 3.07020 3.11841 -1.07803 1.02127 -3.09505 0.04881 -0.01263 3.13122 0.01833 -3.12257 3.13915 -0.00175 -0.00436 3.13654 3.13494 -0.00734 -2.87923 0.23912 0.26732 -2.89751 3.12283 0.01785 0.00163 -3.10334 -3.12907 0.00817 -0.00437 3.13287 -2.08882 2.14873 0.04620 1.01457 -1.03107 -3.13360 |Maximum Force|RMS Force|Maximum Displacement|RMS Displacement| 0.000050 0.000008 0.025670 0.002748 0.000450 0.000300 0.001800 0.001200 YES YES NO NO -1.045205e-06 6-311+G(d,p) (5D, 7F) 0.10000e-02 0.10000e-05 F 736 A 710 A 710 1120 736 95 95 2398.3178926791 49 49 49 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 -0.0540402631 0.000000 2.200873 0.000000 4.673711 4.797629 0.000000 3.251416 3.005200 2.285155 0.000000 4.339999 4.374225 4.144947 4.619153 0.000000 3.356455 3.386211 4.587056 4.394025 1.345309 0.000000 5.944829 6.905735 4.604232 4.438144 8.023087 7.971388 0.000000 5.107001 5.901179 3.043605 3.194650 6.597083 6.659465 1.561899 0.000000 6.934715 7.487077 4.914969 4.795655 8.750445 8.779494 1.561717 2.270283 0.000000 6.412488 7.041086 3.149570 4.130623 7.065083 7.401187 2.422557 1.562218 2.445829 0.000000 7.499613 8.010622 4.489464 5.084768 8.522108 8.790354 2.422290 2.445830 1.562257 1.559936 0.000000 4.968109 5.237400 3.090638 2.466046 6.694150 6.633513 2.349694 1.512057 2.339790 2.459986 2.871213 0.000000 6.188570 6.369177 4.335304 3.742423 8.080514 8.017423 2.350096 2.342334 1.512790 2.874848 2.463532 1.406504 0.000000 6.789332 8.058434 5.523419 5.701545 8.715454 8.734170 1.535737 2.649166 2.651768 3.051418 3.052545 3.809554 3.811329 0.000000 4.310104 4.089057 2.863062 1.422131 5.987145 5.815145 3.657511 2.663980 3.666463 3.567209 4.133811 1.388940 2.420823 5.101230 0.000000 6.783527 6.579640 5.177545 4.247737 8.779867 8.640697 3.649073 3.673499 2.646667 4.137139 3.558036 2.437057 1.385027 5.090382 2.827031 0.000000 7.899794 9.161792 6.960150 6.917072 10.181459 10.120790 2.526313 3.972837 3.176502 4.339224 3.861815 4.846318 4.467690 1.535787 6.149277 5.528548 0.000000 6.161150 7.766133 5.638352 5.793873 8.175437 8.123471 2.525840 3.165328 3.973242 3.849793 4.333633 4.460535 4.844591 1.535832 5.540993 6.142063 2.524096 0.000000 5.108181 4.380941 4.022877 2.431594 6.898954 6.640127 4.593112 3.879406 4.252108 4.646442 4.865796 2.402702 2.765248 6.114587 1.404947 2.426287 6.955283 6.703881 0.000000 6.292252 5.680765 5.035702 3.715593 8.240437 8.012529 4.589885 4.266651 3.862378 4.874733 4.637789 2.784601 2.390413 6.109972 2.432254 1.400869 6.693441 6.956406 1.391290 0.000000 3.583222 3.576855 1.223914 1.367144 3.625659 3.746484 4.828882 3.350978 5.277931 3.942650 5.193454 3.122781 4.478853 5.869946 2.473155 5.186510 7.253629 5.835682 3.588010 4.807733 0.000000 3.152721 3.155911 2.353450 2.427789 2.206882 2.277012 6.045150 4.614546 6.673838 5.245675 6.594878 4.526243 5.907060 6.942780 3.785554 6.584813 8.358394 6.629433 4.765873 6.083681 1.489333 0.000000 2.365180 2.370531 3.721714 3.124155 2.127023 1.331215 6.824471 5.546395 7.589110 6.413778 7.718550 5.397472 6.763982 7.705581 4.540557 7.356247 9.048238 7.210910 5.370899 6.733370 2.690689 1.422632 0.000000 4.289998 4.315202 2.838018 3.693740 1.351247 2.237365 6.974444 5.482448 7.586805 5.817859 7.262732 5.580851 6.942431 7.716389 4.959326 7.676268 9.201382 7.348154 5.941158 7.225525 2.506706 1.384163 2.204958 0.000000 1.372916 1.391669 4.639905 3.303524 3.527993 2.403418 6.853628 5.805854 7.670977 6.942426 8.091440 5.496299 6.765044 7.800979 4.573482 7.231967 8.991897 7.273328 5.219878 6.533953 3.463564 2.654023 1.487425 3.676233 0.000000 5.648006 5.691072 5.330380 6.048505 1.456516 2.429922 9.303570 7.868225 10.041381 8.196701 9.691814 8.057680 9.436746 9.887317 7.394071 10.160022 11.379517 9.280316 8.297513 9.631215 4.985214 3.630740 3.516385 2.520031 4.814554 0.000000 5.511873 6.521841 5.068974 4.404838 8.168238 7.933878 1.097016 2.193569 2.191419 3.401528 3.400466 2.554542 2.552138 2.143117 3.638831 3.629155 2.743568 2.749497 4.446503 4.442169 5.032854 6.157789 6.734614 7.228440 6.526877 9.506341 0.000000 4.347285 5.408270 2.752348 2.978387 5.788510 5.823129 2.276805 1.086658 3.315589 2.241882 3.430443 2.207647 3.310277 3.014096 2.946881 4.568297 4.449341 2.977293 4.306668 4.954623 2.907052 3.931563 4.778202 4.769841 5.089548 7.039986 2.667137 0.000000 7.796372 8.345888 5.996875 5.764476 9.821358 9.810149 2.277371 3.317736 1.089508 3.435163 2.247765 3.308803 2.206679 3.020064 4.556989 2.916327 2.992862 4.455575 4.930310 4.275270 6.334544 7.728797 8.597855 8.668767 8.587606 11.122257 2.661866 4.323837 0.000000 6.776513 7.641282 3.586687 4.856135 7.178087 7.604321 2.849413 2.194257 3.190372 1.092620 2.208665 3.420321 3.878707 2.921100 4.499184 5.182915 4.281579 3.507570 5.667677 5.949171 4.455872 5.578783 6.738320 5.977079 7.358861 8.196740 3.873515 2.507549 4.066859 0.000000 6.426899 6.786925 2.473828 3.831879 6.529903 6.985780 3.371192 2.193982 3.215078 1.087327 2.231190 2.646328 3.232334 4.124648 3.403545 4.299057 5.419206 4.809243 4.431541 4.801101 3.453956 4.767602 6.055527 5.218431 6.743594 7.619087 4.245602 2.684994 4.214610 1.760428 0.000000 8.051159 8.290164 4.685378 5.321778 8.821648 9.147392 3.377291 3.212574 2.206098 2.222013 1.091287 3.227150 2.656884 4.132393 4.284449 3.403839 4.834711 5.416549 4.783221 4.423204 5.443454 6.890911 8.078899 7.516360 8.503062 9.973413 4.252190 4.205307 2.707866 2.965322 2.417558 0.000000 8.301378 8.975216 5.327932 6.077294 9.272440 9.589686 2.855907 3.195566 2.197823 2.212028 1.092933 3.878412 3.425076 2.931205 5.184040 4.484962 3.528952 4.286070 5.940966 5.655154 6.098735 7.440687 8.567152 8.024452 8.966148 10.380383 3.878584 4.067508 2.516376 2.366438 2.975224 1.761823 0.000000 7.399982 8.598761 5.456836 6.048307 8.800612 8.984096 2.163774 2.872482 2.871342 2.687829 2.686473 4.146132 4.147284 1.094978 5.469781 5.456995 2.140226 2.139843 6.521599 6.516517 6.018767 7.115576 8.025156 7.730503 8.307703 9.890009 3.052487 3.279194 3.280877 2.283449 3.746189 3.748656 2.289299 0.000000 7.795102 7.596937 6.180917 5.332136 9.856923 9.724846 4.186540 4.493515 2.962684 4.801585 3.900676 3.423491 2.156039 5.486608 3.911621 1.084596 5.657795 6.681759 3.410334 2.165173 6.254814 7.664472 8.438240 8.737920 8.280621 11.229881 4.167771 5.457478 2.835649 5.801555 5.038810 3.640088 4.666634 5.828108 0.000000 8.549823 9.611448 7.219585 7.205117 10.722905 10.709528 2.800435 4.249144 2.865568 4.380281 3.524235 4.924542 4.261057 2.190779 6.265845 5.183016 1.092985 3.487418 6.922817 6.466916 7.591330 8.814068 9.593906 9.662036 9.567665 11.940879 3.135650 4.936729 2.373174 4.449248 5.419108 4.351959 3.095695 2.489317 5.132153 0.000000 8.603260 10.009944 7.695058 7.812627 10.769719 10.748290 3.484356 4.810830 4.181198 5.044074 4.641974 5.829839 5.521037 2.181159 7.134626 6.606487 1.094021 2.747097 8.003856 7.776999 8.040179 9.068559 9.747267 9.825065 9.731907 11.897773 3.738743 5.162716 3.984784 4.774386 6.129915 5.623344 4.117597 2.493962 6.714671 1.766052 0.000000 7.615271 8.901247 7.298413 6.915619 10.331466 10.127317 2.773010 4.282411 3.521873 4.966394 4.536914 4.958427 4.571736 2.179021 6.148715 5.500868 1.095604 2.804521 6.860677 6.583591 7.415550 8.470496 9.013974 9.427244 8.778090 11.582764 2.536470 4.693314 3.273038 5.041943 6.014330 5.472193 4.393362 3.060365 5.619827 1.768336 1.768342 0.000000 5.687645 7.377367 5.981263 5.728796 8.253109 8.021316 2.769774 3.503595 4.283057 4.520912 4.960427 4.559073 4.953517 2.179117 5.505140 6.140721 2.807593 1.095557 6.588555 6.858634 5.958114 6.674929 7.064680 7.529560 6.908439 9.416903 2.540298 3.248546 4.701322 4.368862 5.440466 6.012851 5.047810 3.060065 6.690787 3.823432 3.130193 2.643987 0.000000 7.047024 8.755950 6.531577 6.843174 8.907841 8.902693 3.483745 4.172935 4.812299 4.634142 5.041633 5.515206 5.829151 2.180822 6.620233 7.125583 2.743925 1.094059 7.787417 8.003375 6.795830 7.513736 8.079210 8.125605 8.177485 9.920321 3.741364 3.971925 5.169644 4.101066 5.603126 6.130840 4.782051 2.495476 7.593702 3.745813 2.512156 3.121054 1.768592 0.000000 5.574416 7.196047 4.845212 5.232645 7.185326 7.212287 2.801692 2.854194 4.245922 3.505229 4.367309 4.254162 4.921771 2.190212 5.201939 6.263006 3.486746 1.092706 6.485795 6.931751 5.070692 5.754878 6.377279 6.370991 6.594356 8.243938 3.148030 2.359530 4.939193 3.067022 4.316035 5.404141 4.444580 2.486037 6.937145 4.344302 3.746350 3.821827 1.767914 1.766435 0.000000 5.048984 3.872003 4.400405 2.631971 6.698406 6.354523 5.602528 4.794932 5.334354 5.569002 5.896890 3.383130 3.850190 7.109305 2.152401 3.408041 7.981260 7.586427 1.084946 2.150365 3.775462 4.705282 5.139620 5.869500 4.916624 8.071491 5.398906 5.071306 6.008971 6.559319 5.238826 5.768535 6.980757 7.527308 4.305288 7.986161 9.022991 7.842519 7.415847 8.677271 7.297908 0.000000 7.026755 6.174025 5.971355 4.572549 8.992923 8.718139 5.599849 5.348721 4.783211 5.909289 5.566679 3.868640 3.377854 7.104924 3.407948 2.157975 7.576278 7.981160 2.142098 1.084206 5.693387 6.890852 7.458323 8.027681 7.176685 10.370527 5.392849 6.031344 5.044582 6.991934 5.792176 5.240310 6.551795 7.523321 2.495951 7.280030 8.666798 7.410578 7.838567 9.021124 7.993740 2.465370 0.000000 2.735284 2.053726 3.156116 1.009767 4.574605 4.087543 5.166338 4.060551 5.572134 5.110193 6.010184 3.260120 4.431892 6.436847 2.074091 4.748011 7.581720 6.422727 2.647851 3.999347 2.046676 2.552491 2.784499 3.898835 2.614876 6.018948 4.953885 3.773497 6.477219 5.822746 4.841137 6.242703 7.007456 6.883981 5.811965 7.909520 8.486357 7.459051 6.211292 7.473819 5.888524 2.498476 4.705218 0.000000 5.249493 5.279290 2.741365 4.196992 2.140403 3.256919 7.096578 5.564787 7.601796 5.604299 7.059692 5.764568 7.061703 7.764409 5.289690 7.839640 9.279007 7.494228 6.292707 7.489642 2.876161 2.228482 3.267208 1.077816 4.720567 2.841406 7.503993 4.940539 8.690208 5.680919 4.896569 7.245008 7.759969 7.626738 8.863855 9.678893 9.864790 9.624272 7.824034 8.218783 6.493678 6.307876 8.310645 4.592215 0.000000 2.010768 2.013702 5.652891 4.387351 3.816938 2.504477 7.839568 6.841991 8.712459 7.993244 9.158926 6.566875 7.818403 8.723421 5.641681 8.255031 9.885228 8.085676 6.214320 7.515848 4.500250 3.516738 2.148057 4.303785 1.089966 4.889437 7.460491 6.081472 9.610309 8.362905 7.803065 9.588665 10.015456 9.257417 9.289794 10.509779 10.586770 9.621956 7.658891 8.936925 7.406574 5.829089 8.099057 3.653820 5.380050 0.000000 5.716095 5.761280 6.181392 6.610238 2.063619 2.464771 9.959204 8.577947 10.769161 9.041185 10.529721 8.731680 10.124915 10.543854 8.004500 10.814497 12.004077 9.842991 8.859112 10.223600 5.683562 4.236315 3.753921 3.353744 4.823104 1.087443 10.065172 7.704702 11.836845 9.055345 8.519103 10.849376 11.233582 10.626645 11.895034 12.616074 12.517342 12.130745 9.881605 10.474057 8.828044 8.560483 10.928635 6.435689 3.853460 4.652436 0.000000 6.068249 6.425992 5.461699 6.465370 2.100079 3.141849 9.268112 7.864396 10.072602 8.090668 9.626842 8.250595 9.624404 9.692895 7.756389 10.465744 11.199501 9.016500 8.781671 10.071298 5.297392 4.059206 4.118169 2.859929 5.437578 1.091447 9.545619 6.995545 11.153465 7.946532 7.562444 9.966865 10.219149 9.620123 11.520892 11.793984 11.630237 11.469370 9.234423 9.558405 7.946823 8.675447 10.880697 6.564219 2.931838 5.563662 1.780431 0.000000 6.397901 6.127971 5.554286 6.386258 2.100509 3.142919 9.817468 8.322839 10.414126 8.520100 9.975961 8.408227 9.746444 10.473154 7.681985 10.389182 11.978773 9.989816 8.483411 9.801359 5.303070 4.058945 4.118029 2.862291 5.450225 1.091444 10.075185 7.588384 11.499436 8.571580 7.826413 10.145342 10.691082 10.415908 11.444153 12.465626 12.533351 12.224557 10.178711 10.659523 8.955984 8.195431 10.483385 6.378517 2.939331 5.569379 1.780364 1.784381 0.000000 C20H23F2N3O 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 0 0 336.23030639999973 AuxInfo=1/0/N:7;8;9;10;11;12;13;14;15;16;17;18;19;20;21;22;23;24;25;26;1;2;4;5;6;3;27;28;29;30;31;32;33;34;35;36;37;38;39;40;41;42;43;44;45;46;47;48;49/rA:49nF0F0O0N0N0N0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:2.3653,.0469,2.5981;3.0852,1.9471,1.7527;.7975,-.3445,-1.7873;.8191,1.1359,-.0467;4.7411,-1.1783,-.8209;4.8151,-.6343,.4072;-3.1543,-.7522,.5399;-1.8115,-.665,-.253;-3.8812,.2552,-.4065;-2.2688,-1.0578,-1.6943;-3.6912,-.426,-1.7995;-1.6189,.8347,-.2633;-2.9008,1.4061,-.3547;-3.7822,-2.1417,.7236;-.4978,1.6518,-.1955;-3.084,2.7788,-.3782;-5.1606,-2.0297,1.3915;-2.8568,-3.0492,1.5476;-.6788,3.045,-.2015;-1.952,3.5992,-.2888;1.378,.1761,-.8439;2.7745,-.2244,-.5161;3.6339,-.0528,.6045;3.5409,-.961,-1.4026;3.4199,.6067,1.9204;5.8777,-1.9039,-1.3714;-3.0314,-.3052,1.5341;-.9695,-1.2395,.1237;-4.9107,.5156,-.1629;-2.3045,-2.1451,-1.7961;-1.5669,-.6791,-2.4333;-3.7698,.3013,-2.6093;-4.4608,-1.1847,-1.9626;-3.9236,-2.6119,-.2551;-4.0765,3.2112,-.444;-5.8571,-1.4417,.7884;-5.6037,-3.0184,1.5426;-5.0776,-1.548,2.3721;-2.6624,-2.6116,2.533;-3.3109,-4.0323,1.703;-1.8939,-3.201,1.054;.1912,3.6902,-.139;-2.0629,4.6777,-.2866;1.424,1.6411,.5846;3.2864,-1.3267,-2.384;4.3088,.5604,2.5494;6.6714,-1.882,-.6284;5.5994,-2.9385,-1.5793;6.2226,-1.4248,-2.2895; 0.3293348 0.1171602 0.1069557 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= 710 RedAO= T EigKep= 1.12D-06 NBF= 710 NBsUse= 706 1.00D-06 EigRej= 5.19D-07 NBFU= 706 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= 727 727 727 727 727 MxSgAt= 49 MxSgA2= 49. 1 Closed 1 1 1 -1215.53076025191 -1215.53076025 1 1.210544898053e+03 -7.635300949820e+03 2.810961439099e+03 Using DIIS extrapolation, IDIIS= 1040. NGot= 4246732800 LenX= 4245623558 LenY= 4245081126 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= 49. Will process 50 centers per pass. Symmetrizing basis deriv contribution to polar: IMax=3 JMax=2 DiffMx= 0.00D+00 Minotr: Closed shell wavefunction. IDoAtm=1111111111111111111111111111111111111111111111111 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. 15219 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= 750000000 NMat= 147 IRICut= 367 DoRegI=T DoRafI=T ISym2E= 2 IDoP0=3 IntGTp=3. FoFCou: FMM=F IPFlag= 0 FMFlag= 100000 FMFlg1= 0 NFxFlg= 0 DoJE=F BraDBF=F KetDBF=F FulRan=T wScrn= 0.000000 ICntrl= 0 IOpCl= 0 I1Cent= 0 NGrid= 0 NMat0= 147 NMatS0= 147 NMatT0= 0 NMatD0= 147 NMtDS0= 0 NMtDT0= 0 Integrals replicated using symmetry in FoFCou. Raff kept on since 73.61% of shell-pairs survive, threshold= 0.20 IRatSp=74. There are 150 degrees of freedom in the 1st order CPHF. IDoFFX=6 NUNeed= 3. 147 vectors produced by pass 0 Test12= 5.80D-14 1.00D-09 XBig12= 2.86D+02 6.40D+00. AX will form 147 AO Fock derivatives at one time. 147 vectors produced by pass 1 Test12= 5.80D-14 1.00D-09 XBig12= 8.09D+01 2.37D+00. 147 vectors produced by pass 2 Test12= 5.80D-14 1.00D-09 XBig12= 7.86D-01 1.16D-01. 147 vectors produced by pass 3 Test12= 5.80D-14 1.00D-09 XBig12= 4.39D-03 7.35D-03. 147 vectors produced by pass 4 Test12= 5.80D-14 1.00D-09 XBig12= 1.24D-05 2.74D-04. 129 vectors produced by pass 5 Test12= 5.80D-14 1.00D-09 XBig12= 1.90D-08 8.16D-06. 42 vectors produced by pass 6 Test12= 5.80D-14 1.00D-09 XBig12= 2.40D-11 3.13D-07. 3 vectors produced by pass 7 Test12= 5.80D-14 1.00D-09 XBig12= 2.65D-14 8.69D-09. InvSVY: IOpt=1 It= 1 EMax= 1.42D-14 Solved reduced A of dimension 909 with 150 vectors. FullF1: Do perturbations 1 to 3. Isotropic polarizability for W= 0.000000 258.63 Bohr**3. End of Minotr F.D. properties file 721 does not exist. 312.911 -18.247 257.965 -3.123 11.216 205.006 422.879 -25.076 387.655 9.457 33.583 330.897 (Enter /usr/local/gaussian/gaussian16/g16/l716.exe) PT127689.600S 2024-10-15T19:01:12.000 -24.70620 -24.70063 -19.09214 -14.42633 -14.36494 -14.34808 -10.35705 -10.28756 -10.23928 -10.23417 -10.23149 -10.21407 -10.20376 -10.17241 -10.17125 -10.17063 -10.17012 -10.16954 -10.16931 -10.16880 -10.16763 -10.16696 -10.15900 -10.15377 -10.15264 -10.15187 -1.26979 -1.21199 -1.08987 -1.04713 -0.94123 -0.88866 -0.88514 -0.83301 -0.82284 -0.78842 -0.77087 -0.75532 -0.73558 -0.71580 -0.70239 -0.69006 -0.67858 -0.65834 -0.62465 -0.61268 -0.61006 -0.59626 -0.57597 -0.57333 -0.56312 -0.55483 -0.54591 -0.53984 -0.52433 -0.51282 -0.51026 -0.50125 -0.49259 -0.47600 -0.46026 -0.45344 -0.44831 -0.44595 -0.44168 -0.43731 -0.43110 -0.43025 -0.42954 -0.42680 -0.41939 -0.41824 -0.41106 -0.39509 -0.39224 -0.38159 -0.37227 -0.36899 -0.36508 -0.35580 -0.35067 -0.34139 -0.33732 -0.33275 -0.32408 -0.32158 -0.31837 -0.31081 -0.29896 -0.29134 -0.28875 -0.27883 -0.26674 -0.23443 -0.22905 -0.04290 -0.02766 -0.00876 -0.00598 -0.00251 0.00478 0.01069 0.01505 0.01880 0.02492 0.02646 0.02868 0.03380 0.03677 0.03834 0.04239 0.04801 0.04896 0.05378 0.05514 0.05789 0.06260 0.06470 0.06711 0.07302 0.07402 0.08027 0.08281 0.08850 0.08923 0.09448 0.09730 0.09773 0.10115 0.10439 0.10687 0.11160 0.11469 0.11744 0.12010 0.12206 0.12402 0.12717 0.12983 0.13431 0.13694 0.13984 0.14191 0.14886 0.15080 0.15342 0.15522 0.15766 0.16130 0.16413 0.16728 0.16972 0.17096 0.17104 0.17556 0.17852 0.18082 0.18212 0.18576 0.18727 0.19074 0.19169 0.19326 0.19421 0.19702 0.20032 0.20236 0.20456 0.20640 0.20863 0.21146 0.21285 0.21598 0.21923 0.22048 0.22285 0.22620 0.22734 0.23130 0.23297 0.23512 0.23601 0.23993 0.24189 0.24438 0.24543 0.24770 0.24893 0.25229 0.25585 0.25762 0.26183 0.26482 0.26768 0.26883 0.27105 0.27410 0.27637 0.27899 0.28369 0.28570 0.28830 0.29117 0.29499 0.29838 0.30150 0.30623 0.30646 0.31000 0.31294 0.31518 0.31940 0.32254 0.32427 0.32819 0.33178 0.33341 0.33792 0.34168 0.34361 0.34948 0.35348 0.35703 0.35992 0.36448 0.36723 0.37175 0.37309 0.37766 0.38172 0.38947 0.39067 0.39275 0.40223 0.40541 0.41086 0.41733 0.41783 0.42104 0.42374 0.43175 0.43692 0.44525 0.44590 0.45527 0.45941 0.46363 0.47324 0.48064 0.48325 0.49448 0.50195 0.50461 0.51289 0.51702 0.52169 0.52402 0.52723 0.53730 0.54003 0.54910 0.55102 0.55829 0.56671 0.56844 0.57243 0.57408 0.58613 0.59077 0.59595 0.59877 0.60301 0.60977 0.61313 0.61876 0.62647 0.62703 0.63832 0.64245 0.64670 0.65004 0.65577 0.66199 0.66582 0.66707 0.66848 0.67286 0.67851 0.68845 0.69456 0.69566 0.69940 0.70304 0.70372 0.70795 0.70977 0.71378 0.71456 0.72166 0.72469 0.72571 0.73240 0.73275 0.73853 0.74002 0.74568 0.75461 0.75763 0.76186 0.77201 0.77279 0.77708 0.78023 0.78954 0.78989 0.79468 0.80011 0.80588 0.81303 0.82140 0.82287 0.82710 0.82927 0.84024 0.84210 0.85166 0.85521 0.85987 0.86654 0.87361 0.88245 0.88917 0.89544 0.89816 0.90226 0.91274 0.91510 0.93662 0.94228 0.95398 0.96061 0.96470 0.97357 0.98547 0.99003 0.99415 1.00115 1.00433 1.01797 1.02006 1.02870 1.03260 1.04925 1.05327 1.06587 1.07361 1.07735 1.08143 1.08496 1.10084 1.10166 1.11271 1.11739 1.14754 1.15191 1.15706 1.17717 1.18304 1.18753 1.20480 1.22056 1.22199 1.23139 1.24848 1.25804 1.26231 1.26863 1.29390 1.29966 1.31266 1.31772 1.32530 1.34253 1.35073 1.35786 1.37028 1.37384 1.38445 1.39959 1.40443 1.41028 1.42877 1.43092 1.43430 1.44400 1.45218 1.46396 1.47063 1.47896 1.48162 1.49312 1.49867 1.50263 1.50721 1.51753 1.52037 1.52295 1.53448 1.53654 1.54577 1.55298 1.55794 1.56318 1.56924 1.57266 1.57439 1.58373 1.58768 1.59124 1.59932 1.60462 1.61040 1.61259 1.61704 1.62726 1.63008 1.63620 1.64213 1.65223 1.65599 1.66513 1.66935 1.68106 1.68315 1.68597 1.70460 1.70714 1.71124 1.72540 1.73134 1.73641 1.73766 1.74379 1.75626 1.76102 1.76543 1.77420 1.78065 1.78468 1.78584 1.79409 1.80139 1.81917 1.82285 1.83089 1.83628 1.84081 1.84717 1.85109 1.85968 1.86573 1.87277 1.88435 1.88620 1.89666 1.91237 1.91632 1.92331 1.93674 1.94385 1.94834 1.94989 1.95800 1.96827 1.97026 1.98481 1.99391 1.99988 2.00455 2.00617 2.01242 2.02717 2.03624 2.04254 2.05181 2.06014 2.07513 2.08437 2.09415 2.10015 2.10875 2.11452 2.12048 2.13053 2.13523 2.14063 2.16348 2.16605 2.17480 2.18118 2.18852 2.20694 2.22335 2.22961 2.24993 2.25917 2.27263 2.28478 2.28842 2.29846 2.30997 2.32249 2.33261 2.33727 2.34731 2.35702 2.37078 2.37956 2.40164 2.41234 2.42086 2.43125 2.43563 2.44323 2.45124 2.45521 2.47082 2.47652 2.48873 2.50063 2.50591 2.51671 2.52005 2.53684 2.54292 2.55586 2.56191 2.58145 2.59461 2.60503 2.60864 2.61683 2.61899 2.62378 2.63862 2.64471 2.64793 2.65767 2.66248 2.68561 2.69064 2.70384 2.70926 2.72026 2.72414 2.73858 2.74189 2.74762 2.74969 2.75438 2.76892 2.77403 2.78214 2.78978 2.79538 2.79817 2.81330 2.82018 2.83103 2.84353 2.85651 2.86820 2.87583 2.88333 2.89924 2.90724 2.91134 2.91709 2.92766 2.93349 2.94240 2.95472 2.96225 2.97581 2.97980 2.99713 3.00565 3.01214 3.02487 3.03682 3.04162 3.04851 3.06707 3.06936 3.07521 3.07963 3.10325 3.14250 3.15257 3.16265 3.17584 3.18423 3.21708 3.22440 3.24298 3.27636 3.29315 3.29986 3.33479 3.36192 3.38884 3.39828 3.41064 3.41704 3.44066 3.46309 3.49753 3.50800 3.56409 3.58308 3.60339 3.63323 3.64865 3.68094 3.68602 3.68801 3.70251 3.73997 3.76841 3.77584 3.79239 3.80382 3.81079 3.82525 3.83021 3.84482 3.84561 3.84661 3.85629 3.89290 3.93815 3.97691 3.98297 3.98854 3.99461 4.01195 4.04045 4.05375 4.06436 4.07688 4.11126 4.13302 4.13675 4.18144 4.20783 4.25900 4.29033 4.30812 4.33555 4.36648 4.37590 4.39239 4.44214 4.58877 4.76435 4.87316 4.87747 4.90979 4.97785 5.12103 5.14890 5.33925 5.43224 5.84440 6.35384 6.39177 6.41302 6.46479 6.56854 6.66975 23.62288 23.66047 23.75107 23.84875 23.86623 23.89606 23.89790 23.90637 23.94729 23.95911 23.96983 23.98408 23.99599 23.99951 24.02635 24.10221 24.11154 24.11411 24.14789 24.21522 35.48846 35.56322 35.66725 50.06436 66.75977 66.82790 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 48 49 F F O N N N 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 -0.079305 -0.110195 -0.273175 0.095586 0.095725 -0.111046 -0.340754 0.194570 0.617660 -0.420299 -0.530836 -0.160016 -0.328592 0.154688 -0.042329 0.048596 -0.552760 -0.546041 -0.035772 -0.173617 -0.720481 1.036240 -0.960744 0.031593 -0.031123 -0.290450 0.133391 0.130728 0.117971 0.134913 0.177976 0.140859 0.141069 0.128285 0.108966 0.133073 0.136648 0.139642 0.141439 0.136581 0.137266 0.112022 0.123278 0.279663 0.148397 0.197980 0.189608 0.172082 0.171039 0.00000 Mulliken charges with hydrogens summed into heavy atoms: 1 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 F F O N N N C C C C C C C C C C C C C C C C C C C C -0.079305 -0.110195 -0.273175 0.375250 0.095725 -0.111046 -0.207363 0.325298 0.735631 -0.107410 -0.248908 -0.160016 -0.328592 0.282973 -0.042329 0.157562 -0.143397 -0.130755 0.076249 -0.050339 -0.720481 1.036240 -0.960744 0.179990 0.166857 0.242280 0.00000 1.40134590e+00 -6.56767893e-01 -3.90301170e-01 3.12911440e+02 -1.82468394e+01 2.57965110e+02 -3.12319808e+00 1.12162130e+01 2.05005528e+02 -93.3061 -0.0007 -0.0002 0.0005 1.7473 3.4912 3.7234 14.1351 23.0893 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 99 100 101 102 103 104 105 106 107 108 109 110 111 112 113 114 115 116 117 118 119 120 121 122 123 124 125 126 127 128 129 130 131 132 133 134 135 136 137 138 139 140 141 A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A -93.3061 14.1253 23.0799 40.4155 51.8088 64.5684 83.9943 90.2349 108.7138 120.0083 137.8980 164.6093 171.5322 191.5539 205.3387 219.2152 235.3609 248.4403 251.3164 262.6030 280.4928 297.7746 317.4025 360.9254 389.1921 410.4795 419.5775 438.3782 448.4570 460.1160 493.3550 509.2941 553.8422 564.9628 568.8851 582.6393 598.5977 617.9591 628.7247 682.3014 720.8311 725.4877 740.4562 768.2195 770.4768 796.5731 810.8371 817.7895 841.3961 848.6403 864.3827 878.0302 878.8402 881.4922 888.4663 897.7352 914.1156 940.8547 956.6561 974.2569 975.3900 986.5050 990.8121 1010.2706 1029.4289 1036.4533 1067.5581 1073.7253 1080.4181 1090.7792 1127.4994 1138.0452 1142.7948 1144.7821 1149.7018 1162.6324 1181.9405 1188.0754 1193.2396 1199.5939 1201.0390 1219.0344 1247.2582 1261.7539 1269.8024 1277.9304 1289.1689 1309.0915 1319.1316 1324.2864 1329.5952 1332.2161 1349.6025 1353.5300 1361.4310 1381.5365 1404.9598 1414.4287 1422.7134 1427.0497 1436.1826 1458.1517 1473.5118 1488.7991 1489.7473 1496.2057 1500.2062 1501.9728 1506.5957 1507.1087 1513.3410 1516.0611 1522.9426 1560.5327 1578.1134 1632.6764 1653.5367 1716.5058 3010.3064 3011.5903 3015.7867 3030.5422 3042.0354 3047.0096 3055.4292 3070.4070 3079.4097 3085.5308 3086.6614 3089.9688 3101.1630 3112.0845 3121.4456 3134.3989 3137.0737 3156.7727 3160.9135 3166.0609 3182.3433 3264.5665 3604.1856 1.0546 6.7652 4.9756 3.4993 3.9444 6.6337 6.2802 4.0004 5.4096 5.4840 5.2178 4.7834 4.3713 6.5883 2.9717 3.7208 1.2778 2.4954 1.3464 3.2810 4.0734 2.2994 2.7864 7.5447 3.4979 5.2153 3.3600 6.4934 2.7705 3.7724 3.8589 4.4028 1.6693 3.5416 5.0041 3.4663 4.1234 4.6410 4.4687 3.4131 8.5675 5.2353 4.1176 2.0960 2.3928 3.7995 5.0979 3.4638 3.8584 1.7112 1.5949 2.1278 2.3984 2.9539 2.7222 2.5149 2.1893 1.2059 2.7306 1.4592 1.4868 2.5551 7.2167 1.9074 5.2515 1.9696 3.0063 2.5248 1.9532 2.4914 1.9589 1.6567 1.3676 1.3067 1.7020 1.8303 1.8453 2.3947 1.6400 1.6206 1.4542 1.6394 1.2757 2.8257 1.6394 1.8219 1.6998 1.5537 1.7304 1.4994 2.9887 1.5119 1.2025 1.3459 1.9411 3.8292 1.2385 1.3802 2.8292 1.2435 2.2936 2.5401 2.1280 1.0391 1.0483 1.0475 1.0876 2.4781 1.7478 1.3030 1.6599 1.0494 1.1077 2.4401 4.2913 5.7336 5.5951 8.8828 1.0776 1.0369 1.0434 1.0815 1.0647 1.0343 1.0691 1.1010 1.0995 1.1000 1.1029 1.1000 1.0890 1.1062 1.0898 1.0887 1.0961 1.0862 1.1022 1.0910 1.0964 1.0993 1.0776 0.0054 0.0008 0.0016 0.0034 0.0062 0.0163 0.0261 0.0192 0.0377 0.0465 0.0585 0.0764 0.0758 0.1424 0.0738 0.1053 0.0417 0.0907 0.0501 0.1333 0.1888 0.1201 0.1654 0.5791 0.3122 0.5177 0.3485 0.7352 0.3283 0.4705 0.5534 0.6729 0.3017 0.6660 0.9542 0.6933 0.8705 1.0442 1.0408 0.9362 2.6228 1.6235 1.3301 0.7288 0.8369 1.4205 1.9748 1.3649 1.6094 0.7261 0.7021 0.9665 1.0914 1.3523 1.2660 1.1942 1.0778 0.6289 1.4724 0.8161 0.8334 1.4650 4.1742 1.1470 3.2789 1.2466 2.0186 1.7150 1.3433 1.7465 1.4672 1.2642 1.0523 1.0090 1.3255 1.4576 1.5189 1.9915 1.3758 1.3740 1.2360 1.4353 1.1693 2.6505 1.5574 1.7531 1.6645 1.5687 1.7741 1.5493 3.1129 1.5810 1.2905 1.4528 2.1198 4.3061 1.4404 1.6269 3.3741 1.4921 2.7873 3.1821 2.7223 1.3570 1.3707 1.3816 1.4422 3.2937 2.3374 1.7438 2.2398 1.4211 1.5136 3.5011 6.2967 9.0048 9.0133 15.4203 5.7537 5.5410 5.5913 5.8524 5.8052 5.6576 5.8802 6.1153 6.1428 6.1703 6.1910 6.1883 6.1706 6.3123 6.2560 6.3017 6.3554 6.3777 6.4886 6.4432 6.5421 6.9028 8.2477 0.0021 0.2753 1.5273 0.7508 0.4354 1.2588 2.4951 0.3148 2.5247 1.8268 2.6202 2.0988 1.1604 3.0678 0.5751 4.4260 1.2216 4.1570 0.9559 3.7451 3.0540 1.0755 1.4237 17.0231 0.6383 3.4160 1.1619 2.1240 0.0770 5.4514 0.5767 10.8663 20.4330 1.7249 6.0243 19.8610 13.8150 4.3260 1.0082 7.4187 4.7443 0.6888 12.9805 22.8090 35.8763 29.3826 24.2103 34.3868 9.5931 2.2857 9.8680 0.8425 0.6443 2.2897 6.1769 0.9082 2.0316 0.9660 3.6284 1.4356 0.5834 4.4349 176.3111 1.0312 62.9660 2.7241 30.5815 4.2311 3.2567 33.5758 1.7449 29.6245 13.9018 0.0483 0.1613 0.2659 11.3082 145.7664 5.6489 4.5701 13.7866 1.2083 0.4341 0.6334 44.7634 82.3961 43.7554 3.9947 56.1665 4.4326 5.7221 14.6201 8.2343 5.0634 15.7098 12.2866 12.3932 1.4028 21.2163 5.8767 9.9052 22.9655 8.2459 11.6228 0.1029 7.2626 0.3235 38.6622 28.3806 12.7073 38.9500 11.7290 23.7376 143.5071 293.8849 2.9968 19.1250 208.9500 9.2983 24.8022 32.6552 20.8735 28.8110 42.4411 47.6333 1.3702 82.7971 22.3773 36.2120 44.3281 51.9422 10.6150 17.9669 22.8065 11.3231 0.7684 0.8273 17.6562 23.9138 3.3275 107.2761 -0.01 -0.00 0.00 0.00 -0.01 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.01 0.03 -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 0.01 0.02 -0.01 -0.00 -0.01 0.00 -0.01 -0.03 0.01 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.02 0.04 -0.02 -0.01 -0.01 0.01 0.19 0.45 -0.21 0.12 -0.18 0.56 -0.35 -0.38 -0.30 0.18 0.22 0.06 0.10 0.15 -0.16 -0.02 -0.07 0.08 -0.01 -0.05 0.06 -0.02 -0.06 0.02 0.04 0.04 -0.03 -0.05 -0.04 -0.05 -0.04 -0.03 -0.03 -0.03 0.01 -0.02 -0.03 0.03 -0.05 -0.02 0.06 -0.04 -0.02 -0.03 0.03 -0.01 -0.01 0.04 -0.07 -0.04 -0.11 -0.01 -0.04 0.07 0.00 -0.01 0.09 -0.08 -0.04 -0.12 -0.09 -0.08 -0.13 0.00 -0.04 0.12 0.01 -0.02 0.13 -0.01 -0.05 0.06 -0.00 -0.03 0.04 0.06 0.06 -0.02 -0.05 -0.11 0.06 0.13 0.17 -0.06 -0.05 -0.11 0.03 -0.06 -0.08 -0.03 -0.05 -0.05 -0.04 -0.02 0.01 -0.02 -0.04 0.04 -0.09 -0.02 0.05 -0.03 -0.00 0.09 -0.01 -0.03 0.07 -0.08 -0.07 0.00 -0.13 0.01 0.01 0.09 -0.06 -0.01 -0.11 -0.09 -0.04 -0.16 -0.08 -0.08 -0.10 -0.10 -0.13 -0.11 -0.11 -0.08 -0.18 -0.09 -0.08 -0.13 0.01 -0.05 0.15 0.02 -0.02 0.17 -0.00 -0.03 0.04 -0.10 -0.19 0.11 0.17 0.24 -0.11 -0.01 -0.06 -0.01 -0.07 -0.13 0.12 -0.09 -0.19 -0.03 0.11 -0.09 0.03 -0.03 -0.03 0.05 -0.01 -0.11 0.08 -0.01 -0.08 0.06 0.08 0.12 -0.06 0.09 0.10 -0.06 -0.08 0.02 0.00 -0.05 -0.03 0.04 -0.03 0.02 -0.04 -0.03 -0.05 0.03 -0.01 -0.02 -0.02 -0.01 -0.04 0.01 0.00 -0.01 -0.04 -0.13 0.04 0.02 0.00 -0.06 0.03 0.04 -0.00 -0.07 -0.15 0.10 -0.05 -0.18 0.04 0.08 0.04 -0.06 -0.00 0.05 -0.03 -0.05 0.00 -0.08 0.06 0.03 -0.02 0.02 0.05 0.02 -0.01 0.05 0.05 -0.02 0.06 -0.02 0.01 0.11 0.21 -0.12 -0.10 0.04 -0.00 -0.08 -0.05 0.07 -0.03 0.05 -0.07 -0.05 -0.05 0.06 0.01 -0.08 0.05 0.04 -0.03 -0.04 -0.02 0.00 -0.02 -0.10 0.02 0.02 0.05 0.02 -0.11 -0.11 0.09 -0.10 -0.18 0.11 -0.03 -0.18 0.13 -0.06 -0.22 0.06 0.08 -0.21 0.06 0.09 -0.17 0.01 0.13 0.05 -0.08 0.01 0.08 -0.02 -0.07 -0.00 -0.06 0.04 0.04 0.05 -0.02 0.08 0.02 -0.02 0.14 0.25 -0.15 0.18 0.19 -0.12 0.04 0.24 -0.12 0.07 -0.01 0.03 0.06 -0.01 0.02 0.01 0.15 -0.04 -0.01 0.03 0.06 -0.05 -0.04 -0.03 -0.01 -0.05 -0.03 0.00 -0.01 0.00 0.03 0.00 0.04 0.01 -0.04 -0.04 0.08 -0.03 0.03 0.07 -0.07 -0.02 -0.00 0.01 0.03 -0.01 -0.02 -0.02 0.03 -0.02 0.01 -0.02 0.02 0.04 -0.03 -0.02 -0.05 -0.06 -0.04 -0.19 -0.04 0.08 0.19 -0.04 0.02 0.02 -0.05 -0.00 -0.02 0.00 0.09 0.01 -0.01 0.04 0.00 0.01 -0.01 -0.01 -0.05 0.02 -0.02 0.06 -0.01 0.00 -0.09 -0.08 -0.05 -0.04 0.01 -0.00 0.03 0.02 0.08 0.00 -0.05 -0.07 0.11 -0.03 0.04 0.09 -0.02 0.05 0.07 -0.09 -0.04 0.09 -0.09 -0.02 0.19 -0.09 0.02 -0.03 -0.04 -0.09 -0.02 -0.15 -0.34 -0.02 -0.06 -0.15 -0.23 0.05 -0.22 -0.22 0.14 0.20 0.00 0.05 0.17 0.05 0.12 0.35 -0.05 0.04 0.04 -0.07 -0.01 -0.04 -0.03 0.00 0.11 -0.08 0.04 -0.02 0.07 -0.02 -0.02 -0.08 -0.13 -0.06 -0.14 -0.06 -0.07 -0.08 -0.08 -0.05 0.17 -0.07 0.11 -0.03 -0.02 0.05 0.00 0.10 0.01 -0.03 0.01 0.07 -0.05 -0.02 -0.02 0.00 -0.01 -0.02 -0.03 0.02 -0.02 -0.01 0.01 0.02 -0.01 -0.01 -0.07 0.04 -0.04 0.02 0.05 -0.04 -0.05 -0.02 0.01 -0.01 -0.02 -0.00 -0.07 -0.04 0.02 -0.00 -0.03 0.02 0.02 -0.03 -0.00 -0.12 0.06 0.04 0.19 0.04 -0.05 -0.17 -0.04 0.02 -0.02 -0.04 0.00 -0.10 -0.01 0.05 0.04 -0.02 0.03 0.04 0.02 0.01 0.01 -0.06 0.01 0.02 0.08 0.01 0.03 -0.08 -0.05 -0.05 -0.06 0.04 -0.03 -0.01 0.03 0.07 -0.02 -0.02 -0.11 0.04 -0.05 0.07 0.07 -0.08 0.03 0.09 -0.06 -0.07 0.05 -0.04 -0.07 -0.19 0.08 -0.00 -0.03 -0.01 -0.17 0.01 0.15 0.34 0.01 0.06 0.16 0.22 -0.06 0.23 0.23 -0.08 -0.20 -0.00 -0.02 -0.11 -0.05 -0.11 -0.34 -0.04 0.02 -0.01 -0.04 0.00 -0.13 -0.05 -0.01 0.11 -0.09 0.02 0.02 0.13 0.06 -0.04 -0.06 -0.07 -0.07 -0.12 -0.04 -0.05 -0.09 -0.05 -0.06 -0.25 0.18 -0.14 0.31 0.02 -0.00 0.03 0.11 -0.03 -0.01 -0.04 0.10 0.01 0.02 -0.03 -0.01 -0.06 0.01 -0.05 -0.01 0.01 -0.01 -0.04 0.08 0.01 -0.03 -0.06 0.07 -0.08 0.07 0.09 -0.06 -0.03 -0.00 -0.03 0.05 0.01 -0.03 -0.02 -0.10 0.01 0.01 -0.00 -0.03 0.08 0.01 -0.03 -0.06 -0.05 0.07 0.10 -0.10 -0.07 -0.09 0.00 -0.03 0.05 0.01 -0.03 -0.01 0.01 0.04 0.02 0.01 0.01 0.00 -0.01 -0.06 0.02 0.02 0.06 -0.03 -0.02 -0.06 0.02 0.02 0.06 -0.06 -0.10 0.01 0.01 -0.03 -0.02 0.14 -0.01 -0.02 -0.12 0.05 -0.09 0.12 0.11 -0.13 0.09 0.16 -0.06 -0.05 0.08 -0.04 -0.08 -0.19 0.05 0.00 0.02 -0.03 -0.12 -0.05 0.16 0.19 -0.11 0.09 0.07 0.05 0.00 0.13 0.02 -0.10 -0.10 -0.16 -0.04 -0.06 -0.15 -0.13 -0.17 0.00 -0.04 0.08 0.01 -0.03 -0.03 -0.02 -0.07 0.13 0.03 0.12 -0.06 -0.11 -0.27 0.13 0.01 0.03 -0.06 0.03 0.06 -0.11 0.01 0.10 -0.03 -0.04 0.04 0.03 0.19 -0.03 0.07 -0.13 -0.20 0.25 -0.01 0.06 0.01 -0.05 0.01 -0.04 -0.00 -0.03 -0.03 0.02 0.02 -0.02 0.01 0.05 -0.02 -0.01 0.02 0.00 -0.00 0.07 -0.03 -0.02 0.02 0.00 -0.01 0.05 -0.01 -0.02 0.03 -0.02 0.10 -0.02 -0.04 -0.01 0.06 -0.02 -0.03 0.03 -0.08 0.08 -0.13 -0.08 0.15 0.04 -0.02 -0.02 0.06 -0.08 -0.03 0.04 -0.12 -0.07 -0.08 0.14 -0.06 -0.06 0.10 -0.01 -0.06 0.05 -0.09 -0.02 0.04 0.04 -0.07 0.06 -0.05 0.10 -0.15 0.02 0.01 -0.01 0.01 0.05 -0.04 -0.01 0.01 0.02 0.04 0.07 -0.05 -0.03 0.11 -0.03 -0.07 0.02 -0.00 -0.00 -0.00 0.02 0.16 -0.03 -0.04 -0.03 0.02 -0.11 0.06 -0.17 -0.09 0.14 -0.16 -0.10 0.01 -0.13 -0.07 0.10 0.05 -0.01 0.22 0.01 -0.03 0.17 0.11 0.00 -0.03 0.07 -0.10 -0.04 0.04 -0.18 0.02 0.11 -0.05 -0.14 0.01 0.04 0.02 -0.17 0.08 0.01 0.14 -0.22 0.00 0.08 -0.15 -0.17 0.14 -0.17 -0.01 0.01 0.01 0.01 -0.00 -0.01 -0.02 -0.03 0.02 -0.02 -0.03 0.02 -0.01 0.00 -0.00 -0.01 -0.00 -0.00 0.02 0.02 -0.10 0.00 -0.01 -0.13 0.00 -0.02 -0.13 -0.01 -0.06 -0.11 -0.01 -0.07 -0.11 -0.00 -0.01 -0.13 -0.00 -0.01 -0.13 0.04 0.04 0.04 -0.01 -0.02 0.02 -0.01 -0.01 0.03 0.07 0.11 0.09 0.08 0.14 0.10 -0.02 -0.02 0.19 -0.02 -0.02 0.20 -0.02 -0.03 0.02 -0.02 -0.02 0.02 -0.01 -0.01 0.01 -0.02 -0.01 0.01 -0.00 -0.01 0.01 -0.00 0.03 -0.02 0.05 0.09 -0.13 0.01 -0.00 -0.12 0.00 -0.02 -0.13 -0.02 -0.07 -0.07 -0.02 -0.09 -0.13 -0.03 -0.10 -0.14 -0.01 -0.08 -0.07 0.00 -0.05 0.09 -0.02 -0.01 0.06 0.04 0.04 0.06 0.08 0.12 0.23 0.12 0.22 0.04 0.12 0.26 0.04 0.10 0.16 0.24 0.06 0.09 0.08 -0.03 -0.01 0.33 -0.03 -0.02 0.35 -0.02 -0.03 0.02 -0.02 -0.01 0.01 -0.00 -0.01 0.01 0.01 0.04 -0.04 0.02 0.02 -0.02 -0.03 0.04 -0.03 -0.07 -0.06 -0.13 -0.16 0.02 -0.03 -0.11 -0.15 0.15 0.05 0.09 -0.04 -0.03 0.00 -0.03 -0.00 0.06 -0.05 0.02 0.02 0.01 0.08 0.02 0.12 0.08 -0.02 -0.07 0.20 -0.07 0.11 0.22 -0.04 -0.04 0.05 0.03 0.07 0.05 0.00 0.00 -0.01 0.02 -0.02 0.03 0.06 0.05 0.01 -0.00 0.02 -0.01 0.04 -0.03 -0.04 -0.03 -0.05 -0.00 0.05 0.08 -0.01 0.02 0.08 -0.03 -0.02 0.04 -0.02 0.02 -0.03 -0.00 0.07 -0.06 -0.04 -0.02 -0.02 -0.07 0.03 -0.06 -0.06 -0.07 -0.00 -0.07 0.04 0.02 0.06 0.06 0.21 0.05 -0.04 -0.17 0.18 -0.07 0.18 0.26 -0.13 0.14 0.32 -0.05 -0.06 0.22 -0.03 -0.12 -0.02 0.06 -0.04 0.00 -0.03 -0.02 0.02 0.10 -0.01 -0.05 0.05 -0.09 0.00 -0.01 -0.00 -0.01 -0.06 -0.04 -0.07 -0.01 -0.07 -0.05 -0.06 -0.06 -0.02 0.07 0.10 -0.04 0.02 0.11 0.11 0.16 -0.15 -0.06 -0.08 0.01 -0.10 0.07 -0.02 -0.07 -0.10 0.00 -0.12 -0.06 0.02 -0.03 -0.11 -0.01 0.01 -0.08 -0.13 0.13 0.03 0.20 0.03 -0.10 0.10 0.01 0.09 -0.06 0.05 0.04 -0.02 0.07 0.05 -0.02 -0.00 -0.02 -0.02 -0.03 -0.03 -0.07 -0.03 -0.02 0.01 -0.08 -0.01 -0.06 -0.09 -0.01 0.01 -0.01 -0.02 -0.05 -0.03 -0.03 -0.01 -0.04 -0.01 0.01 -0.03 0.01 -0.05 -0.06 -0.03 0.03 -0.03 0.05 0.02 -0.06 -0.02 0.01 -0.07 0.01 -0.03 -0.08 -0.01 0.01 0.05 0.05 0.01 0.10 0.16 -0.04 0.11 0.13 -0.04 0.06 0.11 -0.02 0.07 -0.00 0.02 -0.07 -0.22 0.08 0.04 -0.03 -0.02 -0.02 -0.04 -0.11 -0.02 -0.01 0.06 -0.08 -0.00 -0.07 -0.11 0.01 -0.08 -0.13 -0.01 0.01 -0.09 -0.01 0.04 -0.06 -0.02 0.02 -0.07 -0.06 0.07 -0.03 0.04 0.01 -0.05 0.07 0.07 -0.00 0.09 0.00 -0.06 -0.03 0.01 -0.08 -0.01 0.01 -0.06 -0.04 0.02 -0.08 0.03 -0.04 -0.10 -0.01 0.03 0.00 0.15 -0.10 0.03 0.07 -0.00 0.04 -0.13 0.07 -0.13 -0.40 0.15 -0.30 -0.15 0.07 0.13 -0.31 0.11 0.07 0.05 0.18 0.07 -0.04 -0.05 0.00 -0.07 -0.00 0.04 0.16 -0.20 -0.01 -0.02 0.01 -0.06 -0.12 0.06 0.06 -0.03 0.00 0.06 -0.02 -0.02 0.04 -0.05 0.02 0.04 -0.04 0.00 0.05 -0.03 0.01 0.03 0.00 -0.04 0.01 -0.03 0.03 -0.03 0.01 -0.00 -0.00 0.07 -0.11 -0.07 -0.05 0.12 -0.03 0.15 -0.01 -0.14 -0.10 -0.01 -0.08 0.06 -0.07 -0.11 0.01 0.08 0.01 0.03 -0.06 -0.00 0.01 -0.00 -0.05 -0.10 0.05 0.02 0.06 -0.03 0.02 -0.04 0.04 0.03 0.09 -0.04 0.08 -0.04 0.00 0.07 0.00 -0.02 0.04 -0.07 0.02 0.03 -0.05 0.03 0.04 -0.07 -0.02 0.06 -0.02 0.02 0.04 -0.02 -0.01 -0.08 0.03 -0.01 -0.11 -0.10 0.21 0.01 0.17 -0.04 -0.11 0.19 0.04 0.01 0.20 -0.03 -0.15 -0.16 0.03 -0.22 -0.07 -0.08 -0.13 -0.14 0.03 -0.11 0.10 -0.12 -0.17 0.00 0.14 0.06 0.19 -0.24 0.06 0.15 -0.07 0.07 -0.03 -0.02 0.05 0.14 -0.06 0.12 0.07 -0.06 -0.04 0.15 -0.03 0.02 0.03 0.08 -0.03 -0.06 -0.17 0.01 -0.09 0.07 -0.01 -0.01 0.01 0.08 0.06 -0.03 -0.01 -0.14 0.06 -0.10 0.05 0.00 -0.07 0.03 0.06 -0.06 0.03 -0.05 -0.02 -0.01 0.05 0.00 0.01 -0.03 -0.05 0.01 0.03 -0.04 0.03 -0.02 -0.02 0.01 0.00 -0.02 -0.01 0.03 -0.02 0.03 -0.03 -0.03 -0.14 0.01 0.08 0.10 -0.02 -0.01 -0.01 0.05 -0.00 0.01 0.02 0.03 0.01 0.00 0.09 0.11 -0.07 0.00 -0.10 0.03 0.14 0.23 -0.12 -0.01 -0.04 -0.01 0.02 -0.09 0.05 -0.15 0.07 0.00 -0.09 0.03 0.10 -0.07 0.05 -0.10 -0.03 -0.01 0.08 0.02 -0.05 0.07 0.05 -0.00 -0.05 -0.00 0.02 -0.05 0.01 0.00 -0.00 -0.00 0.05 -0.07 -0.06 -0.11 0.08 0.03 -0.18 -0.09 -0.06 -0.24 0.07 0.13 0.16 -0.05 0.14 0.08 0.07 0.05 0.11 -0.07 -0.01 -0.02 0.07 0.02 0.01 0.03 0.01 0.06 -0.07 0.21 0.36 -0.19 0.00 0.04 -0.01 -0.05 -0.23 0.13 -0.11 -0.04 -0.00 0.19 -0.11 0.10 0.06 -0.02 0.01 0.12 0.02 0.14 0.02 -0.05 -0.13 -0.03 -0.02 -0.14 0.01 -0.03 0.02 -0.01 0.06 -0.02 -0.11 0.06 0.01 -0.05 0.04 0.10 -0.05 0.03 -0.07 0.04 -0.06 0.10 0.08 0.00 -0.04 -0.06 0.04 0.01 -0.06 0.04 0.00 -0.03 0.02 -0.00 -0.03 0.01 -0.07 -0.05 0.04 0.08 -0.04 -0.13 0.00 0.07 0.10 -0.03 -0.02 0.01 -0.03 -0.03 0.03 0.09 -0.02 -0.05 -0.11 -0.03 -0.06 -0.03 -0.02 0.04 -0.04 -0.01 -0.11 0.02 0.05 -0.01 -0.00 0.07 0.04 0.07 -0.19 0.09 0.01 -0.07 0.09 0.19 -0.08 0.01 -0.16 -0.01 -0.07 0.20 0.11 -0.16 0.12 0.20 -0.00 -0.06 0.06 0.04 -0.12 -0.00 0.03 -0.01 -0.04 0.06 0.13 -0.06 -0.09 0.08 0.01 -0.18 -0.14 -0.08 -0.27 0.07 0.12 0.16 -0.06 0.12 0.09 0.05 0.04 0.12 -0.09 -0.02 0.01 -0.06 -0.02 0.03 0.16 -0.03 -0.06 -0.10 -0.00 -0.18 0.04 0.08 -0.12 -0.05 0.05 0.13 0.09 0.16 0.01 0.10 0.06 0.03 0.06 0.03 0.08 0.19 0.07 0.04 0.15 -0.17 -0.06 -0.06 0.00 -0.10 -0.01 -0.05 0.15 -0.07 -0.16 0.08 -0.05 0.07 -0.00 0.02 0.04 -0.03 -0.01 0.06 0.01 0.02 -0.01 -0.05 0.01 -0.00 -0.04 0.04 0.05 -0.03 -0.02 0.08 -0.00 -0.03 0.04 0.00 -0.01 0.05 -0.05 0.03 0.13 0.01 -0.06 0.03 0.03 -0.04 0.00 -0.05 -0.01 0.12 -0.05 0.06 0.14 -0.02 -0.01 -0.10 -0.07 -0.10 -0.10 0.02 -0.13 -0.19 0.03 -0.06 -0.02 0.12 -0.14 -0.04 -0.00 0.01 -0.09 -0.04 0.12 0.09 -0.02 0.02 0.04 -0.04 -0.02 0.07 0.03 0.05 -0.02 -0.05 0.03 -0.03 -0.07 -0.02 -0.02 -0.06 0.02 -0.02 -0.03 0.09 0.05 0.02 -0.02 0.15 0.04 -0.10 0.06 0.04 -0.06 0.01 0.04 -0.05 0.01 0.03 -0.04 -0.04 -0.10 0.02 -0.01 -0.05 -0.09 0.02 -0.03 0.02 0.14 -0.08 0.10 0.17 -0.01 -0.03 0.09 -0.07 -0.11 0.04 0.15 -0.16 0.06 -0.12 -0.14 -0.21 -0.16 0.25 -0.24 -0.00 0.10 0.14 -0.13 0.16 -0.01 0.01 0.03 0.00 0.00 0.01 -0.00 -0.03 -0.01 -0.02 -0.04 0.01 -0.00 0.04 -0.02 -0.01 0.02 -0.01 -0.03 -0.08 -0.07 -0.00 -0.03 -0.01 -0.00 -0.03 -0.03 0.09 0.12 -0.08 0.12 0.16 -0.12 -0.02 -0.03 0.10 -0.02 -0.03 0.11 -0.03 -0.06 0.01 -0.01 -0.03 0.01 -0.01 -0.03 0.08 0.01 0.02 0.08 0.00 0.03 0.09 -0.00 -0.04 -0.10 -0.00 -0.03 -0.05 -0.01 -0.03 -0.00 -0.01 -0.00 -0.00 -0.02 -0.00 0.00 -0.00 0.03 -0.02 -0.01 -0.00 0.01 -0.03 -0.02 0.00 -0.04 -0.07 -0.07 -0.02 -0.06 -0.02 -0.02 -0.07 -0.08 0.07 0.13 -0.19 0.15 0.17 0.00 0.20 0.29 -0.01 0.12 0.19 -0.30 -0.06 -0.13 0.04 -0.01 -0.03 0.10 -0.04 -0.09 0.04 0.04 0.04 0.28 0.08 0.18 -0.00 0.10 0.21 -0.01 -0.03 0.08 0.31 -0.04 -0.10 0.04 0.01 -0.04 -0.21 0.01 -0.03 -0.13 -0.01 -0.04 0.00 -0.00 0.03 -0.02 -0.00 -0.01 -0.01 -0.04 -0.06 0.02 -0.08 -0.00 -0.00 0.01 -0.04 0.01 0.06 -0.05 -0.03 0.06 -0.02 -0.02 -0.13 0.03 0.04 0.02 0.05 0.02 0.02 -0.07 0.02 -0.04 -0.03 -0.01 0.00 -0.02 -0.01 0.00 0.02 0.00 -0.01 -0.02 0.00 0.02 0.11 -0.04 -0.02 0.01 -0.00 -0.01 0.02 0.08 -0.02 -0.01 0.00 -0.00 -0.02 0.00 -0.02 0.03 0.10 -0.05 -0.02 -0.13 0.01 0.03 0.03 -0.02 -0.02 0.02 -0.07 0.03 0.11 -0.07 0.00 -0.05 -0.03 0.03 -0.02 -0.00 -0.02 -0.10 -0.03 -0.01 -0.08 0.04 -0.07 -0.05 0.03 -0.03 -0.07 0.18 0.05 0.18 -0.00 -0.02 -0.01 -0.00 -0.00 -0.03 -0.01 -0.02 0.02 0.11 0.12 -0.14 -0.00 0.23 -0.00 -0.10 0.01 0.00 0.03 -0.05 0.03 -0.01 -0.03 0.01 -0.05 -0.04 -0.28 -0.01 -0.04 -0.01 0.02 0.04 0.14 0.04 0.13 -0.02 -0.03 -0.03 0.02 -0.02 -0.02 0.00 -0.01 -0.02 0.03 -0.10 0.06 0.17 -0.09 -0.00 -0.11 0.06 0.08 -0.05 0.09 -0.11 -0.05 0.06 -0.07 -0.12 0.08 0.23 0.28 0.37 -0.00 0.21 0.23 0.05 0.19 -0.00 -0.00 0.00 0.01 -0.01 -0.02 0.02 -0.01 -0.02 -0.03 -0.04 0.01 0.02 0.03 -0.02 0.02 0.02 -0.01 0.00 0.01 0.01 -0.00 0.03 0.02 -0.01 -0.00 -0.00 0.02 0.00 0.02 0.02 -0.01 0.00 -0.03 0.02 -0.00 -0.03 0.02 -0.00 0.01 0.01 -0.00 -0.02 0.00 -0.01 -0.02 0.02 0.01 0.02 0.04 0.01 0.01 -0.02 -0.04 -0.01 0.00 -0.01 -0.01 0.01 0.01 -0.01 -0.03 0.01 -0.01 -0.03 0.02 0.01 -0.01 0.01 0.01 0.00 0.00 0.00 -0.01 0.00 0.00 -0.02 0.02 -0.01 0.01 0.01 0.01 0.06 0.03 -0.02 -0.03 -0.01 0.03 -0.00 0.04 0.03 -0.01 0.02 0.02 -0.02 -0.00 0.03 -0.02 -0.01 -0.00 0.03 -0.01 -0.02 0.03 0.03 -0.09 -0.29 -0.18 0.17 0.03 0.39 -0.01 0.40 -0.17 -0.27 -0.24 0.11 0.15 -0.14 -0.39 0.14 0.28 0.12 -0.01 0.00 -0.01 -0.01 0.01 0.01 -0.04 -0.06 0.04 0.01 0.01 0.00 -0.00 -0.01 0.01 -0.02 -0.06 0.04 -0.05 -0.01 0.01 0.05 -0.05 0.02 -0.01 -0.01 0.01 0.02 -0.05 -0.07 -0.01 0.03 -0.02 -0.05 -0.04 0.04 0.06 0.11 -0.05 0.05 0.09 -0.04 0.04 0.01 0.01 0.02 0.04 0.01 -0.00 -0.02 0.03 0.03 0.02 0.02 -0.01 -0.06 0.05 -0.03 0.03 -0.01 -0.04 0.01 0.01 0.04 0.02 -0.02 -0.03 0.02 -0.02 -0.06 0.00 0.05 0.01 0.09 -0.09 0.02 0.01 -0.03 -0.04 0.02 -0.04 -0.05 0.01 0.00 -0.03 -0.05 0.04 -0.04 -0.10 0.05 0.00 -0.05 0.02 0.01 -0.01 0.01 0.01 -0.04 0.00 0.02 -0.05 0.07 0.03 -0.00 0.02 0.04 0.06 0.02 -0.00 -0.05 0.04 0.10 0.02 0.00 -0.00 0.07 0.01 -0.08 -0.10 0.02 0.03 -0.11 0.11 0.05 0.03 -0.02 -0.06 -0.00 0.10 0.11 0.20 -0.09 -0.09 0.12 -0.19 -0.00 0.01 -0.05 0.37 0.19 -0.18 -0.15 0.14 0.31 -0.13 -0.31 -0.23 -0.05 0.03 -0.07 -0.06 0.01 0.01 -0.07 -0.10 0.10 0.01 -0.02 0.01 -0.00 -0.03 0.01 -0.06 -0.15 0.15 -0.11 -0.02 0.07 0.18 -0.13 0.09 0.01 -0.00 -0.01 -0.01 0.02 0.02 -0.02 0.01 0.02 0.01 0.01 0.01 -0.02 -0.04 0.02 -0.02 -0.03 0.01 -0.01 -0.00 0.00 -0.01 -0.02 0.02 -0.00 0.00 0.02 -0.03 -0.05 0.03 -0.02 -0.01 0.02 0.01 -0.02 0.01 0.01 -0.01 0.02 -0.01 -0.00 -0.02 0.01 -0.01 0.01 0.02 -0.01 0.02 -0.02 0.02 -0.05 0.05 0.03 -0.06 0.01 -0.01 -0.01 0.02 -0.01 -0.01 0.01 0.02 -0.00 0.01 0.04 -0.02 -0.00 0.02 -0.01 -0.00 0.00 -0.01 0.00 0.01 -0.01 0.01 0.02 -0.01 -0.02 -0.02 0.01 -0.02 -0.02 0.03 0.00 0.01 0.03 -0.07 -0.05 0.08 -0.03 -0.10 0.01 0.01 -0.02 0.02 -0.04 0.01 0.03 -0.01 -0.01 -0.02 0.01 -0.01 0.03 -0.10 -0.31 -0.28 0.13 0.01 0.33 -0.10 0.42 -0.23 0.35 0.18 -0.18 -0.03 0.11 0.23 -0.09 -0.18 -0.26 0.02 -0.02 -0.03 0.02 -0.01 -0.02 0.02 0.04 -0.01 0.00 0.01 -0.01 0.00 0.01 -0.01 0.02 0.06 -0.03 0.06 0.01 -0.01 -0.04 0.05 -0.01 -0.02 0.03 0.02 -0.02 0.02 0.04 0.13 -0.13 -0.11 -0.01 -0.03 -0.11 -0.00 -0.01 0.01 0.01 -0.01 0.02 -0.00 -0.00 0.02 0.00 0.04 0.05 -0.02 -0.01 0.02 0.07 0.15 -0.01 -0.02 -0.05 0.05 -0.03 0.02 0.08 -0.03 0.01 -0.01 0.00 -0.00 0.00 -0.01 -0.00 0.04 -0.01 0.01 -0.15 -0.00 0.02 -0.01 -0.00 -0.02 -0.01 -0.02 -0.00 0.15 -0.01 -0.00 0.01 0.02 -0.05 -0.08 0.02 0.01 0.01 0.01 0.01 0.02 0.01 0.01 0.02 -0.01 0.02 0.03 -0.06 -0.01 -0.10 -0.02 -0.01 0.03 0.00 0.03 0.04 -0.02 -0.02 0.02 0.25 0.16 -0.18 0.03 0.37 0.06 -0.20 -0.12 0.00 0.08 -0.18 0.17 0.01 0.00 0.00 0.00 0.02 -0.32 -0.01 -0.05 -0.07 0.02 0.03 0.09 -0.02 0.13 -0.06 0.16 0.05 -0.07 -0.09 0.04 0.14 -0.08 -0.18 -0.11 -0.03 0.01 0.25 -0.01 -0.00 0.01 0.02 -0.07 -0.11 -0.00 0.01 0.03 -0.02 0.02 0.04 0.01 -0.07 -0.18 -0.11 0.00 -0.11 -0.14 0.01 -0.11 -0.03 0.01 0.06 0.00 -0.05 -0.05 -0.01 0.08 -0.02 0.11 0.17 -0.12 0.06 0.12 -0.05 0.08 0.13 -0.05 -0.04 -0.02 -0.00 -0.02 -0.05 -0.01 0.02 0.03 0.00 -0.08 -0.04 -0.00 -0.02 0.08 -0.02 0.07 -0.02 0.01 0.07 -0.02 -0.01 -0.06 -0.03 0.02 0.05 0.04 0.01 0.03 -0.03 -0.11 -0.06 -0.12 0.06 -0.03 -0.01 0.02 -0.01 0.04 0.10 -0.01 0.01 0.00 0.02 0.02 -0.00 -0.05 -0.14 0.08 -0.00 -0.05 0.04 -0.02 -0.06 0.05 -0.02 -0.05 0.03 -0.02 -0.05 -0.00 -0.03 -0.02 -0.00 -0.05 -0.10 -0.03 0.03 0.08 0.01 -0.19 -0.05 0.05 -0.04 -0.15 -0.03 0.08 0.14 0.02 -0.08 0.16 -0.10 -0.07 -0.04 0.03 0.02 -0.07 -0.23 -0.19 -0.36 -0.02 0.13 -0.18 0.27 -0.10 0.07 -0.03 0.04 0.04 -0.02 -0.05 0.01 0.11 -0.06 -0.07 -0.03 -0.03 0.06 0.17 -0.05 0.01 0.00 0.12 0.14 -0.11 -0.03 -0.09 0.06 -0.02 -0.03 0.04 -0.05 -0.18 0.03 -0.19 -0.01 0.01 0.09 -0.13 0.00 0.00 -0.00 -0.01 0.00 0.00 0.00 0.04 -0.05 -0.04 -0.04 -0.04 -0.00 0.00 -0.01 0.01 0.00 -0.01 0.01 0.05 -0.00 0.02 0.01 -0.00 -0.01 0.01 0.00 0.06 -0.07 -0.09 0.05 0.04 0.16 -0.01 -0.02 -0.00 -0.01 -0.02 -0.00 0.04 0.07 0.01 -0.00 -0.03 -0.01 0.03 -0.05 -0.01 -0.09 0.05 0.08 -0.06 0.04 -0.02 0.01 -0.06 -0.01 0.09 -0.06 -0.01 -0.04 -0.01 -0.02 -0.02 0.01 0.01 0.00 0.01 0.00 0.00 0.01 0.01 0.00 0.01 0.00 0.00 -0.00 0.00 -0.01 0.07 -0.02 0.03 0.03 0.02 -0.02 0.01 -0.02 0.08 -0.30 -0.10 0.23 -0.00 -0.35 -0.02 0.29 0.33 0.11 -0.07 0.33 -0.27 0.07 0.02 -0.01 -0.05 -0.03 -0.18 0.15 0.19 -0.06 -0.06 0.12 -0.15 0.05 0.01 -0.03 0.03 -0.03 0.01 0.02 -0.01 -0.01 0.05 -0.03 0.02 -0.08 0.01 0.17 -0.06 -0.01 -0.08 -0.03 -0.06 0.01 0.01 0.01 0.00 0.00 0.00 0.01 0.01 0.00 -0.02 0.00 -0.00 -0.01 -0.02 0.01 -0.01 -0.02 0.03 0.03 -0.02 0.00 0.02 -0.01 0.02 0.00 0.06 0.04 -0.02 0.02 0.01 -0.01 0.01 0.02 -0.01 -0.03 0.01 -0.00 -0.01 -0.06 0.03 0.01 -0.01 0.02 -0.01 0.02 0.00 -0.03 -0.02 0.03 0.04 -0.07 0.09 0.03 -0.08 0.06 -0.04 0.06 -0.05 0.02 -0.04 0.05 -0.02 -0.11 0.02 -0.03 0.11 -0.04 0.11 0.19 -0.10 -0.04 -0.05 -0.01 -0.05 -0.08 -0.02 0.02 0.01 -0.01 0.00 -0.03 -0.01 -0.00 -0.01 -0.00 0.01 -0.03 -0.00 -0.02 -0.00 0.01 -0.00 -0.02 -0.03 -0.03 -0.01 0.00 -0.04 -0.11 0.02 0.02 0.03 0.03 0.03 0.02 -0.08 -0.02 0.09 0.03 -0.07 -0.04 0.02 -0.01 -0.04 0.07 -0.04 0.06 -0.05 -0.04 -0.16 -0.01 0.05 0.26 0.02 -0.15 0.14 -0.17 0.02 -0.02 0.02 -0.09 0.13 -0.03 0.39 0.03 -0.26 0.18 0.54 -0.05 -0.06 -0.02 -0.07 -0.07 -0.08 -0.08 0.07 0.06 -0.05 0.01 -0.04 0.00 -0.01 -0.00 -0.00 0.01 -0.04 -0.05 -0.04 -0.01 -0.03 -0.01 -0.02 -0.03 -0.09 0.21 0.15 -0.16 0.05 0.22 -0.11 0.07 0.06 0.03 -0.03 0.08 0.17 -0.10 -0.07 0.10 -0.05 -0.06 0.00 0.03 0.00 -0.01 0.06 -0.01 -0.03 0.01 -0.02 -0.01 -0.00 0.01 -0.00 0.01 -0.03 -0.02 0.06 -0.04 -0.05 0.03 -0.03 0.04 0.00 0.02 0.01 0.02 0.00 -0.08 0.03 0.02 0.03 -0.02 -0.00 -0.03 -0.07 0.03 -0.05 0.03 -0.03 -0.07 0.02 -0.00 0.04 -0.01 0.00 0.10 -0.11 -0.13 0.04 -0.05 -0.07 0.17 -0.13 -0.10 -0.08 0.03 -0.00 0.16 -0.15 -0.18 -0.02 0.05 -0.01 0.00 0.08 0.01 -0.03 -0.01 -0.03 -0.03 -0.01 0.08 -0.01 -0.05 -0.01 0.03 0.02 -0.02 -0.01 0.02 -0.06 0.04 0.01 0.01 -0.09 0.03 0.07 0.02 -0.05 -0.02 0.06 -0.03 0.02 0.01 0.01 -0.01 0.02 -0.08 0.03 -0.15 -0.01 0.04 -0.05 -0.18 0.03 -0.07 0.07 -0.03 -0.06 0.02 0.01 0.01 -0.01 0.09 0.23 -0.17 -0.11 -0.04 -0.01 -0.05 0.23 -0.22 -0.25 0.08 -0.13 -0.19 0.08 -0.13 -0.20 0.00 0.01 -0.01 -0.02 0.02 0.02 0.05 -0.02 0.00 -0.03 -0.08 0.08 -0.03 -0.01 -0.03 -0.03 -0.03 -0.03 0.08 0.07 0.08 0.08 -0.01 -0.03 0.09 0.01 0.08 0.06 0.07 -0.03 0.06 0.08 0.05 0.07 -0.02 -0.13 0.07 -0.05 -0.07 -0.06 0.14 0.08 0.02 0.00 -0.07 -0.05 -0.09 -0.03 -0.13 -0.11 0.04 -0.04 0.07 -0.05 -0.06 0.00 -0.01 -0.09 -0.05 0.01 0.00 -0.03 0.04 -0.01 -0.00 -0.00 -0.01 -0.01 -0.01 -0.02 0.02 -0.04 -0.00 0.01 -0.01 0.01 0.01 0.03 0.18 0.10 0.06 0.11 0.00 -0.06 0.10 0.02 0.12 0.05 0.08 -0.14 0.05 0.14 -0.01 0.06 0.16 0.12 0.06 0.10 -0.03 -0.05 0.22 0.04 -0.09 -0.17 0.06 -0.25 -0.29 0.00 0.13 -0.23 -0.00 -0.31 -0.11 0.06 0.09 0.00 -0.05 -0.05 0.07 -0.06 -0.10 0.06 -0.17 -0.11 0.05 0.10 -0.14 -0.05 0.12 -0.05 -0.09 0.11 -0.04 0.05 -0.05 0.01 0.01 -0.03 -0.04 0.05 0.08 0.06 -0.00 0.04 0.05 0.00 0.04 -0.06 0.09 0.08 -0.06 -0.05 0.04 0.28 -0.09 0.04 0.01 0.04 0.04 -0.11 -0.04 -0.18 -0.02 -0.01 -0.20 -0.01 -0.04 -0.05 0.00 0.00 -0.02 0.00 0.00 -0.01 -0.03 -0.06 -0.00 -0.03 -0.04 0.00 0.00 0.02 0.04 -0.00 0.02 0.05 -0.02 -0.04 -0.06 -0.00 0.04 0.06 0.01 0.03 0.03 0.02 -0.00 0.01 -0.02 0.03 0.00 0.01 0.04 0.01 0.01 0.05 -0.04 0.09 0.04 0.08 0.01 0.04 0.01 0.01 0.00 -0.05 -0.16 -0.04 -0.09 -0.02 -0.04 0.00 0.08 0.02 0.11 -0.02 -0.08 -0.03 0.01 0.00 -0.03 -0.00 -0.01 0.00 -0.05 -0.06 0.08 -0.03 -0.12 -0.05 -0.04 -0.09 -0.03 -0.04 -0.04 0.07 -0.04 -0.08 -0.04 0.01 0.03 0.01 -0.00 0.03 0.07 -0.00 0.02 0.05 0.12 -0.01 0.00 -0.09 0.10 -0.02 0.01 0.02 0.05 0.01 0.04 0.06 0.01 0.04 -0.03 0.01 0.05 -0.12 -0.01 0.03 0.07 -0.34 -0.05 -0.04 -0.02 -0.06 -0.01 -0.15 0.23 0.35 0.28 -0.04 0.17 0.28 -0.04 0.16 -0.02 0.01 0.03 -0.00 -0.03 -0.01 0.02 0.03 0.05 0.03 0.05 -0.02 -0.04 -0.01 -0.04 -0.00 0.02 -0.05 -0.07 0.07 0.07 -0.09 -0.01 0.09 -0.06 0.02 -0.06 -0.01 0.10 0.03 -0.01 0.07 -0.05 -0.01 -0.06 -0.02 -0.00 -0.03 -0.10 0.09 0.01 0.14 0.00 -0.08 -0.09 0.02 -0.04 -0.04 0.01 0.07 -0.05 0.10 -0.14 0.03 0.01 -0.10 -0.05 0.02 -0.08 0.09 0.05 0.05 0.03 0.01 0.03 0.00 0.01 0.02 -0.01 -0.06 -0.02 -0.01 -0.01 -0.02 0.01 0.01 0.01 0.03 -0.11 0.18 0.03 -0.12 -0.05 0.11 -0.05 0.11 -0.10 0.03 0.11 -0.12 0.05 0.21 0.15 0.03 0.11 -0.02 0.02 0.06 -0.15 0.13 0.05 0.11 0.02 -0.02 -0.01 0.18 0.10 -0.22 -0.11 0.11 -0.12 -0.16 0.10 -0.06 0.21 -0.32 0.09 0.02 -0.12 -0.11 0.04 -0.15 -0.07 0.02 -0.11 -0.03 0.04 -0.08 0.25 -0.02 0.11 -0.03 -0.11 -0.04 0.02 -0.01 -0.03 0.02 -0.05 0.07 0.09 0.06 -0.00 0.05 0.05 -0.00 0.04 -0.09 -0.03 0.19 0.09 -0.16 -0.14 -0.02 -0.04 0.02 -0.03 -0.06 0.07 -0.00 -0.07 0.12 0.05 0.23 -0.02 0.05 0.02 0.01 0.03 0.01 -0.05 0.02 -0.01 0.02 0.03 -0.01 -0.03 0.03 -0.01 0.01 -0.02 0.01 -0.04 -0.03 0.02 0.01 -0.01 0.05 0.02 -0.02 -0.02 0.05 -0.02 0.02 0.04 -0.03 -0.03 0.01 -0.02 0.02 -0.01 -0.01 -0.02 0.01 0.00 -0.00 -0.05 0.04 0.09 -0.08 0.10 0.24 -0.17 0.01 0.18 -0.09 0.02 -0.13 0.07 -0.09 -0.14 0.03 -0.05 0.00 -0.05 0.10 0.03 -0.00 0.07 0.06 -0.05 0.01 -0.07 0.03 0.02 -0.02 -0.01 0.01 -0.02 -0.05 0.02 0.00 0.02 0.03 -0.01 0.00 -0.01 0.07 0.01 -0.02 0.04 0.08 -0.08 -0.08 0.01 0.06 -0.07 -0.02 -0.09 -0.05 0.03 0.01 0.00 -0.01 -0.04 0.03 -0.02 -0.04 0.01 -0.04 -0.01 -0.02 0.01 0.03 -0.00 -0.11 0.06 0.15 -0.18 -0.01 -0.46 0.20 -0.09 -0.24 0.03 0.08 -0.03 -0.18 -0.07 0.01 -0.06 -0.21 0.05 -0.08 0.00 -0.02 0.00 0.01 0.00 -0.01 0.02 -0.00 0.00 0.03 -0.02 0.03 -0.01 0.01 0.01 -0.02 0.02 0.01 -0.02 0.08 -0.01 -0.02 0.01 0.08 -0.01 0.06 -0.02 -0.03 0.03 0.07 -0.04 0.03 0.02 0.04 -0.03 0.02 0.04 -0.03 -0.05 0.08 0.06 -0.16 0.03 -0.03 -0.00 -0.03 -0.07 -0.01 0.20 -0.04 -0.00 -0.13 0.04 0.01 -0.03 -0.04 -0.05 -0.05 -0.07 0.04 0.02 -0.01 0.00 0.00 0.00 -0.01 -0.02 0.01 -0.01 -0.00 -0.00 -0.00 -0.01 -0.00 -0.01 -0.03 0.01 0.00 -0.11 0.04 0.01 -0.08 -0.05 0.11 0.02 0.14 -0.00 -0.02 0.03 0.04 -0.02 0.04 0.09 -0.03 -0.00 -0.01 -0.04 0.03 0.04 0.10 0.09 -0.17 -0.06 -0.12 0.03 0.00 -0.11 0.15 0.33 -0.07 0.14 0.39 -0.02 -0.03 -0.26 0.15 -0.01 -0.35 0.15 0.08 -0.06 -0.21 0.22 -0.06 0.00 -0.07 -0.07 -0.07 0.11 0.05 0.03 -0.03 0.01 -0.01 -0.00 -0.00 -0.01 -0.02 -0.01 0.00 -0.01 -0.04 0.02 -0.00 -0.04 0.02 -0.00 0.02 -0.04 -0.02 0.02 0.04 -0.00 0.09 -0.06 -0.05 0.07 -0.02 0.06 0.00 0.03 0.03 -0.05 0.01 0.04 -0.02 0.09 -0.00 -0.02 0.02 -0.04 0.01 0.04 -0.13 -0.07 -0.03 -0.05 -0.05 -0.03 -0.10 0.07 0.02 0.09 0.06 -0.01 0.00 0.05 0.08 0.13 0.05 0.05 0.22 -0.05 -0.03 0.13 -0.03 -0.01 -0.01 0.03 -0.09 0.02 -0.04 0.07 -0.02 -0.07 0.01 -0.08 0.02 -0.04 -0.02 -0.02 -0.05 -0.02 -0.07 -0.01 -0.01 0.03 -0.01 -0.01 -0.03 0.01 -0.03 -0.04 0.01 -0.01 -0.02 0.22 -0.06 -0.07 -0.07 -0.05 0.03 0.13 -0.15 -0.07 -0.03 0.03 -0.06 -0.09 -0.07 -0.07 -0.10 -0.16 -0.07 -0.04 0.00 0.07 0.09 0.12 -0.08 -0.11 0.16 0.03 -0.07 -0.13 0.03 -0.05 -0.10 -0.24 -0.01 0.01 0.16 -0.28 0.08 -0.09 -0.06 -0.12 -0.02 -0.15 -0.08 -0.07 0.14 -0.22 -0.10 0.01 -0.29 0.19 0.02 -0.08 0.09 -0.00 -0.03 0.00 0.00 -0.08 0.00 -0.04 -0.06 -0.10 0.03 -0.02 -0.08 0.02 -0.02 -0.01 0.04 -0.02 -0.03 -0.03 0.01 -0.08 0.03 -0.01 0.01 0.07 -0.12 -0.01 -0.01 -0.05 0.05 -0.04 -0.04 0.06 0.10 0.03 -0.00 -0.01 -0.07 -0.02 -0.02 -0.01 0.03 -0.04 -0.06 0.04 -0.05 -0.03 -0.07 -0.04 0.02 -0.08 0.01 0.09 0.07 0.19 0.04 -0.06 -0.10 0.09 -0.01 0.02 0.08 0.06 -0.03 -0.01 -0.07 0.03 -0.02 -0.00 -0.13 0.08 0.07 -0.06 -0.10 -0.03 0.03 -0.04 -0.01 0.02 0.07 0.08 -0.01 0.05 -0.05 0.03 0.03 0.06 0.01 0.05 0.04 -0.00 0.02 0.15 0.19 -0.02 0.01 0.03 -0.05 -0.05 -0.13 -0.02 0.06 -0.04 -0.08 0.02 -0.01 -0.05 0.03 -0.04 -0.02 0.03 -0.04 -0.04 0.11 0.26 -0.00 0.03 0.10 0.03 -0.07 -0.17 0.00 0.28 -0.15 -0.08 -0.09 -0.08 0.03 -0.00 -0.09 0.02 -0.28 0.11 -0.11 -0.10 -0.14 -0.02 0.05 -0.19 -0.00 0.17 -0.05 -0.33 -0.03 0.01 -0.04 -0.14 0.08 0.03 0.01 0.05 0.12 -0.03 0.05 0.09 0.10 -0.02 0.04 0.10 -0.02 0.04 0.03 -0.09 0.01 0.05 0.11 0.00 0.13 0.03 0.10 0.08 0.07 0.04 0.02 0.07 0.01 -0.10 0.02 0.04 0.03 -0.01 0.01 -0.00 0.05 -0.04 -0.06 -0.06 0.06 0.04 -0.01 -0.00 0.04 -0.01 0.02 -0.09 0.03 -0.09 -0.13 0.05 0.04 -0.01 0.02 -0.01 0.01 -0.09 -0.04 -0.06 0.07 0.00 -0.00 -0.00 0.00 -0.02 0.02 -0.01 0.01 -0.12 0.05 0.05 -0.06 -0.04 0.13 0.05 0.07 -0.01 -0.13 -0.04 -0.14 -0.06 -0.04 0.04 -0.08 -0.05 -0.10 0.02 -0.08 -0.05 0.01 -0.02 0.07 -0.03 0.02 0.06 0.15 -0.02 -0.09 -0.19 0.06 0.06 -0.01 0.02 0.04 -0.01 -0.01 0.06 0.04 0.07 0.06 -0.02 -0.07 -0.01 0.03 -0.02 -0.00 0.20 0.02 -0.03 -0.01 0.03 0.02 -0.01 -0.01 0.00 -0.02 0.01 -0.02 0.05 -0.02 -0.02 0.03 0.01 -0.02 0.02 -0.01 0.01 -0.12 0.15 0.17 -0.05 -0.06 0.14 0.50 -0.35 0.15 -0.06 -0.08 -0.03 -0.01 -0.19 0.00 -0.07 -0.07 -0.15 0.04 -0.03 -0.07 0.00 -0.04 0.02 0.05 -0.02 -0.01 -0.06 0.01 0.03 -0.01 0.05 0.03 0.06 -0.05 0.01 0.02 0.05 -0.04 0.03 0.03 0.01 0.01 0.00 0.00 -0.01 -0.01 -0.01 -0.02 0.00 -0.01 -0.01 -0.01 -0.00 -0.01 -0.01 -0.01 -0.00 0.03 -0.02 -0.01 0.03 0.01 0.03 0.01 -0.01 0.00 -0.01 0.01 -0.00 -0.02 0.01 -0.00 -0.00 -0.01 0.01 -0.01 0.01 -0.00 -0.01 0.01 0.00 0.02 0.02 0.01 0.05 -0.00 -0.02 -0.04 -0.05 0.01 -0.05 0.03 -0.02 -0.01 0.02 -0.03 -0.07 -0.05 0.02 0.01 0.02 0.02 -0.00 0.00 -0.01 -0.02 -0.02 -0.05 0.01 -0.00 -0.01 0.00 -0.00 -0.02 -0.01 0.01 0.01 0.00 -0.00 -0.00 -0.04 0.01 0.04 0.00 0.02 0.01 -0.08 -0.01 -0.02 -0.00 0.04 -0.02 -0.02 -0.02 -0.01 0.01 -0.00 -0.01 0.00 -0.03 0.02 -0.02 -0.01 -0.01 -0.01 0.03 -0.03 -0.05 0.01 0.00 0.02 -0.27 -0.53 0.70 0.11 -0.05 -0.02 0.07 -0.09 -0.14 0.01 -0.03 -0.05 -0.10 0.04 -0.01 -0.09 0.03 -0.01 -0.01 -0.02 0.01 0.01 0.02 -0.01 -0.02 0.01 -0.01 0.03 -0.03 0.02 -0.02 -0.01 -0.02 0.01 -0.00 -0.02 0.09 -0.01 -0.01 0.07 0.11 -0.04 -0.04 -0.15 -0.01 -0.06 0.01 -0.01 -0.07 -0.03 -0.08 -0.02 0.10 0.18 -0.09 -0.05 0.03 0.00 0.06 0.02 0.06 0.05 0.01 -0.00 -0.05 -0.12 -0.03 -0.01 0.01 -0.03 0.04 -0.02 0.10 0.04 -0.13 0.02 -0.09 0.17 0.01 -0.02 -0.01 0.01 0.01 0.01 0.02 0.01 0.02 -0.02 0.01 -0.00 -0.01 0.01 0.03 0.00 0.00 0.01 0.07 0.04 -0.03 0.11 0.11 -0.15 -0.05 -0.25 0.09 -0.10 -0.01 0.25 -0.10 -0.19 -0.14 0.01 0.10 0.03 -0.06 0.00 -0.26 -0.02 0.08 0.02 0.06 0.06 -0.32 -0.08 -0.06 0.02 0.08 -0.07 -0.06 -0.11 -0.06 0.04 0.01 0.01 -0.02 -0.04 0.04 -0.04 -0.05 0.04 -0.05 0.07 0.09 -0.28 -0.04 -0.10 0.33 0.11 0.07 -0.13 -0.05 0.03 0.00 -0.03 0.03 0.06 -0.02 0.03 0.03 0.03 -0.01 0.01 0.02 -0.00 0.01 0.02 0.09 -0.06 -0.05 -0.11 0.02 -0.05 -0.00 -0.02 0.13 -0.02 -0.01 -0.04 0.01 0.02 0.01 0.00 0.00 -0.04 -0.01 -0.00 0.03 0.19 0.02 -0.09 -0.08 0.01 -0.01 0.09 0.10 -0.04 0.02 -0.01 0.04 0.13 -0.18 -0.07 -0.06 -0.08 -0.04 -0.08 -0.03 0.14 0.04 0.02 -0.06 -0.09 0.11 -0.04 0.01 0.01 0.01 -0.01 0.01 0.09 0.01 0.11 0.02 -0.17 -0.15 0.03 -0.04 -0.04 0.01 0.01 0.01 0.03 0.01 0.01 -0.02 0.03 0.01 0.08 -0.03 0.01 -0.07 0.05 0.04 -0.16 -0.03 0.02 0.06 0.24 0.02 -0.07 -0.06 0.03 -0.00 0.07 0.25 -0.03 -0.02 0.03 0.03 0.10 0.06 0.02 -0.00 -0.18 -0.06 -0.10 -0.02 -0.04 -0.00 0.34 -0.01 0.06 0.02 -0.12 0.05 0.06 0.04 0.03 -0.01 -0.02 0.07 -0.03 0.09 -0.04 0.08 0.02 0.05 0.01 -0.01 0.14 0.23 -0.02 -0.18 -0.27 0.18 -0.10 0.01 -0.03 0.04 0.01 0.08 -0.03 0.02 -0.08 0.06 0.05 -0.05 0.04 0.04 -0.07 0.05 0.05 -0.07 -0.16 0.11 0.07 0.17 -0.06 -0.02 -0.00 0.01 0.01 0.03 -0.07 0.00 -0.05 -0.05 0.01 -0.01 -0.04 -0.03 0.01 0.01 -0.00 0.03 0.02 -0.04 -0.04 -0.00 -0.01 0.03 0.03 -0.02 -0.00 -0.02 0.02 0.02 -0.06 -0.01 -0.05 0.00 0.00 -0.00 -0.01 0.01 0.05 -0.02 0.03 -0.06 0.06 0.01 0.00 -0.00 -0.00 0.00 -0.00 0.04 0.05 0.07 0.02 -0.03 -0.07 -0.01 -0.02 0.02 0.02 0.02 0.00 0.01 0.03 0.01 -0.01 0.01 -0.03 -0.10 0.06 0.06 0.07 -0.05 -0.03 -0.07 0.03 0.01 -0.01 0.02 0.02 -0.04 -0.03 0.00 0.01 0.03 0.03 -0.00 0.03 0.03 0.01 0.04 0.02 0.00 -0.00 -0.09 0.01 0.01 -0.01 0.04 -0.05 0.11 0.01 0.01 0.00 0.00 0.01 0.00 0.02 0.01 -0.00 -0.01 0.01 -0.00 -0.01 0.01 0.00 -0.00 -0.00 0.00 0.04 0.05 0.12 -0.05 -0.04 -0.16 -0.22 -0.51 0.58 -0.07 0.04 -0.02 -0.16 0.11 0.13 0.04 -0.01 0.00 0.12 -0.06 -0.03 0.09 -0.04 -0.02 -0.02 -0.04 0.03 0.01 0.03 -0.03 -0.06 0.03 0.00 0.16 -0.03 -0.04 -0.06 -0.04 -0.01 0.01 0.01 -0.03 0.02 -0.01 -0.06 0.03 0.07 -0.06 0.09 0.15 -0.02 0.02 -0.02 -0.00 0.04 0.02 0.06 0.01 0.04 0.03 0.02 0.14 0.01 -0.03 -0.07 -0.00 0.09 -0.12 0.03 -0.17 0.12 -0.05 -0.05 -0.01 0.02 0.03 -0.04 0.03 -0.10 -0.17 -0.06 -0.08 -0.05 0.05 0.06 -0.07 -0.02 0.03 -0.00 0.01 0.04 0.04 0.02 -0.02 0.04 -0.03 -0.00 0.02 0.06 -0.04 0.02 0.03 0.06 -0.08 -0.04 0.07 0.12 -0.06 0.08 0.16 -0.05 -0.05 -0.03 0.16 -0.00 -0.15 -0.10 -0.08 -0.15 -0.09 0.02 -0.02 0.32 -0.06 -0.14 0.03 -0.18 0.09 -0.13 -0.01 0.02 -0.00 -0.11 0.02 0.03 -0.03 0.01 0.01 0.03 -0.01 0.01 0.09 -0.07 0.05 0.03 0.01 0.00 -0.13 -0.11 -0.15 0.13 -0.03 0.10 0.02 -0.34 0.33 -0.06 0.10 -0.04 -0.04 0.05 0.11 -0.07 0.07 0.06 0.03 0.01 0.02 -0.03 0.04 0.04 -0.00 0.01 0.01 0.00 -0.03 -0.00 -0.00 0.06 0.02 0.00 -0.08 0.03 -0.07 -0.12 0.06 0.03 0.09 -0.04 -0.07 0.05 -0.04 -0.04 0.01 -0.02 -0.02 0.04 -0.03 -0.00 -0.04 -0.05 0.01 -0.05 -0.04 0.04 0.02 0.04 0.02 -0.02 0.30 0.03 0.05 0.03 0.08 0.04 -0.30 -0.00 -0.04 -0.01 0.02 0.00 -0.01 0.00 -0.01 0.01 0.01 0.05 0.08 -0.03 -0.02 -0.05 0.02 -0.09 0.08 -0.00 -0.06 0.02 0.01 0.04 -0.03 0.05 0.10 -0.07 -0.01 -0.01 -0.01 -0.04 0.01 0.02 -0.08 0.09 -0.06 -0.11 -0.06 0.03 -0.04 0.04 -0.12 0.02 -0.04 -0.02 0.01 -0.04 -0.04 -0.07 -0.16 -0.14 0.00 -0.08 0.13 0.04 0.02 0.04 -0.00 -0.07 -0.27 0.03 -0.01 -0.03 0.05 -0.01 -0.04 -0.04 -0.00 0.00 0.03 -0.10 0.04 -0.08 0.02 -0.07 -0.01 -0.07 -0.00 -0.07 0.12 0.47 -0.08 -0.02 -0.05 0.03 0.14 -0.15 0.12 0.26 -0.15 0.00 -0.03 -0.02 -0.02 0.05 0.00 0.05 -0.01 -0.02 -0.11 0.08 0.04 0.01 -0.01 -0.02 -0.01 0.02 0.00 -0.04 -0.01 0.03 -0.00 -0.08 0.03 0.08 0.24 -0.12 -0.07 -0.18 0.08 -0.03 0.02 -0.04 -0.00 0.03 -0.02 0.01 0.05 -0.03 -0.00 -0.01 -0.01 0.00 -0.02 -0.02 0.03 0.02 0.03 0.02 -0.00 0.15 0.01 0.01 0.01 0.05 0.01 -0.15 -0.02 -0.03 -0.01 -0.00 -0.00 0.00 0.01 -0.02 0.01 0.00 0.01 0.03 -0.03 -0.03 -0.02 0.05 0.06 -0.07 0.07 0.14 -0.06 0.01 -0.03 0.03 -0.09 -0.19 0.09 0.01 0.02 0.02 -0.01 0.04 -0.00 -0.05 0.04 -0.04 -0.02 0.01 -0.00 0.00 0.07 -0.08 -0.02 -0.02 0.07 -0.00 -0.07 -0.05 -0.07 -0.11 -0.10 0.00 -0.05 0.13 0.00 -0.02 0.03 -0.02 -0.06 -0.15 0.01 -0.00 -0.01 0.00 -0.00 -0.01 -0.03 -0.00 0.00 0.02 -0.05 0.02 -0.02 -0.01 -0.02 0.00 -0.03 -0.00 -0.04 0.06 0.23 -0.05 -0.03 -0.01 -0.06 -0.11 0.10 -0.26 -0.55 0.27 -0.00 0.04 0.05 -0.05 -0.02 0.05 -0.16 0.07 0.08 0.13 -0.10 -0.03 -0.01 -0.01 0.01 -0.00 0.01 -0.01 -0.05 0.01 -0.02 0.14 -0.06 0.03 -0.04 0.03 -0.02 0.02 -0.04 -0.01 -0.03 -0.01 0.10 -0.12 -0.13 0.04 -0.04 -0.12 0.08 -0.01 -0.07 -0.07 0.01 -0.06 -0.03 0.01 -0.01 -0.04 -0.04 0.03 -0.02 0.01 0.02 0.00 0.08 0.02 0.02 -0.04 0.10 -0.02 0.04 0.01 -0.02 -0.02 0.03 -0.02 -0.01 0.08 -0.02 -0.04 0.14 0.00 0.07 -0.07 -0.04 0.06 -0.02 -0.03 0.06 0.02 0.02 -0.00 -0.02 -0.04 0.02 0.01 0.05 -0.10 0.07 0.05 0.02 -0.01 0.09 -0.15 -0.16 0.08 -0.07 -0.20 0.06 0.16 -0.04 -0.41 0.02 0.25 0.11 0.18 0.16 0.15 -0.04 0.06 -0.33 0.06 0.11 -0.05 -0.05 0.11 0.06 0.04 0.01 -0.01 0.04 0.02 -0.00 0.07 0.01 -0.02 -0.03 0.04 -0.02 -0.02 0.04 -0.01 -0.01 0.02 -0.00 -0.04 0.11 0.03 -0.02 0.14 0.08 0.17 -0.13 0.06 -0.01 -0.06 -0.02 -0.02 0.05 0.11 -0.12 0.08 0.07 -0.08 0.06 0.06 -0.06 0.05 0.05 -0.03 0.01 0.06 0.02 -0.10 -0.04 0.06 0.07 -0.08 0.05 0.08 -0.03 0.08 0.09 -0.05 -0.17 -0.19 0.13 -0.06 0.03 0.02 -0.07 -0.00 -0.05 -0.03 0.02 0.06 0.04 -0.05 -0.06 0.05 -0.01 0.05 0.01 0.03 -0.06 -0.03 0.01 0.02 -0.00 -0.01 -0.00 0.05 0.02 0.07 -0.03 -0.00 -0.03 0.01 0.00 -0.01 0.01 -0.01 0.00 0.04 0.00 -0.02 0.01 -0.07 0.05 -0.15 -0.24 0.22 -0.09 -0.04 0.07 0.10 0.47 -0.21 -0.02 0.04 0.05 -0.02 -0.01 -0.04 0.14 -0.07 -0.07 0.03 -0.01 0.02 -0.11 -0.01 0.05 -0.05 0.03 -0.03 0.06 -0.05 -0.13 0.03 0.03 -0.03 0.06 0.03 0.08 0.03 0.02 0.02 0.02 0.00 -0.01 -0.01 0.05 -0.10 0.03 0.02 -0.01 -0.02 0.02 0.02 0.04 0.02 -0.02 -0.00 -0.01 0.01 -0.01 -0.00 0.00 0.01 -0.02 0.01 0.01 0.06 -0.20 0.01 -0.07 -0.03 0.16 0.15 -0.18 -0.10 0.04 0.07 -0.02 -0.17 -0.05 0.15 -0.10 -0.09 0.05 -0.05 -0.05 0.14 -0.11 -0.09 -0.02 -0.00 0.04 0.01 -0.01 -0.01 -0.00 0.06 0.01 -0.03 -0.01 -0.05 -0.00 0.04 -0.01 0.00 -0.09 0.03 0.16 -0.07 0.00 0.12 -0.01 0.13 0.10 -0.09 -0.12 -0.10 0.10 0.11 -0.13 -0.00 -0.15 -0.00 -0.04 0.16 0.05 0.03 -0.11 -0.00 0.01 0.00 -0.03 -0.06 -0.13 0.01 0.08 0.09 -0.03 0.00 0.01 -0.02 0.02 -0.02 -0.09 -0.07 0.07 0.00 0.12 -0.12 0.01 -0.08 0.08 0.03 -0.06 0.00 0.09 0.13 -0.08 0.02 -0.02 -0.04 -0.02 -0.00 -0.02 -0.07 0.05 0.03 -0.02 0.01 -0.01 0.20 -0.04 -0.09 0.14 -0.15 0.12 -0.10 0.10 0.19 -0.08 0.01 0.10 -0.08 0.01 -0.14 -0.11 -0.03 -0.18 -0.04 0.02 0.00 -0.03 0.02 0.29 -0.07 -0.04 0.02 0.05 -0.04 -0.03 -0.08 -0.03 0.03 -0.01 0.06 -0.03 0.04 0.00 0.01 -0.02 0.07 -0.03 -0.05 -0.16 0.37 0.11 0.13 0.02 -0.06 0.10 -0.11 0.08 -0.02 -0.05 -0.03 -0.04 0.00 -0.07 0.05 0.04 -0.08 0.05 0.04 -0.05 0.03 0.03 0.03 0.02 -0.06 -0.01 -0.04 -0.01 0.01 -0.04 -0.01 0.08 -0.01 0.05 0.03 -0.03 -0.01 -0.14 0.11 0.01 0.03 -0.02 0.05 -0.02 -0.02 0.06 0.05 -0.06 -0.01 -0.05 -0.01 -0.01 -0.04 -0.04 -0.08 0.03 0.02 0.06 0.01 0.05 0.00 -0.00 -0.00 -0.00 0.09 -0.02 -0.07 -0.08 0.09 0.00 0.00 0.00 -0.00 -0.01 0.01 -0.01 -0.02 -0.05 -0.01 -0.01 0.02 -0.06 -0.00 0.04 -0.03 -0.08 0.10 0.04 -0.17 -0.01 0.06 -0.06 0.07 0.10 0.03 0.01 0.03 0.22 -0.14 -0.11 -0.02 -0.00 0.05 -0.01 -0.05 -0.01 0.05 -0.10 0.04 0.05 -0.00 -0.10 -0.03 0.10 0.06 0.05 0.04 -0.02 -0.08 0.02 -0.18 0.01 0.04 -0.02 -0.09 0.10 0.20 -0.00 -0.00 0.01 0.00 0.00 0.01 0.01 0.00 -0.00 -0.02 0.04 -0.02 0.02 0.00 0.02 -0.00 0.03 -0.01 -0.08 -0.00 0.38 0.09 0.03 0.25 0.07 -0.10 0.13 -0.26 0.11 0.14 0.07 -0.01 -0.02 0.23 -0.15 -0.12 0.19 -0.13 -0.12 0.17 -0.12 -0.11 -0.01 -0.00 0.01 0.00 -0.01 -0.01 -0.01 -0.05 0.02 -0.01 -0.00 0.04 0.00 0.01 -0.01 -0.00 -0.03 0.01 -0.02 0.00 -0.04 -0.00 -0.01 -0.03 -0.03 0.02 0.02 0.03 -0.01 -0.02 0.03 0.02 0.04 -0.02 -0.00 0.06 -0.02 -0.01 -0.01 0.01 0.02 0.01 -0.01 0.01 0.03 0.01 -0.02 -0.04 0.01 0.00 -0.00 0.00 0.00 0.00 0.02 0.01 -0.06 0.01 -0.02 -0.08 0.05 0.13 -0.12 -0.05 -0.11 0.04 0.05 0.10 -0.04 -0.01 -0.02 0.00 0.01 0.00 0.02 -0.01 0.01 0.01 0.03 -0.01 -0.04 -0.03 -0.02 0.01 -0.04 0.01 -0.02 -0.05 -0.02 0.04 0.03 -0.09 -0.06 -0.04 -0.02 0.01 0.05 -0.02 0.10 -0.01 -0.02 0.03 -0.01 0.00 0.44 0.01 -0.01 -0.01 0.02 -0.01 -0.03 -0.03 -0.01 0.01 0.02 -0.04 0.02 -0.04 0.01 -0.04 -0.01 -0.02 -0.01 -0.02 0.02 0.47 -0.06 -0.02 0.53 -0.02 -0.05 0.09 0.15 0.30 -0.16 -0.01 -0.00 0.05 -0.01 0.01 0.01 -0.01 0.01 0.00 0.00 0.00 0.01 0.01 -0.00 0.00 -0.00 0.03 0.01 0.02 0.04 -0.04 0.00 0.05 -0.04 -0.00 -0.01 0.01 0.05 0.01 -0.01 -0.01 0.00 -0.02 -0.02 -0.01 -0.02 -0.00 0.02 0.03 0.02 -0.03 -0.04 0.03 0.01 0.04 -0.02 0.02 0.09 -0.02 0.00 -0.05 0.00 0.01 0.01 0.00 0.02 0.03 -0.02 -0.01 -0.03 0.01 0.00 -0.00 0.00 0.00 0.00 0.04 0.01 -0.04 0.02 -0.05 -0.08 -0.09 -0.14 0.12 0.05 0.11 -0.05 -0.01 -0.11 0.02 0.01 0.02 -0.01 -0.02 -0.02 -0.05 -0.03 0.02 0.02 0.05 -0.02 -0.02 -0.06 -0.04 0.03 -0.01 0.02 -0.02 -0.03 -0.03 -0.01 0.02 -0.07 -0.06 -0.02 -0.00 0.03 0.02 0.01 0.08 -0.00 -0.01 0.01 -0.03 0.04 0.48 0.01 -0.00 -0.01 0.01 -0.00 -0.01 -0.01 -0.00 0.00 0.01 -0.03 0.01 -0.02 0.01 -0.02 -0.00 -0.02 -0.00 -0.02 0.04 0.43 -0.04 -0.06 0.50 0.04 0.02 -0.06 -0.11 -0.34 0.16 -0.00 -0.01 -0.08 -0.03 0.02 0.02 -0.02 0.02 0.02 -0.03 0.02 0.02 -0.01 -0.00 0.04 0.01 0.03 0.02 -0.00 -0.02 0.01 -0.08 0.00 -0.00 0.01 0.01 0.01 0.09 -0.04 0.00 0.03 0.04 0.20 -0.05 0.03 0.04 0.15 0.06 -0.00 -0.07 -0.08 -0.13 0.03 -0.05 -0.07 -0.01 0.08 0.08 0.02 0.04 -0.05 -0.03 -0.06 -0.04 0.01 0.04 -0.05 -0.09 0.01 0.03 -0.02 -0.02 -0.00 0.01 -0.03 -0.00 0.08 -0.00 0.04 0.02 -0.17 -0.00 -0.02 0.09 -0.04 -0.03 -0.02 0.04 0.05 -0.02 -0.05 -0.02 0.01 0.05 -0.06 -0.04 -0.13 -0.03 0.02 0.02 0.01 0.00 0.22 0.02 0.07 -0.04 0.15 0.18 -0.14 0.13 -0.07 -0.32 -0.09 0.17 -0.02 0.13 0.02 -0.02 -0.17 0.15 -0.06 0.07 0.12 -0.14 -0.04 0.09 -0.07 0.00 0.07 0.05 -0.14 0.06 0.15 0.18 0.06 -0.06 -0.07 0.16 -0.07 0.13 -0.06 0.17 0.05 0.05 0.06 0.02 0.08 -0.05 0.05 -0.16 -0.13 -0.10 -0.00 0.02 0.06 0.17 -0.03 -0.02 -0.08 -0.19 -0.04 0.03 0.03 -0.02 0.02 0.03 -0.01 0.02 0.03 0.01 0.00 -0.05 -0.01 -0.05 -0.03 0.01 0.04 0.05 -0.05 -0.03 -0.04 -0.01 -0.01 -0.02 -0.13 0.05 -0.02 0.03 -0.02 -0.03 -0.01 -0.10 0.01 0.03 0.06 -0.02 0.01 -0.07 -0.06 0.04 0.06 0.11 -0.07 0.04 0.18 -0.07 0.00 -0.20 -0.00 0.01 0.01 -0.02 0.06 -0.10 -0.07 -0.01 0.07 0.01 -0.00 -0.00 0.00 0.00 0.00 0.10 0.09 0.11 0.02 -0.12 -0.01 0.07 -0.03 0.03 0.04 -0.05 -0.08 -0.06 0.05 0.07 0.04 -0.08 -0.12 0.11 0.08 0.24 0.01 -0.01 -0.02 0.09 -0.04 -0.03 -0.05 -0.10 0.09 0.02 0.06 -0.07 -0.09 -0.05 -0.20 0.01 -0.01 -0.04 -0.03 0.02 0.07 -0.02 0.10 0.22 -0.01 -0.02 0.02 -0.01 0.11 0.01 0.01 -0.01 -0.01 0.03 -0.01 -0.02 -0.02 -0.01 0.00 0.01 -0.03 0.01 -0.02 0.01 -0.03 -0.00 -0.01 -0.01 0.08 0.16 -0.24 -0.04 -0.12 -0.33 -0.10 0.04 -0.06 0.14 -0.10 -0.14 0.03 0.16 0.38 0.04 -0.04 -0.05 -0.01 -0.00 -0.03 -0.02 -0.01 -0.03 -0.00 -0.00 -0.03 -0.01 -0.02 -0.02 0.02 0.01 0.00 -0.04 0.04 -0.02 -0.00 -0.00 -0.01 -0.07 0.02 -0.01 -0.02 0.07 0.18 -0.01 0.15 -0.04 0.03 0.02 0.03 -0.03 0.01 -0.06 0.02 -0.08 -0.10 0.00 -0.00 -0.03 0.06 -0.02 0.09 -0.02 -0.05 -0.04 -0.06 -0.03 0.07 0.09 -0.05 -0.03 -0.03 -0.02 -0.00 0.00 -0.03 -0.00 -0.06 -0.05 -0.05 -0.00 0.04 -0.02 -0.01 -0.03 0.04 0.02 -0.03 -0.07 -0.02 0.03 0.05 0.04 -0.06 -0.10 0.08 0.05 0.18 -0.01 0.01 -0.00 -0.02 0.04 0.20 0.09 0.20 -0.19 0.03 0.16 -0.09 0.10 -0.01 0.11 -0.03 -0.03 -0.09 0.07 -0.01 -0.05 -0.01 -0.03 -0.17 0.07 0.13 -0.14 0.04 -0.15 0.12 -0.00 0.07 0.06 -0.15 0.07 0.15 0.17 0.06 -0.06 -0.07 0.16 -0.07 0.12 -0.06 0.17 0.05 0.03 0.06 -0.02 -0.12 0.17 -0.04 0.03 0.28 -0.05 0.06 -0.03 0.15 -0.16 -0.09 0.01 0.13 0.29 0.01 -0.01 -0.02 -0.03 0.01 -0.01 -0.03 0.01 -0.01 0.01 0.00 0.01 0.01 -0.01 0.01 -0.02 0.04 0.04 0.03 -0.09 -0.04 -0.01 -0.00 -0.00 -0.01 0.01 0.01 -0.09 0.05 0.06 -0.03 0.11 -0.13 -0.10 -0.02 0.10 0.06 0.02 -0.09 0.06 -0.05 0.07 -0.00 -0.02 0.19 0.05 -0.04 -0.17 -0.01 -0.01 -0.00 0.01 -0.04 -0.09 0.09 -0.04 0.05 0.01 -0.01 -0.01 0.00 -0.01 0.00 -0.08 -0.01 0.08 -0.03 0.13 -0.02 0.09 -0.02 -0.02 0.02 0.01 0.06 -0.02 0.00 -0.01 -0.03 0.04 0.05 -0.05 -0.01 -0.09 0.03 -0.02 -0.01 0.08 -0.02 0.07 -0.06 0.05 -0.15 -0.09 0.13 -0.04 -0.04 -0.02 0.32 0.01 -0.28 -0.29 0.06 0.13 0.23 0.13 -0.07 -0.20 0.03 0.04 -0.03 0.03 -0.17 0.10 0.05 0.04 -0.01 -0.07 0.04 0.05 0.08 0.03 -0.04 -0.01 0.02 -0.01 -0.00 -0.00 0.03 0.01 -0.01 0.02 -0.01 -0.07 -0.22 -0.06 0.13 -0.20 -0.01 -0.02 -0.06 -0.19 0.08 0.08 -0.00 -0.07 -0.17 0.01 -0.00 0.00 0.03 -0.02 -0.01 0.03 -0.02 -0.01 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.01 -0.00 -0.01 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.01 0.05 -0.11 0.07 0.03 -0.01 -0.05 0.05 0.02 0.04 -0.08 0.02 -0.09 -0.05 0.03 0.01 0.00 0.03 0.02 0.00 0.00 0.01 0.02 -0.05 -0.00 -0.01 -0.01 0.01 -0.01 0.01 -0.07 0.01 0.02 0.06 -0.04 0.03 -0.02 -0.02 -0.00 -0.00 -0.00 -0.01 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.01 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.02 0.01 -0.09 0.02 0.07 0.16 -0.01 0.10 0.18 0.42 -0.07 -0.18 -0.19 0.31 0.01 0.40 0.12 0.13 -0.29 0.23 -0.33 -0.01 -0.02 -0.03 0.00 -0.04 -0.01 -0.14 -0.00 0.08 -0.02 -0.01 0.02 -0.04 -0.02 0.04 0.01 -0.05 0.04 -0.01 -0.02 0.02 0.08 -0.11 0.10 -0.02 -0.03 0.04 0.00 -0.00 0.03 -0.02 0.01 -0.00 0.01 0.01 -0.01 0.00 0.00 0.01 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.01 0.00 0.00 0.01 -0.01 0.00 0.00 -0.01 0.01 0.02 -0.01 0.01 0.02 -0.01 -0.01 -0.00 -0.01 -0.01 0.01 -0.01 0.00 -0.01 0.01 0.00 0.01 0.00 -0.00 -0.01 -0.00 0.01 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 -0.00 0.01 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.03 -0.05 0.05 0.03 0.09 -0.04 -0.01 -0.03 0.01 -0.06 -0.15 0.07 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.01 -0.01 -0.03 -0.01 -0.00 0.01 -0.00 0.03 0.00 0.00 0.03 0.01 -0.02 -0.00 -0.00 0.01 0.01 0.01 -0.01 -0.02 -0.01 -0.01 0.01 -0.01 -0.00 0.02 0.01 -0.00 -0.01 0.01 -0.00 -0.01 -0.01 -0.00 0.00 0.01 -0.01 0.00 -0.01 0.01 -0.01 -0.01 0.00 -0.01 -0.00 -0.00 -0.02 0.01 0.00 -0.00 0.01 0.00 -0.02 0.36 0.81 -0.39 0.00 0.00 -0.00 -0.01 -0.01 0.01 -0.03 0.01 0.02 0.03 -0.03 -0.01 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.01 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.02 -0.06 0.00 -0.06 -0.01 -0.13 -0.00 0.03 -0.06 -0.10 0.06 0.14 0.09 -0.07 0.08 -0.00 0.01 0.02 0.01 0.01 -0.01 -0.02 -0.02 0.06 0.00 0.00 -0.00 -0.00 -0.00 0.03 0.07 -0.01 -0.01 -0.06 0.04 -0.02 0.01 0.00 -0.02 -0.00 -0.02 -0.01 -0.01 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.01 -0.00 0.00 0.00 0.16 -0.09 -0.00 0.01 -0.08 -0.41 -0.02 0.11 -0.25 0.21 0.07 0.02 -0.24 0.30 0.14 0.47 -0.05 0.06 -0.02 0.09 -0.15 -0.06 -0.06 0.08 0.01 -0.01 -0.13 0.16 -0.02 -0.12 0.04 -0.01 -0.07 -0.06 0.01 -0.01 0.02 0.00 -0.02 -0.00 0.01 -0.05 -0.10 0.11 -0.12 -0.01 0.02 0.14 -0.01 -0.02 0.02 -0.00 0.00 0.01 0.01 -0.02 0.00 -0.00 0.00 0.01 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -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 -0.11 0.03 -0.01 0.12 0.05 0.05 0.08 -0.14 -0.11 -0.07 -0.02 -0.09 0.03 0.03 0.18 0.01 0.01 -0.01 0.00 -0.01 0.01 -0.00 -0.01 0.02 -0.00 -0.01 0.01 0.01 0.01 0.01 0.03 -0.01 -0.01 -0.01 0.02 0.00 -0.03 -0.04 -0.02 0.01 0.04 -0.00 -0.01 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.01 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.45 0.19 -0.04 0.15 0.13 0.09 0.01 -0.22 -0.34 -0.08 -0.01 -0.18 -0.27 0.08 -0.22 0.04 0.17 0.30 -0.11 0.19 0.12 0.04 -0.05 0.03 0.01 0.01 -0.09 0.07 0.02 -0.02 -0.04 0.02 0.02 0.05 0.02 -0.03 0.04 -0.07 0.03 -0.05 0.02 -0.07 -0.05 0.01 -0.06 -0.01 -0.08 0.10 0.06 0.04 0.04 -0.01 0.01 0.00 0.02 0.01 -0.01 0.00 0.00 0.01 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.01 -0.00 0.00 -0.01 0.02 -0.01 0.02 -0.05 -0.04 -0.03 0.08 0.07 0.01 -0.00 0.01 0.03 -0.02 -0.00 -0.08 -0.06 -0.08 -0.07 0.09 0.02 0.06 -0.03 0.12 0.07 -0.02 -0.06 -0.06 -0.04 -0.05 0.04 0.04 0.03 0.09 0.03 -0.04 -0.02 -0.02 0.10 0.03 0.01 -0.06 -0.01 0.03 0.00 0.11 -0.01 -0.01 -0.07 0.07 -0.02 -0.03 -0.08 0.03 0.00 -0.03 0.01 -0.11 0.05 -0.00 -0.05 -0.01 -0.04 0.02 -0.01 -0.01 0.02 -0.00 -0.04 0.04 -0.01 0.05 -0.02 0.01 0.01 -0.07 -0.11 -0.05 -0.13 0.11 0.18 0.13 0.09 0.29 0.14 -0.05 0.13 0.07 -0.08 -0.09 -0.01 0.12 0.09 -0.08 0.02 -0.19 -0.10 -0.19 0.19 -0.02 -0.00 0.02 0.25 -0.04 -0.20 0.09 -0.02 -0.15 -0.13 -0.00 0.01 0.09 -0.13 0.04 -0.10 0.06 -0.19 -0.17 0.10 -0.21 -0.03 -0.08 -0.12 0.14 -0.02 -0.13 -0.03 0.04 0.10 0.12 -0.17 -0.00 -0.00 0.04 0.10 -0.00 0.00 -0.00 -0.02 0.01 0.01 -0.03 0.02 0.01 0.01 0.00 -0.00 0.01 -0.02 0.01 -0.02 0.06 0.07 -0.03 -0.10 -0.11 -0.01 -0.00 -0.01 -0.04 0.02 0.00 -0.01 -0.06 0.01 0.06 0.02 0.05 0.02 0.07 -0.01 0.02 -0.06 -0.02 -0.06 0.02 -0.05 -0.03 0.02 -0.05 0.00 -0.00 0.06 -0.03 -0.05 0.09 -0.04 -0.00 0.07 0.01 -0.03 -0.08 0.10 -0.02 -0.01 -0.09 0.06 -0.03 0.02 0.04 0.03 -0.01 0.00 -0.01 0.12 -0.04 0.00 0.05 -0.01 0.04 -0.03 0.01 0.01 -0.01 0.01 0.01 -0.04 0.02 -0.04 0.01 -0.01 -0.01 -0.07 -0.06 0.02 0.16 0.19 0.09 0.04 0.16 0.02 0.17 -0.05 -0.15 -0.03 0.13 0.03 0.04 -0.02 -0.10 -0.17 0.10 0.02 -0.06 -0.11 0.12 -0.03 -0.06 0.42 0.25 -0.02 -0.18 0.03 -0.00 -0.09 -0.06 0.02 -0.02 0.05 -0.02 -0.02 0.00 0.01 -0.08 -0.16 0.18 -0.21 0.04 0.04 -0.29 -0.11 -0.01 0.17 -0.06 -0.04 -0.14 -0.14 0.08 0.02 -0.00 -0.03 -0.10 0.00 -0.00 0.00 0.02 -0.01 -0.01 0.02 -0.01 -0.01 0.00 -0.00 -0.00 0.00 -0.01 0.00 0.00 0.02 0.03 -0.05 -0.03 -0.04 -0.00 -0.00 -0.00 -0.01 0.00 -0.00 -0.02 0.01 -0.09 -0.15 0.04 -0.01 0.15 -0.10 0.03 -0.09 0.05 0.04 0.08 -0.04 0.02 0.01 0.03 -0.02 0.05 0.02 0.05 0.03 0.05 -0.06 -0.00 0.00 0.01 -0.01 0.00 -0.10 -0.06 0.03 0.01 0.07 -0.03 0.03 0.01 -0.00 0.08 -0.00 -0.01 -0.01 0.03 0.01 -0.00 0.01 -0.01 0.01 -0.00 0.00 0.00 0.01 0.00 -0.01 -0.01 0.01 -0.00 0.00 -0.00 -0.00 -0.05 0.01 -0.09 -0.23 -0.07 -0.03 0.13 -0.21 0.05 -0.00 0.05 0.08 -0.05 0.06 0.09 0.07 0.00 0.07 0.04 -0.01 0.03 0.00 -0.03 -0.01 -0.06 -0.03 0.55 -0.19 -0.03 0.11 0.07 -0.03 -0.01 -0.05 -0.05 0.05 0.01 -0.09 0.07 -0.09 0.03 -0.04 0.09 -0.17 0.12 0.05 -0.01 -0.49 0.00 -0.01 0.09 -0.07 0.00 -0.04 -0.02 -0.03 0.01 -0.00 0.00 -0.01 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.01 -0.00 0.00 -0.01 0.02 -0.00 0.01 -0.04 -0.05 0.03 0.05 0.08 0.01 0.00 0.01 0.02 -0.01 -0.00 -0.00 0.02 0.05 0.13 -0.05 -0.02 -0.11 0.04 -0.04 -0.01 0.01 0.01 0.01 -0.00 0.01 0.03 -0.03 0.03 -0.04 -0.00 0.04 -0.01 -0.01 0.01 0.03 0.01 -0.09 -0.01 0.03 -0.11 0.01 -0.01 -0.01 -0.01 -0.00 -0.01 -0.02 -0.02 0.11 0.01 -0.00 -0.00 -0.07 0.02 -0.00 -0.03 0.01 -0.02 0.01 -0.01 -0.01 0.00 -0.00 -0.00 0.02 -0.02 0.02 -0.00 0.00 0.00 -0.02 0.05 0.04 0.16 -0.09 -0.13 -0.14 0.03 -0.16 -0.02 0.01 -0.04 -0.09 0.03 -0.05 0.07 -0.05 -0.04 0.03 -0.02 -0.03 0.03 0.06 -0.03 -0.04 0.07 0.60 0.04 0.03 -0.00 -0.06 0.03 0.05 0.06 0.02 -0.03 -0.02 0.05 -0.03 0.05 -0.02 0.04 -0.01 0.04 -0.01 0.03 -0.02 -0.59 0.06 0.00 0.02 0.04 0.04 0.09 0.07 -0.03 -0.01 0.00 0.01 0.05 -0.00 -0.00 -0.00 -0.01 0.00 0.00 -0.01 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.01 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.01 0.00 0.00 0.01 -0.01 -0.01 0.00 0.00 0.01 0.00 0.01 0.01 -0.00 -0.00 -0.01 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.04 0.02 -0.00 0.00 0.00 0.00 -0.01 0.00 0.00 -0.01 0.01 -0.08 -0.02 0.01 0.08 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 -0.01 0.01 0.00 0.02 -0.01 -0.05 0.01 -0.01 0.05 0.00 0.00 0.02 0.01 -0.01 0.02 0.01 -0.01 -0.02 0.01 -0.01 -0.02 0.30 -0.13 0.02 -0.01 0.01 -0.01 -0.29 0.06 0.30 0.12 -0.01 0.16 0.45 -0.08 -0.08 0.35 -0.27 0.13 0.12 -0.09 -0.14 -0.21 0.17 -0.34 0.00 0.01 0.01 0.01 -0.00 0.00 -0.01 -0.00 -0.01 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.01 0.02 -0.00 -0.01 -0.03 -0.04 0.11 0.04 0.08 0.00 0.00 0.00 0.01 -0.00 0.00 0.12 -0.07 -0.01 -0.11 0.10 0.07 0.02 0.05 -0.04 -0.04 -0.06 -0.05 0.04 0.04 0.02 -0.10 0.04 0.01 -0.05 -0.05 -0.01 -0.02 0.02 -0.01 -0.02 -0.02 -0.05 0.14 -0.09 -0.00 0.01 0.06 -0.01 -0.02 -0.04 0.03 -0.06 -0.02 0.01 -0.02 0.05 0.01 -0.01 -0.03 -0.01 -0.01 0.01 -0.01 0.00 0.00 -0.00 -0.01 0.01 0.02 0.00 -0.04 0.01 0.00 -0.00 -0.00 0.14 -0.13 0.02 -0.02 0.33 0.21 -0.03 -0.03 -0.16 0.05 -0.05 -0.20 -0.04 0.13 0.05 0.01 -0.08 -0.09 -0.09 0.13 0.26 -0.10 -0.01 0.02 0.12 -0.13 0.11 -0.20 -0.11 0.07 0.33 -0.11 -0.15 -0.09 -0.12 0.08 0.07 0.05 -0.03 0.19 -0.12 0.10 -0.05 0.15 -0.09 -0.02 -0.07 -0.05 -0.18 0.04 -0.10 0.11 0.02 0.09 -0.03 0.04 0.01 0.00 -0.03 0.01 -0.00 0.00 0.00 0.00 -0.00 0.00 0.01 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.01 -0.02 -0.01 -0.01 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.02 0.02 0.00 -0.01 -0.01 -0.02 -0.00 -0.03 -0.02 0.04 0.00 0.01 -0.03 0.01 0.02 0.03 -0.00 -0.01 0.02 0.01 0.01 -0.07 0.02 0.00 0.01 0.00 0.00 -0.03 0.02 0.05 0.06 0.04 -0.03 -0.01 -0.08 0.03 0.01 -0.00 0.05 0.01 -0.01 -0.09 -0.00 0.01 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.01 -0.00 -0.00 0.00 0.00 -0.02 0.07 -0.02 -0.04 -0.04 -0.01 0.00 -0.02 -0.01 0.01 -0.00 0.05 0.05 -0.03 0.00 -0.05 0.06 0.07 -0.01 -0.00 -0.04 -0.21 0.13 -0.03 -0.01 0.01 -0.32 -0.07 -0.09 -0.01 0.29 -0.08 -0.16 -0.07 -0.08 0.04 -0.01 0.16 -0.08 0.30 -0.19 0.25 0.02 0.17 -0.00 0.03 0.00 -0.31 0.00 -0.01 0.53 -0.02 0.00 -0.01 0.02 -0.01 -0.00 -0.00 0.01 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.01 -0.00 -0.00 -0.01 -0.01 0.03 0.01 0.02 0.00 0.00 0.00 0.00 -0.00 -0.00 0.03 -0.01 0.00 -0.03 0.01 -0.01 0.02 -0.00 -0.01 0.01 -0.02 0.01 -0.01 0.03 -0.00 -0.03 0.01 -0.01 -0.01 -0.01 -0.01 0.06 -0.03 0.01 -0.01 -0.00 -0.02 0.03 -0.02 0.06 -0.06 -0.05 0.02 -0.00 0.07 -0.03 -0.01 -0.00 0.06 0.00 0.01 -0.09 -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 -0.02 0.01 0.00 -0.00 0.00 0.07 -0.01 -0.00 -0.01 0.07 0.01 0.02 -0.02 -0.00 0.04 -0.02 -0.03 0.04 0.03 0.07 -0.03 -0.00 -0.03 -0.04 0.04 0.07 0.22 -0.09 0.01 0.05 -0.03 -0.33 0.08 0.10 0.01 -0.31 0.09 0.18 0.10 0.08 -0.05 -0.00 -0.11 0.05 -0.24 0.15 -0.20 -0.02 -0.12 -0.01 0.03 -0.02 -0.35 -0.09 0.00 0.55 0.03 0.01 0.02 -0.01 0.01 0.00 0.00 -0.02 0.01 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.01 0.01 -0.01 -0.01 0.04 -0.01 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.01 -0.01 -0.00 -0.01 0.04 0.07 0.02 -0.10 -0.01 -0.12 0.07 -0.08 -0.11 0.15 -0.05 0.08 -0.14 0.09 0.06 -0.01 0.01 0.03 0.01 0.00 0.03 -0.01 -0.03 0.03 0.00 -0.01 -0.01 0.01 -0.01 -0.04 0.00 -0.05 -0.01 -0.04 -0.02 -0.02 0.00 0.00 -0.02 -0.00 0.01 0.04 -0.00 0.00 0.00 -0.01 0.00 0.00 0.00 0.01 -0.01 0.00 0.00 0.01 0.00 -0.08 0.03 0.00 0.00 0.00 0.15 0.25 -0.08 -0.13 -0.02 -0.07 0.06 -0.13 -0.09 0.24 -0.05 0.11 0.24 -0.01 0.19 -0.20 0.18 0.14 -0.22 0.15 0.10 0.09 0.14 -0.06 -0.02 -0.03 0.26 0.11 0.08 -0.01 -0.20 0.07 0.13 0.15 0.07 -0.08 -0.04 0.14 -0.09 0.14 -0.08 0.13 -0.02 0.13 -0.03 -0.00 -0.01 0.11 0.01 0.01 -0.23 0.01 -0.01 -0.00 0.01 -0.01 0.01 0.00 -0.07 0.03 0.01 -0.01 -0.01 -0.01 0.01 -0.00 -0.01 0.00 -0.00 -0.11 -0.08 0.06 0.09 -0.26 0.05 -0.01 -0.03 -0.04 0.02 0.05 0.07 -0.02 -0.00 -0.03 0.06 0.02 0.07 0.05 0.02 0.01 -0.06 0.01 -0.04 0.01 -0.03 -0.06 0.05 -0.03 0.03 -0.05 0.04 0.03 -0.01 0.02 0.02 -0.00 -0.00 0.01 0.01 -0.02 0.02 0.02 0.01 -0.03 0.03 -0.01 -0.01 -0.01 -0.03 -0.00 -0.02 0.01 -0.01 -0.03 -0.02 0.00 0.00 -0.00 0.01 -0.03 -0.00 -0.02 0.01 0.00 -0.02 0.00 -0.06 0.05 -0.02 -0.01 -0.04 0.01 0.55 -0.19 -0.01 -0.01 -0.02 0.14 0.07 -0.03 -0.08 0.02 0.04 -0.01 -0.07 -0.09 0.09 -0.03 0.01 0.09 0.01 0.07 -0.08 0.06 0.05 -0.09 0.07 0.08 0.08 0.04 -0.02 0.04 0.01 0.09 0.04 0.04 0.01 -0.12 0.04 0.08 0.08 0.03 -0.04 -0.01 0.05 -0.03 0.04 -0.01 0.02 -0.02 0.05 -0.03 -0.04 -0.00 0.01 0.01 -0.00 -0.07 -0.02 0.09 0.06 -0.02 0.02 -0.05 -0.01 0.50 -0.16 -0.10 0.07 0.07 0.09 -0.04 0.01 0.10 -0.02 0.01 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.01 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.09 0.16 -0.11 -0.00 0.00 0.05 -0.02 0.01 0.04 -0.08 0.02 -0.02 0.08 -0.03 -0.00 0.02 -0.00 0.01 -0.02 0.00 -0.00 -0.02 -0.06 0.04 0.00 -0.00 0.00 0.02 -0.01 0.01 0.02 -0.07 -0.00 -0.07 -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 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.01 0.00 -0.00 0.00 0.00 0.17 0.29 -0.18 -0.19 -0.09 0.32 -0.02 -0.24 0.30 -0.14 0.03 -0.10 -0.13 0.04 -0.05 0.11 -0.09 -0.06 0.13 -0.08 -0.02 -0.00 -0.03 0.02 0.02 -0.01 -0.01 0.21 0.08 -0.08 -0.28 0.08 0.11 0.11 0.09 -0.08 0.00 0.14 -0.10 0.24 -0.14 0.14 -0.08 0.21 -0.11 -0.02 0.00 -0.00 -0.02 -0.00 0.00 -0.01 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.01 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.11 0.05 -0.05 0.02 -0.02 0.00 -0.01 -0.02 -0.02 0.02 0.03 0.03 -0.09 0.01 -0.05 0.15 0.11 0.35 -0.05 0.03 -0.01 0.02 -0.01 -0.03 0.05 -0.00 0.03 -0.00 -0.01 0.02 0.01 0.01 -0.03 -0.03 -0.01 0.01 -0.02 -0.00 -0.01 -0.02 0.01 -0.00 -0.03 0.01 -0.01 0.01 -0.01 0.00 0.02 -0.01 -0.00 0.01 -0.01 0.01 0.00 0.01 0.00 0.00 -0.01 0.00 0.01 -0.01 -0.00 0.02 -0.05 -0.09 0.06 0.02 0.04 -0.16 -0.03 -0.20 -0.20 -0.07 0.06 0.02 -0.05 -0.09 -0.16 0.09 -0.02 0.09 0.00 -0.15 0.08 -0.04 0.19 0.05 -0.00 -0.02 0.01 0.04 0.06 0.01 -0.04 -0.07 -0.01 0.00 0.05 -0.05 0.02 -0.00 0.03 0.03 -0.01 0.05 0.00 -0.03 -0.01 0.01 -0.01 0.01 0.01 -0.01 -0.01 -0.00 0.00 0.00 -0.01 0.02 0.02 -0.02 0.02 0.02 -0.02 0.00 -0.04 -0.01 -0.01 -0.02 0.01 0.09 -0.37 0.06 -0.20 -0.19 -0.06 0.05 -0.18 0.13 0.13 0.29 -0.15 0.02 0.32 -0.10 -0.01 -0.02 -0.01 0.01 -0.00 -0.00 0.00 -0.01 -0.01 -0.02 0.06 0.02 0.04 0.01 -0.00 0.00 -0.03 -0.02 -0.06 -0.10 0.05 -0.01 0.05 -0.02 -0.07 0.09 -0.00 0.08 -0.02 -0.04 0.06 0.03 0.04 -0.06 -0.07 -0.00 0.03 -0.05 -0.01 -0.04 -0.05 0.02 -0.00 -0.04 -0.01 -0.02 0.03 -0.02 0.01 0.04 -0.01 -0.01 0.02 -0.03 0.01 0.00 0.02 0.00 -0.00 0.01 0.00 0.01 -0.02 -0.01 0.01 0.01 0.01 -0.01 -0.00 -0.00 0.03 0.01 0.04 0.02 0.02 -0.01 -0.01 0.01 0.01 -0.40 0.20 -0.04 0.24 0.06 -0.38 0.15 -0.14 0.44 0.13 -0.03 -0.11 0.02 0.14 0.19 -0.01 -0.14 -0.22 -0.00 0.02 0.20 -0.10 0.05 -0.01 0.06 0.03 -0.02 0.10 0.00 -0.06 -0.03 0.02 -0.02 0.00 0.03 -0.02 -0.02 -0.01 0.01 -0.01 -0.01 0.04 0.05 -0.04 0.06 0.03 -0.02 0.00 -0.12 -0.01 -0.02 0.05 0.03 0.03 0.01 0.03 0.05 0.03 0.02 -0.02 0.02 -0.01 -0.01 -0.04 0.02 -0.00 -0.04 0.01 0.00 -0.10 -0.04 0.04 -0.03 0.04 -0.00 0.02 0.02 0.03 -0.00 -0.04 -0.04 -0.01 0.05 0.09 0.05 0.01 0.07 0.00 -0.00 0.00 -0.00 0.02 -0.01 -0.02 -0.01 0.01 -0.01 -0.03 0.01 0.02 0.03 -0.01 0.01 0.00 0.01 0.00 -0.01 -0.01 0.01 -0.01 0.00 0.02 -0.02 0.01 -0.02 -0.01 -0.00 -0.00 0.01 0.00 -0.01 0.00 -0.00 0.02 0.00 -0.00 -0.01 0.04 0.00 -0.02 0.03 0.02 -0.05 -0.02 -0.07 0.04 -0.04 -0.02 -0.17 0.01 -0.13 0.21 -0.01 -0.05 0.10 -0.01 0.07 -0.05 0.02 -0.00 0.03 0.05 -0.04 -0.03 -0.05 0.04 0.03 -0.02 -0.08 0.01 0.06 0.07 -0.02 -0.05 -0.08 0.03 -0.00 0.08 0.01 -0.01 0.00 -0.08 -0.13 -0.01 -0.02 -0.01 0.00 0.01 -0.00 -0.01 -0.02 -0.01 0.01 -0.00 0.01 -0.01 0.00 -0.00 0.00 -0.00 0.01 -0.01 0.05 -0.03 0.01 0.00 0.04 -0.00 0.06 -0.04 -0.11 -0.33 0.08 -0.13 0.20 -0.01 -0.04 0.45 -0.33 -0.30 -0.24 0.12 -0.10 -0.28 0.02 -0.06 -0.01 -0.00 0.00 -0.00 0.00 -0.00 -0.02 -0.02 -0.04 0.08 0.04 0.06 0.01 0.00 0.01 -0.01 -0.00 -0.01 -0.00 0.02 -0.02 0.01 -0.03 0.05 0.13 0.05 -0.02 0.03 0.11 -0.04 -0.04 -0.09 0.01 -0.09 -0.08 -0.03 -0.07 -0.02 0.03 -0.05 0.02 -0.00 -0.10 -0.04 -0.02 -0.09 -0.03 -0.01 0.02 -0.03 -0.01 0.02 -0.01 0.02 0.12 0.07 0.01 0.00 0.05 0.00 0.02 -0.03 -0.01 0.02 -0.00 -0.01 0.00 -0.00 0.01 -0.02 0.00 -0.00 0.02 0.00 -0.01 0.01 0.00 0.02 0.18 -0.02 -0.02 -0.04 -0.03 0.16 0.17 0.24 -0.05 -0.02 0.07 0.37 -0.08 -0.17 -0.28 0.15 0.13 0.20 -0.17 0.08 -0.20 -0.08 0.04 -0.01 -0.14 -0.13 0.00 0.10 0.03 -0.04 -0.06 0.02 0.03 0.07 0.04 -0.05 0.02 -0.05 0.04 -0.00 -0.00 -0.00 0.02 -0.04 0.02 0.30 -0.16 0.01 -0.20 0.04 -0.01 0.05 0.07 0.07 -0.17 0.08 0.01 0.02 0.01 -0.02 0.08 -0.06 -0.06 -0.06 0.03 -0.02 -0.07 0.01 -0.01 0.03 0.01 -0.01 0.01 -0.01 0.00 -0.02 -0.01 -0.02 -0.00 0.02 0.02 0.01 0.01 0.03 -0.02 -0.01 -0.04 -0.01 0.00 0.00 0.01 -0.05 0.01 0.03 0.01 -0.01 0.02 0.03 -0.00 -0.02 -0.03 0.01 -0.01 0.03 -0.01 -0.01 0.02 0.01 -0.03 0.01 -0.00 -0.02 0.05 0.00 0.12 0.04 0.01 0.01 -0.01 -0.01 0.02 -0.00 0.01 -0.12 -0.01 -0.01 -0.00 -0.11 -0.00 0.02 -0.03 -0.02 0.07 -0.01 0.02 0.02 0.01 0.03 -0.04 -0.01 -0.05 -0.06 0.00 -0.00 0.04 0.02 0.07 0.05 -0.03 0.01 -0.03 -0.10 0.02 0.03 0.03 -0.04 -0.06 0.03 0.07 0.01 -0.07 -0.06 0.01 0.08 0.10 -0.02 -0.01 -0.12 -0.04 0.02 -0.00 0.30 0.42 0.03 0.03 0.01 -0.01 -0.01 0.00 0.01 0.03 0.01 -0.02 0.00 -0.03 0.02 -0.02 0.01 -0.01 0.02 -0.04 0.02 -0.30 0.22 -0.04 -0.05 -0.12 0.01 -0.02 0.01 0.05 -0.30 0.12 -0.03 -0.07 0.00 -0.00 0.29 -0.21 -0.20 -0.22 0.11 -0.06 -0.25 0.04 -0.03 -0.09 -0.03 0.04 -0.03 0.05 -0.01 0.01 0.02 0.03 0.02 -0.04 -0.02 -0.02 -0.00 -0.02 0.02 0.03 0.09 -0.01 0.01 -0.00 0.01 -0.04 0.02 0.05 0.02 -0.01 0.01 0.04 -0.01 -0.02 -0.04 0.01 -0.03 0.01 -0.02 -0.03 0.02 0.01 -0.04 0.02 -0.00 -0.01 0.01 0.01 0.10 0.02 0.01 0.02 -0.02 -0.01 0.02 -0.00 0.01 -0.08 0.01 -0.00 -0.02 -0.06 -0.00 0.02 -0.00 0.01 -0.05 -0.00 -0.04 -0.03 -0.01 -0.04 0.02 0.02 0.04 0.20 -0.03 -0.03 -0.04 -0.02 -0.08 0.06 -0.02 0.00 -0.00 -0.07 0.02 0.05 0.04 -0.02 -0.06 0.03 0.10 0.00 -0.07 -0.08 0.03 0.07 0.10 -0.05 0.01 -0.11 -0.07 0.03 -0.00 0.25 0.34 0.02 0.06 0.02 -0.03 -0.03 0.01 0.01 0.04 0.02 -0.03 0.01 -0.05 0.04 -0.03 0.02 -0.02 0.02 -0.05 0.03 -0.22 0.20 -0.03 -0.15 -0.09 -0.00 0.07 -0.03 -0.07 0.12 -0.04 0.04 0.24 -0.07 -0.08 -0.32 0.24 0.22 0.26 -0.14 0.07 0.30 -0.05 0.03 -0.01 -0.00 0.01 -0.01 0.01 -0.00 -0.01 -0.01 -0.02 0.01 0.02 0.02 0.01 -0.01 -0.01 -0.02 0.01 0.01 0.00 0.00 0.00 -0.03 0.00 0.02 -0.00 0.03 -0.01 0.03 0.02 -0.05 -0.00 -0.02 0.03 -0.00 -0.07 -0.01 0.01 0.02 0.00 0.18 -0.08 0.01 -0.04 -0.00 -0.01 -0.01 0.02 -0.00 -0.06 0.07 0.04 -0.09 -0.00 -0.05 0.01 0.04 0.00 0.00 -0.04 0.00 0.02 -0.02 -0.01 0.04 -0.01 -0.00 -0.01 0.00 0.00 0.01 -0.00 0.01 0.03 -0.01 -0.01 -0.01 0.00 -0.00 -0.41 0.18 -0.03 0.01 -0.09 -0.24 0.05 -0.01 0.23 0.07 -0.00 0.17 0.05 -0.09 -0.08 0.15 -0.03 0.02 -0.06 0.06 -0.02 0.32 -0.14 0.02 0.04 0.13 0.00 -0.22 -0.07 0.09 0.14 -0.04 -0.04 -0.18 -0.09 0.13 -0.04 0.20 -0.15 0.13 -0.08 0.06 -0.09 0.21 -0.11 -0.02 0.07 -0.00 -0.08 -0.05 -0.01 -0.02 0.05 0.03 -0.18 0.09 0.02 0.05 -0.03 -0.04 -0.04 0.03 0.02 0.01 -0.01 0.01 0.02 -0.00 0.01 0.03 0.01 -0.01 0.01 -0.02 0.00 0.03 0.02 0.03 0.03 -0.05 -0.04 -0.03 0.03 0.03 0.04 -0.03 -0.03 0.01 0.00 0.02 -0.01 0.00 0.04 0.01 0.03 0.00 0.02 0.03 -0.04 0.00 -0.00 -0.00 0.02 -0.05 -0.02 -0.06 0.00 -0.01 -0.01 -0.01 -0.01 0.03 -0.04 0.00 0.02 -0.00 0.00 0.01 0.00 0.00 0.00 0.01 0.00 -0.01 0.03 0.00 -0.01 0.01 -0.00 -0.03 0.04 0.02 -0.10 0.04 -0.00 0.02 -0.01 -0.01 -0.04 0.02 -0.01 -0.06 0.02 0.02 0.04 -0.02 0.00 -0.09 0.01 0.03 -0.07 -0.19 -0.14 -0.05 -0.26 0.05 0.23 -0.01 0.30 -0.05 -0.05 -0.16 0.14 -0.08 -0.09 -0.25 0.21 0.18 -0.02 -0.03 0.00 0.09 0.15 -0.01 0.00 -0.01 -0.01 0.00 0.00 -0.02 -0.03 -0.00 0.01 0.02 -0.03 0.01 -0.01 0.01 -0.03 -0.01 -0.01 -0.01 -0.06 0.11 -0.01 -0.19 -0.01 -0.01 0.09 -0.11 -0.07 0.49 -0.25 -0.05 -0.11 0.08 0.09 0.09 -0.05 -0.05 -0.01 0.00 -0.03 -0.03 0.00 -0.01 -0.01 -0.00 0.00 -0.01 0.01 -0.00 -0.01 -0.01 -0.02 -0.03 0.03 0.02 0.02 -0.02 -0.02 -0.02 0.02 0.02 -0.01 0.00 0.02 0.02 0.03 0.00 -0.01 -0.02 0.04 -0.00 0.00 -0.00 0.01 0.05 -0.05 0.06 -0.04 -0.00 -0.02 -0.01 -0.02 -0.03 0.00 0.00 -0.01 0.01 0.00 -0.02 0.00 0.00 0.01 -0.00 -0.01 0.01 0.01 0.00 -0.02 0.01 -0.00 0.03 -0.00 0.00 0.02 -0.02 -0.01 0.06 -0.02 0.00 -0.01 0.01 0.00 0.03 -0.01 0.00 0.03 -0.01 -0.01 -0.02 0.01 -0.00 0.14 -0.09 0.05 -0.20 -0.22 0.09 -0.13 -0.29 -0.18 0.35 -0.03 0.25 -0.20 0.05 -0.16 0.04 -0.14 -0.22 -0.23 0.21 0.32 -0.04 0.02 -0.01 -0.01 0.03 -0.03 0.01 -0.00 -0.01 0.00 0.00 -0.01 0.01 0.01 -0.01 0.01 -0.04 0.03 -0.02 0.02 -0.02 0.01 -0.04 0.01 -0.03 0.02 -0.00 0.18 0.01 0.01 -0.07 0.06 0.03 -0.30 0.15 0.03 0.06 -0.05 -0.05 -0.05 0.03 0.03 0.00 -0.00 0.02 0.02 -0.00 0.01 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.03 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 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 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 -0.05 -0.12 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 0.01 0.00 0.00 -0.00 0.00 0.00 -0.01 0.01 -0.00 0.00 -0.00 -0.00 0.11 0.27 -0.13 0.49 -0.17 -0.40 -0.36 0.49 0.25 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.01 -0.00 0.01 0.01 0.01 -0.00 -0.00 -0.00 0.00 0.00 0.06 0.14 0.03 0.00 0.01 0.00 0.00 0.02 -0.01 -0.01 -0.02 -0.01 -0.01 -0.02 -0.00 0.02 -0.01 0.01 -0.03 0.01 0.01 -0.03 -0.07 -0.13 -0.01 -0.01 -0.00 -0.00 -0.02 -0.00 0.03 0.02 0.07 -0.00 0.04 0.07 -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 0.01 -0.00 0.00 0.00 -0.00 -0.00 -0.01 0.00 0.00 -0.07 -0.11 0.15 -0.01 -0.15 -0.21 -0.08 -0.16 -0.15 -0.01 -0.02 -0.06 0.24 -0.01 0.23 -0.19 0.19 0.20 0.00 -0.02 -0.07 -0.18 -0.38 0.04 -0.02 -0.05 0.01 0.10 -0.10 -0.15 0.00 -0.01 -0.17 -0.30 0.01 0.09 0.20 -0.23 0.13 -0.00 -0.01 -0.18 -0.12 -0.02 -0.16 0.02 -0.02 0.00 -0.01 0.00 -0.00 -0.01 0.02 0.01 -0.07 0.03 0.01 0.01 -0.00 -0.01 -0.01 0.01 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -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 0.08 -0.05 0.01 -0.08 0.00 0.08 -0.07 0.05 -0.09 0.03 0.01 -0.08 -0.00 -0.01 0.08 0.01 0.01 -0.01 0.04 0.03 0.01 -0.09 0.04 0.01 0.02 0.01 0.01 0.00 -0.01 -0.00 0.03 -0.04 -0.03 0.05 0.01 0.01 -0.00 -0.00 0.00 0.01 -0.01 -0.00 -0.00 0.00 0.00 0.02 -0.01 -0.00 -0.01 0.00 -0.00 0.02 -0.01 0.00 0.01 -0.00 0.00 -0.02 0.01 0.00 -0.25 0.10 -0.02 0.17 0.06 -0.40 -0.04 -0.31 0.41 -0.04 -0.01 0.09 0.13 -0.10 -0.04 0.22 -0.09 -0.01 -0.02 0.04 -0.07 -0.16 0.11 -0.01 -0.11 -0.27 0.01 0.09 0.04 -0.02 -0.09 0.03 0.04 0.13 0.04 -0.07 -0.01 -0.08 0.06 -0.10 0.07 -0.04 0.06 -0.11 0.07 -0.06 0.07 -0.01 0.16 0.00 0.01 -0.04 0.02 0.01 -0.18 0.09 0.02 0.02 -0.01 -0.01 -0.02 0.01 0.01 -0.00 0.00 0.01 -0.00 0.01 0.01 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.01 -0.00 -0.02 0.01 0.00 -0.01 0.00 -0.00 0.00 0.00 0.00 0.02 -0.05 0.01 0.04 0.01 0.00 0.02 0.02 -0.01 0.00 -0.02 0.00 -0.02 0.16 -0.02 -0.11 -0.07 0.00 0.02 -0.01 0.00 0.02 0.06 0.01 0.01 -0.07 -0.00 -0.01 0.01 0.01 -0.01 0.00 -0.01 -0.07 -0.06 -0.00 0.06 0.06 0.00 0.01 -0.00 -0.01 0.01 0.01 0.02 0.00 0.01 0.02 -0.01 -0.00 -0.01 0.01 -0.01 -0.01 0.01 -0.01 -0.01 -0.12 0.05 -0.00 -0.21 -0.46 -0.10 0.14 0.33 0.08 -0.08 0.02 0.01 0.05 -0.07 -0.03 0.12 -0.03 -0.01 -0.13 0.10 0.05 0.05 -0.03 0.01 -0.08 -0.25 -0.01 -0.03 -0.01 0.01 0.04 -0.01 -0.01 -0.03 -0.02 0.02 -0.00 0.02 -0.02 0.03 -0.02 0.00 -0.01 0.02 -0.01 -0.05 -0.08 -0.01 0.57 0.11 0.05 0.04 -0.03 -0.02 0.11 -0.06 -0.02 0.02 -0.02 -0.04 0.01 -0.00 -0.00 0.01 -0.01 -0.00 0.01 -0.00 -0.00 -0.02 -0.01 0.01 -0.01 0.02 -0.00 -0.05 -0.02 -0.05 -0.00 0.04 0.05 -0.11 0.05 0.02 -0.04 0.01 -0.01 0.00 -0.00 0.00 -0.01 0.02 -0.00 -0.01 -0.00 -0.00 -0.01 -0.01 0.00 -0.00 0.01 0.00 0.00 -0.06 0.01 0.04 0.02 0.00 -0.00 0.01 -0.01 -0.05 0.01 -0.01 -0.02 0.01 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.01 -0.00 0.03 0.00 0.03 -0.03 0.00 0.06 -0.05 -0.03 0.09 0.03 0.14 0.03 0.04 0.12 -0.04 -0.02 -0.09 0.04 -0.04 -0.08 0.06 -0.04 -0.03 0.03 -0.02 0.01 0.07 0.16 0.02 -0.04 -0.12 -0.01 0.03 -0.01 0.01 -0.03 0.02 -0.00 -0.03 0.00 -0.00 0.04 -0.03 -0.02 -0.01 0.01 -0.01 -0.06 -0.09 -0.00 0.02 0.00 -0.01 -0.02 0.01 -0.01 -0.01 0.01 -0.00 0.02 -0.02 0.01 -0.00 -0.00 -0.01 -0.01 0.00 -0.01 -0.08 0.14 -0.00 0.21 -0.01 0.01 -0.10 0.12 0.09 0.65 -0.35 -0.15 0.16 -0.18 -0.27 0.04 -0.02 -0.01 0.04 -0.04 -0.02 0.05 -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 0.01 0.06 0.11 -0.00 -0.03 -0.09 0.01 -0.02 -0.08 0.05 0.02 0.03 -0.03 0.03 0.02 -0.01 0.02 0.01 0.01 0.02 0.01 -0.04 -0.11 0.01 0.00 -0.00 -0.00 0.01 -0.00 -0.00 0.01 0.06 -0.02 0.03 0.04 -0.03 0.00 -0.01 -0.00 -0.01 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.03 0.06 0.10 -0.16 0.05 0.39 0.09 -0.13 0.35 -0.18 0.04 -0.10 -0.24 0.00 -0.25 0.23 -0.19 -0.20 0.11 -0.09 -0.08 -0.09 -0.25 0.08 -0.01 -0.04 0.02 -0.16 -0.08 0.04 0.21 -0.05 -0.08 -0.01 -0.12 0.06 -0.09 -0.07 0.05 -0.16 0.12 -0.10 0.04 -0.15 0.05 0.03 -0.04 0.01 -0.08 -0.01 -0.01 -0.01 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 -0.01 -0.00 -0.01 -0.01 0.01 0.00 -0.01 0.00 -0.00 -0.01 0.00 0.00 0.03 0.04 -0.04 0.02 0.02 0.04 -0.01 0.03 0.03 -0.02 -0.02 -0.02 0.01 -0.03 -0.01 0.02 0.02 -0.00 -0.02 0.00 -0.00 -0.04 -0.07 0.13 0.01 0.00 0.00 0.00 -0.00 0.00 -0.01 0.03 -0.09 0.04 0.01 -0.08 0.01 -0.02 0.00 -0.02 0.01 -0.00 0.00 -0.00 -0.00 0.02 0.00 0.02 0.00 0.01 0.02 0.00 -0.01 -0.01 0.01 -0.01 -0.01 0.00 -0.00 -0.00 0.04 0.13 -0.07 0.00 -0.18 -0.22 -0.07 -0.02 -0.17 0.08 -0.03 0.02 0.19 0.02 0.20 -0.16 0.17 0.18 -0.05 0.04 0.01 -0.13 -0.23 0.21 0.03 0.07 -0.00 -0.22 0.01 0.16 0.21 -0.04 0.07 0.25 -0.13 -0.03 -0.25 0.09 -0.05 -0.18 0.13 0.04 0.14 -0.15 0.18 0.13 -0.19 0.01 -0.22 -0.01 -0.02 -0.01 0.02 0.00 0.03 -0.02 -0.02 0.03 -0.03 -0.05 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.01 0.00 -0.00 0.00 -0.01 0.00 0.01 0.00 0.01 0.03 -0.01 -0.00 0.01 -0.00 0.01 0.02 -0.01 -0.00 -0.02 0.03 -0.02 0.00 0.00 -0.01 0.03 0.02 0.02 -0.02 0.01 0.01 -0.00 -0.02 -0.02 -0.03 -0.07 0.01 -0.01 0.01 -0.00 -0.00 -0.04 0.04 -0.04 -0.03 -0.01 -0.01 -0.02 -0.00 -0.00 0.02 -0.03 0.01 0.00 -0.03 -0.03 0.07 -0.00 0.07 -0.02 0.01 0.01 -0.00 0.01 -0.05 -0.00 -0.04 -0.00 -0.02 -0.04 -0.01 0.02 0.03 -0.01 0.01 0.02 -0.00 0.00 0.01 0.11 0.02 -0.03 0.14 0.25 0.06 -0.02 -0.07 -0.09 -0.01 0.01 0.00 0.04 0.01 0.07 -0.07 0.09 0.09 -0.02 -0.00 -0.02 -0.01 -0.11 0.08 -0.11 -0.25 -0.01 -0.09 -0.01 0.06 0.09 -0.02 0.01 0.06 -0.05 0.01 -0.09 0.05 -0.03 -0.06 0.04 0.02 0.04 -0.03 0.05 -0.34 0.49 -0.04 0.54 0.03 0.04 0.02 -0.01 0.01 -0.03 0.03 0.03 -0.06 0.06 0.09 0.01 -0.00 -0.00 -0.01 0.01 0.00 -0.01 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.08 -0.01 0.01 -0.03 0.09 0.00 -0.02 -0.05 -0.04 -0.02 -0.05 -0.02 0.03 0.05 0.03 0.05 -0.09 0.00 -0.04 -0.09 0.01 -0.04 -0.00 -0.01 -0.02 -0.02 -0.00 -0.05 0.01 -0.01 0.00 -0.01 -0.01 0.02 0.01 0.01 -0.01 0.04 -0.00 0.02 0.02 0.00 0.00 -0.00 0.00 -0.01 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.15 0.15 -0.04 -0.12 -0.04 -0.01 0.20 0.59 0.20 0.21 -0.06 0.07 -0.06 0.09 0.02 -0.08 0.00 -0.00 0.24 -0.14 -0.02 -0.14 -0.01 0.01 0.13 0.46 0.02 0.03 0.01 -0.01 0.01 -0.01 0.02 0.05 -0.00 -0.02 0.01 -0.06 0.04 -0.04 0.03 -0.04 0.01 -0.06 0.01 -0.04 0.08 -0.01 0.16 0.04 0.01 -0.01 0.01 0.01 0.01 -0.00 0.00 -0.01 0.01 0.01 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.02 0.00 0.01 -0.01 0.01 0.01 0.01 -0.01 -0.00 0.00 -0.01 0.00 0.01 -0.03 0.04 -0.00 0.02 -0.03 -0.01 -0.05 0.01 0.02 0.05 -0.01 -0.05 0.04 -0.01 0.02 0.06 0.01 0.01 0.00 0.00 -0.03 0.02 -0.00 0.03 0.00 0.00 -0.00 0.00 0.00 -0.01 0.00 -0.00 0.00 -0.01 0.00 -0.00 -0.03 -0.00 0.03 -0.02 -0.01 -0.02 -0.00 -0.02 0.00 -0.01 -0.02 -0.01 0.01 0.02 -0.00 0.00 0.01 0.01 -0.00 -0.00 -0.01 -0.03 0.02 -0.08 -0.24 -0.11 0.00 -0.05 0.06 0.41 -0.09 0.19 -0.38 0.10 -0.26 -0.34 0.18 0.13 0.35 -0.25 -0.16 0.03 0.01 -0.00 -0.08 -0.26 -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 0.00 -0.00 0.00 0.00 -0.00 -0.01 0.00 -0.03 -0.03 -0.00 -0.00 0.01 0.01 0.03 -0.01 0.02 -0.03 0.03 0.04 0.01 -0.00 -0.00 0.01 -0.00 -0.00 0.01 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.01 0.01 0.06 -0.03 0.02 -0.03 0.03 0.05 0.02 -0.02 -0.02 0.02 0.03 -0.00 -0.01 -0.01 0.01 -0.05 -0.04 0.02 -0.01 0.02 -0.03 -0.01 0.01 0.01 -0.01 -0.02 0.00 0.12 -0.03 0.00 -0.01 -0.02 -0.01 -0.17 0.22 -0.01 -0.02 0.04 -0.00 0.00 0.00 -0.00 0.01 0.01 0.01 -0.03 -0.02 -0.00 -0.03 -0.08 -0.00 0.10 -0.07 -0.02 -0.06 -0.01 -0.08 0.02 -0.03 -0.06 -0.06 0.05 0.06 -0.00 0.01 0.02 0.02 -0.02 -0.01 0.07 0.09 -0.04 0.07 0.10 -0.02 -0.08 -0.05 -0.10 0.02 0.01 0.06 0.14 -0.03 0.09 0.15 -0.14 -0.13 -0.10 0.09 0.08 -0.06 -0.03 0.00 0.02 0.13 0.00 -0.01 -0.01 -0.01 0.00 -0.00 -0.02 -0.01 -0.01 0.00 0.01 -0.03 0.02 -0.02 0.01 -0.03 -0.00 -0.03 -0.01 0.33 -0.54 0.04 0.36 -0.05 0.02 0.18 -0.09 -0.04 0.12 -0.02 0.06 -0.10 0.13 0.15 0.01 -0.00 0.00 0.03 -0.02 0.00 0.04 -0.01 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.02 0.01 0.02 0.02 -0.04 -0.02 0.02 -0.02 -0.03 -0.01 0.01 0.01 -0.07 0.05 -0.01 -0.04 -0.03 0.06 0.00 0.00 -0.05 0.01 -0.01 0.01 0.03 0.00 -0.01 -0.00 -0.02 -0.00 -0.01 -0.06 0.01 0.01 -0.03 -0.01 0.02 0.07 -0.01 -0.01 0.00 -0.00 0.00 0.02 0.01 -0.00 -0.00 -0.00 -0.01 -0.02 0.00 -0.02 0.01 -0.00 -0.09 0.06 0.02 0.04 0.01 0.05 -0.01 0.02 0.03 0.03 -0.03 -0.04 -0.00 0.00 -0.01 -0.02 0.01 0.01 0.52 -0.08 -0.02 0.30 0.26 -0.24 0.07 -0.03 0.27 0.07 -0.01 0.05 -0.18 0.02 -0.15 -0.13 0.10 0.09 -0.01 0.03 0.08 0.09 -0.07 -0.00 0.05 0.15 0.01 -0.03 -0.04 -0.01 0.02 -0.00 -0.05 -0.05 -0.02 0.03 -0.01 0.01 -0.01 -0.02 0.00 0.00 -0.01 0.02 -0.02 0.07 -0.13 -0.00 0.17 0.03 0.01 0.27 -0.23 -0.12 -0.06 0.01 -0.04 0.06 -0.05 -0.10 -0.01 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 -0.02 -0.00 -0.01 -0.04 0.04 0.02 -0.02 0.02 0.03 0.01 -0.01 -0.01 -0.09 0.00 0.00 0.01 0.07 0.04 0.01 0.03 -0.08 0.03 -0.03 0.02 0.02 -0.02 0.00 0.08 0.01 0.00 -0.04 -0.01 0.00 0.02 0.02 0.02 0.01 -0.04 0.01 -0.03 -0.04 -0.00 -0.00 -0.00 -0.00 -0.01 -0.02 -0.01 -0.02 0.02 -0.00 0.03 0.02 0.00 0.10 -0.07 -0.02 -0.04 -0.01 -0.06 0.02 -0.03 -0.04 -0.03 0.04 0.04 0.01 -0.00 0.01 0.02 -0.01 -0.01 0.39 -0.38 0.12 -0.02 -0.13 -0.22 0.07 -0.17 0.37 -0.22 0.01 -0.24 -0.02 0.02 -0.01 -0.07 0.08 0.10 -0.04 0.04 0.03 0.09 0.01 0.02 0.07 0.19 0.01 -0.01 0.01 0.01 -0.01 0.01 0.01 0.01 0.01 -0.01 -0.02 0.05 -0.03 0.02 -0.01 0.05 0.01 0.05 0.01 0.06 -0.08 0.01 -0.03 0.02 -0.00 -0.29 0.23 0.11 0.06 -0.01 0.04 -0.07 0.06 0.12 0.01 -0.00 0.00 0.01 -0.01 0.00 0.02 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.01 -0.01 -0.01 -0.04 0.04 0.01 -0.01 0.01 0.01 0.00 -0.00 -0.00 0.01 0.06 -0.02 -0.03 -0.06 0.08 -0.05 -0.10 0.04 0.03 0.01 0.00 0.01 0.02 -0.01 -0.04 0.04 -0.01 0.04 0.00 0.00 -0.02 -0.05 -0.04 0.06 -0.04 0.02 0.02 0.03 0.00 0.00 0.02 0.01 0.01 0.02 0.01 0.04 -0.02 0.00 -0.02 0.01 -0.00 0.05 -0.04 -0.01 -0.02 -0.00 -0.03 0.01 -0.01 -0.02 -0.01 0.02 0.02 0.00 -0.00 0.00 0.01 -0.00 -0.00 0.30 0.32 -0.18 0.24 0.09 -0.31 0.03 0.39 -0.14 -0.02 0.01 0.02 -0.14 -0.03 -0.18 0.08 -0.12 -0.14 -0.13 0.12 0.17 -0.00 -0.03 -0.05 -0.04 -0.08 -0.00 -0.01 -0.05 -0.03 0.05 -0.02 -0.06 -0.05 -0.02 0.03 0.02 -0.05 0.04 -0.03 0.02 -0.06 -0.02 -0.04 -0.03 -0.12 0.20 -0.01 -0.14 0.00 -0.01 -0.25 0.19 0.09 0.02 0.00 0.02 -0.03 0.01 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 -0.00 0.00 -0.00 -0.00 0.03 -0.01 -0.00 0.01 -0.01 -0.01 0.00 0.00 0.00 -0.07 0.03 -0.01 0.06 0.04 0.04 0.02 -0.07 -0.02 -0.05 -0.02 -0.08 -0.06 0.07 0.07 -0.03 0.00 -0.01 0.01 0.04 0.00 0.01 0.01 0.01 -0.03 -0.02 -0.01 0.01 0.01 0.00 -0.00 0.00 0.00 -0.01 -0.01 -0.01 0.01 0.00 0.00 0.01 -0.01 0.00 -0.02 0.02 0.01 0.00 0.00 0.01 -0.01 0.01 0.01 0.01 -0.01 -0.01 -0.00 0.00 0.00 -0.00 0.00 0.00 0.38 -0.24 0.06 -0.07 -0.25 -0.12 0.07 0.09 -0.00 0.15 -0.04 0.09 0.34 -0.02 0.28 0.33 -0.29 -0.28 0.21 -0.16 -0.14 0.05 -0.06 0.03 -0.05 -0.13 0.00 0.00 0.00 0.00 0.01 -0.00 -0.01 0.00 0.00 -0.00 -0.01 0.01 -0.02 0.03 -0.02 0.04 0.01 0.01 0.02 -0.07 0.11 -0.01 -0.09 -0.02 -0.01 0.06 -0.04 -0.01 -0.00 -0.00 -0.01 0.02 -0.02 -0.04 0.00 -0.00 -0.00 -0.01 0.01 -0.00 -0.01 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.01 -0.00 -0.00 -0.05 0.02 0.00 -0.01 0.01 0.02 -0.01 -0.00 -0.01 -0.02 -0.00 -0.00 -0.03 -0.10 -0.01 0.06 0.07 0.02 -0.06 0.02 -0.05 -0.05 0.03 0.04 0.05 0.04 0.01 -0.06 -0.05 -0.00 -0.01 -0.02 -0.01 0.09 0.01 0.02 -0.02 -0.06 -0.00 0.01 0.02 0.02 0.01 -0.00 -0.00 -0.02 -0.01 -0.00 0.01 0.05 0.00 0.03 -0.03 -0.01 -0.00 -0.01 -0.02 0.01 -0.01 -0.01 -0.01 0.01 0.01 0.00 -0.00 -0.00 0.00 -0.01 -0.01 0.03 0.15 -0.08 0.23 0.37 0.16 -0.05 -0.23 -0.15 0.34 -0.03 0.31 0.14 -0.04 0.11 0.11 -0.06 -0.06 0.27 -0.23 -0.23 0.19 0.02 -0.05 0.09 0.20 0.01 -0.01 -0.04 -0.03 0.02 -0.00 -0.05 -0.05 -0.01 0.03 -0.02 0.01 -0.00 -0.03 0.01 -0.01 -0.00 0.00 -0.01 0.07 -0.13 0.01 0.08 0.06 0.01 -0.16 0.11 0.04 -0.01 0.01 0.01 -0.04 0.02 0.06 -0.01 0.01 0.01 0.01 -0.01 0.01 0.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.01 0.01 0.00 -0.00 0.01 0.02 -0.01 -0.00 -0.01 -0.03 -0.04 0.03 0.06 -0.01 -0.04 -0.05 -0.00 -0.07 -0.09 0.02 -0.03 0.08 -0.04 -0.01 -0.03 0.01 -0.00 0.02 0.00 0.00 -0.02 -0.05 -0.01 0.01 0.01 0.00 0.02 0.04 0.00 0.01 0.02 0.02 0.01 0.02 0.01 0.02 -0.03 0.00 -0.02 -0.01 -0.00 0.01 -0.00 0.00 0.01 -0.01 -0.01 0.01 -0.00 0.00 -0.01 0.00 0.00 0.00 -0.00 -0.01 0.00 -0.01 -0.01 0.14 0.13 -0.07 -0.09 -0.01 0.31 0.08 0.07 0.40 0.22 -0.01 0.20 0.29 -0.02 0.30 -0.18 0.15 0.19 -0.18 0.19 0.18 0.13 0.25 -0.17 -0.05 -0.13 0.00 -0.01 -0.06 -0.04 0.05 -0.01 -0.06 -0.04 -0.02 0.04 0.00 -0.05 0.04 -0.02 0.02 -0.06 -0.03 -0.06 -0.04 -0.06 0.08 -0.00 -0.07 -0.01 -0.00 -0.04 0.03 0.01 -0.01 0.01 0.00 -0.03 0.03 0.04 -0.02 0.01 0.01 0.02 -0.01 0.01 0.03 0.00 0.01 0.01 0.01 0.01 0.01 -0.00 0.02 0.01 -0.00 0.00 -0.01 -0.00 -0.01 0.02 0.10 0.22 -0.12 -0.00 -0.11 0.01 0.02 -0.00 -0.01 -0.00 0.00 0.00 -0.02 0.00 0.01 -0.00 0.00 -0.01 0.01 -0.00 -0.01 -0.01 -0.00 -0.01 -0.00 0.00 0.02 0.03 0.00 0.02 -0.02 -0.00 0.00 0.01 0.00 -0.00 -0.01 -0.01 -0.01 -0.01 -0.01 0.01 -0.01 0.00 -0.00 0.01 -0.00 -0.08 0.05 0.02 0.10 -0.07 -0.06 0.11 -0.02 0.06 -0.05 0.00 -0.03 -0.01 -0.05 -0.09 -0.01 -0.05 -0.11 -0.06 -0.13 0.08 0.02 0.01 -0.03 0.01 0.05 -0.02 -0.02 0.00 -0.00 -0.04 0.01 -0.04 0.04 -0.02 -0.03 0.00 -0.00 0.02 -0.09 -0.17 0.11 -0.01 -0.03 -0.00 0.01 0.04 0.03 -0.03 0.01 0.04 0.02 0.02 -0.02 0.00 0.02 -0.02 0.02 -0.02 0.04 0.02 0.03 0.03 -0.06 0.09 -0.01 -0.05 0.01 -0.00 0.13 -0.11 -0.06 -0.23 0.09 -0.01 -0.25 0.42 0.26 -0.22 0.15 0.12 0.24 -0.17 0.19 0.33 0.06 0.08 -0.00 0.00 0.00 0.00 -0.00 0.00 0.01 0.00 0.00 0.02 -0.01 -0.00 0.01 0.01 0.02 -0.01 -0.00 -0.01 -0.02 -0.06 -0.02 0.01 0.07 0.03 0.03 0.04 0.03 0.03 -0.02 0.02 -0.03 -0.00 0.01 0.04 -0.02 0.00 -0.02 0.03 -0.00 -0.04 -0.10 0.00 -0.04 -0.02 -0.01 -0.01 -0.03 -0.00 0.01 0.04 0.02 0.02 0.03 0.03 -0.03 0.03 -0.00 0.03 -0.01 0.00 -0.03 0.02 0.00 0.02 -0.01 -0.00 0.01 0.00 0.01 -0.00 -0.00 -0.01 -0.00 -0.01 -0.01 -0.00 -0.00 -0.01 0.18 0.38 -0.24 -0.09 -0.18 -0.15 -0.05 -0.12 -0.14 -0.16 0.00 -0.23 -0.04 -0.02 -0.04 -0.01 -0.04 -0.02 0.08 -0.08 -0.16 0.22 0.49 -0.31 0.01 0.00 -0.00 -0.01 -0.09 -0.08 0.09 -0.02 -0.10 -0.04 -0.04 0.06 -0.01 -0.06 0.07 -0.06 0.04 -0.11 -0.06 -0.08 -0.08 0.04 -0.06 0.00 -0.02 -0.02 -0.00 0.10 -0.07 -0.03 -0.03 0.01 -0.01 -0.01 0.07 0.00 -0.03 0.02 0.01 0.03 -0.02 0.02 0.04 0.01 0.01 -0.02 0.00 -0.00 0.02 -0.01 0.02 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.01 -0.02 -0.05 -0.02 0.02 0.03 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 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 0.02 0.02 0.00 -0.02 0.01 -0.00 0.01 -0.02 -0.09 0.01 0.00 0.01 0.02 -0.00 -0.00 0.00 0.00 0.01 0.01 0.00 0.00 0.00 0.01 -0.00 0.01 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.01 0.02 -0.02 0.01 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.01 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.01 0.01 0.01 0.05 -0.03 0.00 0.21 0.93 -0.24 0.04 -0.03 -0.02 -0.03 0.03 -0.04 -0.06 -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 0.03 -0.01 0.00 -0.00 0.02 -0.00 -0.01 -0.01 0.00 0.01 -0.00 0.01 0.00 -0.00 -0.01 -0.00 -0.01 -0.00 0.01 0.00 0.00 -0.13 0.06 -0.01 -0.01 -0.00 -0.00 0.00 0.01 -0.00 0.02 0.01 0.05 0.01 -0.03 -0.05 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 -0.06 0.01 0.00 -0.04 -0.03 0.00 -0.01 0.03 -0.01 -0.02 0.01 -0.05 -0.02 -0.03 -0.03 0.01 0.03 0.02 -0.02 0.01 0.04 0.82 -0.37 0.06 -0.01 -0.01 -0.00 0.13 -0.04 -0.13 0.05 -0.03 -0.16 -0.05 0.07 0.02 -0.08 -0.01 -0.03 0.04 -0.01 0.17 0.11 -0.06 0.14 -0.00 0.01 -0.00 -0.00 -0.01 -0.00 0.01 -0.01 -0.00 -0.00 0.00 -0.00 0.00 -0.03 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.03 -0.00 0.01 0.02 -0.01 -0.00 -0.01 0.01 -0.00 -0.00 -0.02 -0.04 -0.11 -0.10 0.08 0.08 0.00 -0.00 -0.00 0.00 0.01 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.01 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.01 0.01 0.00 0.01 0.02 0.05 0.08 -0.06 -0.04 0.03 -0.01 0.01 0.06 -0.03 -0.13 0.00 0.02 0.04 -0.00 0.00 -0.00 -0.01 -0.02 -0.01 -0.00 -0.01 -0.00 -0.01 0.00 -0.01 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.02 -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 0.03 -0.01 -0.01 0.14 -0.06 0.01 -0.57 0.05 0.72 0.09 -0.07 -0.06 -0.05 0.06 -0.10 -0.10 -0.06 -0.04 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.04 -0.02 0.00 0.01 -0.00 -0.00 -0.01 0.00 0.00 -0.00 -0.00 0.00 -0.03 -0.11 -0.01 -0.06 -0.11 -0.01 -0.03 0.02 -0.02 0.04 -0.01 -0.01 0.18 0.10 0.02 -0.04 0.23 -0.00 0.01 0.02 -0.01 -0.10 -0.09 -0.02 -0.03 -0.12 -0.00 -0.01 -0.00 0.00 -0.00 -0.01 0.00 -0.17 0.13 -0.01 0.19 -0.05 0.02 -0.02 0.02 0.01 0.00 0.00 0.01 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 -0.01 0.01 0.21 0.30 0.10 0.08 0.39 0.11 0.12 0.00 0.15 0.02 -0.02 0.00 -0.04 -0.00 0.00 -0.12 0.12 0.15 -0.02 -0.07 0.03 -0.02 -0.11 -0.00 0.02 0.02 -0.01 0.01 -0.01 0.00 0.01 0.02 -0.01 0.01 0.01 -0.01 -0.01 0.00 0.01 0.01 0.03 0.00 0.20 -0.38 0.01 -0.32 -0.12 -0.03 0.10 -0.05 -0.03 -0.00 -0.00 -0.01 -0.03 -0.01 0.03 -0.00 -0.00 -0.00 0.01 -0.00 0.00 0.01 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.01 0.00 0.00 -0.00 -0.01 -0.00 0.00 0.01 0.00 0.00 -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 -0.09 0.01 0.04 -0.06 0.06 -0.04 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.01 0.01 -0.01 0.03 0.03 -0.01 -0.01 -0.04 0.01 -0.01 0.00 0.01 0.00 0.01 0.01 -0.01 -0.01 -0.00 -0.00 0.01 -0.01 -0.12 0.04 -0.00 0.00 0.00 -0.00 0.26 0.07 -0.29 0.32 -0.19 -0.15 0.44 0.03 -0.03 0.26 -0.32 0.07 0.31 -0.10 0.18 0.09 -0.21 0.30 0.01 -0.01 0.00 0.01 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.04 -0.09 0.07 0.02 0.03 -0.00 0.01 0.03 -0.00 -0.00 -0.01 -0.00 -0.00 -0.01 -0.00 0.01 -0.01 -0.00 -0.02 0.01 -0.00 0.03 0.07 -0.06 0.00 0.01 -0.00 0.01 0.01 0.00 -0.04 -0.02 0.02 0.02 -0.05 0.03 -0.01 -0.00 -0.00 0.01 -0.01 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.25 0.52 -0.24 -0.06 -0.07 0.03 -0.01 -0.06 0.04 -0.02 -0.00 -0.02 0.02 0.02 0.03 0.00 0.03 0.03 0.01 -0.01 -0.01 -0.20 -0.45 0.21 -0.02 -0.06 -0.00 0.12 0.06 -0.08 0.08 -0.09 -0.13 0.19 0.13 -0.08 -0.04 0.25 -0.10 -0.12 -0.00 -0.16 -0.03 0.14 -0.12 0.00 -0.01 0.00 -0.03 -0.01 -0.00 0.02 -0.02 -0.01 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.01 -0.00 -0.00 -0.01 -0.00 -0.00 -0.00 0.00 -0.00 0.02 0.01 0.02 -0.01 0.00 -0.00 0.07 -0.06 -0.07 -0.14 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 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 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 -0.02 -0.06 -0.14 0.22 -0.04 0.10 -0.08 0.07 0.09 -0.05 0.03 0.02 -0.09 0.06 0.05 -0.00 -0.01 0.00 0.00 0.01 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.01 -0.00 -0.00 -0.01 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.01 0.01 0.00 -0.01 -0.00 -0.00 0.02 -0.03 -0.01 0.24 -0.07 0.07 0.28 -0.27 -0.45 0.24 -0.24 -0.29 0.31 -0.03 -0.10 0.23 -0.24 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.03 0.05 -0.03 -0.01 -0.02 -0.00 -0.01 -0.02 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.01 0.00 0.00 0.00 -0.01 0.00 -0.01 -0.02 0.02 0.00 0.00 0.00 0.00 0.00 0.00 -0.07 0.01 0.04 0.06 -0.05 0.05 0.01 -0.00 0.00 -0.01 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.14 -0.29 0.15 0.02 0.02 -0.01 0.00 0.02 -0.01 0.01 0.00 0.02 -0.01 0.00 -0.02 0.01 -0.01 -0.01 -0.01 0.01 0.02 0.08 0.17 -0.08 0.00 0.01 0.00 0.23 0.03 -0.28 0.27 -0.16 -0.15 0.37 0.02 -0.01 -0.24 0.29 -0.05 -0.29 0.09 -0.19 -0.11 0.18 -0.31 -0.01 0.01 -0.00 0.01 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.02 -0.01 -0.02 0.03 -0.01 0.00 0.16 -0.04 0.05 0.02 -0.01 -0.01 -0.00 -0.00 0.00 0.01 -0.00 0.00 -0.01 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.01 0.03 -0.00 0.03 -0.00 0.00 0.00 0.00 -0.00 -0.02 -0.01 0.00 -0.01 -0.02 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.02 -0.00 -0.02 0.00 -0.00 0.04 -0.02 -0.00 -0.05 0.08 0.13 -0.08 0.01 -0.04 -0.07 -0.02 -0.11 0.02 -0.01 -0.01 -0.14 0.06 0.01 0.01 0.02 -0.01 -0.01 -0.03 0.00 -0.02 -0.04 0.00 0.01 0.00 -0.00 0.01 -0.01 0.00 -0.01 -0.00 0.00 -0.01 0.01 -0.01 -0.01 -0.02 0.01 0.04 0.09 0.00 0.00 -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 -0.01 -0.00 0.00 -0.00 0.03 -0.02 0.01 0.10 0.01 0.01 -0.15 0.14 0.05 0.02 -0.08 -0.14 -0.10 0.10 0.15 0.22 -0.25 -0.35 0.44 -0.14 0.20 0.47 -0.07 0.16 0.00 0.00 0.00 0.00 0.00 0.00 0.01 -0.01 -0.01 0.07 -0.03 -0.01 0.04 -0.02 -0.01 -0.02 0.01 -0.00 -0.01 -0.01 0.02 0.03 -0.03 0.00 -0.04 0.01 -0.00 -0.01 0.01 -0.00 0.01 -0.01 0.00 -0.08 0.14 -0.01 0.17 0.00 0.01 0.00 0.01 -0.01 -0.06 -0.14 -0.00 -0.05 -0.13 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.03 0.07 0.00 -0.07 0.03 -0.01 -0.04 0.03 0.02 -0.04 0.00 -0.03 0.04 0.02 0.07 0.00 -0.01 -0.01 -0.01 -0.01 -0.02 0.03 -0.02 -0.01 0.03 0.07 -0.02 -0.05 -0.14 0.02 -0.08 -0.16 0.01 0.07 0.00 -0.02 0.03 -0.06 -0.00 -0.08 -0.03 -0.01 -0.04 0.06 -0.04 -0.03 -0.06 0.03 0.24 0.53 0.02 -0.00 -0.01 -0.01 -0.01 -0.01 -0.05 0.04 0.03 -0.01 -0.00 0.04 -0.02 0.01 -0.01 -0.04 -0.01 -0.01 -0.01 0.07 0.05 0.01 0.39 0.09 0.03 -0.17 0.17 0.06 -0.02 0.00 -0.01 0.01 -0.03 -0.05 -0.16 0.15 0.19 -0.22 0.05 0.03 -0.19 0.13 -0.01 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.18 -0.08 -0.01 -0.04 0.02 0.01 0.00 0.00 -0.00 -0.01 0.01 -0.00 0.01 -0.00 0.00 0.00 -0.00 -0.00 -0.01 0.00 -0.00 0.02 -0.05 0.00 -0.06 -0.00 -0.00 -0.00 -0.00 0.00 0.02 0.05 0.01 0.02 0.05 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.02 -0.01 -0.00 0.01 -0.02 0.00 0.05 -0.03 -0.01 -0.10 0.05 0.01 0.06 0.01 0.07 -0.08 0.00 -0.06 -0.01 -0.01 -0.03 0.02 -0.03 -0.04 -0.01 -0.02 0.00 0.01 0.04 -0.01 0.03 0.05 -0.00 -0.03 -0.00 0.01 -0.01 0.03 0.00 0.03 0.01 0.01 0.02 -0.02 0.02 0.01 0.02 -0.01 -0.08 -0.18 -0.01 0.00 0.01 0.00 0.01 0.00 0.02 -0.01 -0.01 0.01 0.00 -0.01 0.01 -0.00 0.00 0.01 0.00 0.01 0.00 0.02 -0.07 0.00 -0.07 -0.04 -0.01 -0.08 0.06 0.02 0.07 -0.08 -0.10 0.00 -0.02 -0.05 -0.29 0.25 0.28 -0.44 0.04 0.31 -0.27 0.45 0.11 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.01 -0.01 0.01 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.02 -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 -0.00 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 0.25 0.60 -0.28 -0.43 0.14 -0.21 0.46 -0.05 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 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.02 0.01 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.04 -0.01 -0.03 -0.03 0.01 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.01 -0.00 0.01 -0.00 0.01 -0.01 -0.03 -0.00 0.03 -0.01 0.04 0.01 -0.04 -0.03 -0.02 -0.02 0.03 -0.04 0.02 -0.01 0.00 -0.00 -0.00 -0.00 -0.00 -0.29 -0.30 -0.17 0.13 0.19 0.15 -0.42 0.20 0.42 0.17 -0.16 -0.18 0.02 -0.22 0.18 0.21 0.31 -0.00 0.00 -0.00 -0.01 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.01 0.00 0.01 -0.00 0.00 -0.01 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.01 0.00 -0.01 -0.00 -0.01 0.00 -0.00 0.01 -0.00 -0.02 0.01 -0.00 0.01 -0.00 0.00 0.01 -0.00 0.00 -0.02 -0.00 -0.03 -0.01 0.01 0.03 -0.00 0.01 -0.00 -0.01 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.01 -0.00 0.00 0.01 0.01 -0.01 -0.00 -0.01 0.01 0.04 0.00 -0.05 0.01 -0.06 -0.02 0.07 0.05 0.03 0.02 -0.04 0.08 0.08 -0.03 0.00 0.01 -0.00 0.00 0.24 0.31 -0.00 0.26 -0.05 0.41 -0.23 -0.18 0.09 -0.00 0.28 -0.11 0.25 -0.17 -0.37 -0.06 -0.38 0.02 0.02 -0.02 0.00 0.03 -0.00 0.00 -0.01 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.01 0.00 -0.01 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.01 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.01 0.00 -0.01 -0.03 0.02 0.02 -0.04 -0.00 -0.04 0.01 0.01 0.00 0.01 -0.01 -0.00 0.00 -0.00 0.00 -0.02 0.00 -0.00 -0.01 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.01 0.00 0.01 0.01 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.01 -0.01 -0.01 0.01 0.26 0.03 -0.29 0.07 -0.39 -0.12 0.42 0.30 0.21 0.16 -0.28 0.46 -0.06 0.04 -0.01 -0.01 0.02 -0.00 -0.05 -0.08 -0.03 -0.06 0.02 -0.06 0.07 -0.00 -0.00 0.06 -0.03 0.00 -0.04 0.02 0.02 0.02 0.06 0.04 -0.04 0.04 -0.00 -0.05 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 0.01 0.00 -0.00 0.01 0.01 0.01 0.02 0.00 -0.01 -0.01 0.03 -0.01 0.00 0.07 -0.04 -0.04 0.00 0.00 -0.00 0.00 0.01 0.00 0.01 -0.01 -0.00 0.00 -0.00 -0.00 -0.01 0.00 -0.01 -0.00 -0.04 0.00 -0.04 0.02 -0.00 0.00 -0.00 -0.00 0.04 0.01 0.01 0.04 0.02 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.01 0.04 -0.00 -0.05 -0.03 -0.00 0.01 -0.02 -0.01 -0.09 -0.00 -0.09 -0.07 0.13 0.22 0.03 -0.02 -0.01 0.02 -0.06 -0.11 -0.02 0.03 0.05 -0.00 -0.00 0.00 -0.00 0.00 -0.01 0.02 0.05 0.00 -0.02 -0.00 0.01 -0.00 0.02 0.01 0.06 0.04 0.03 0.02 -0.04 0.07 -0.00 0.01 -0.01 -0.01 -0.11 -0.00 -0.01 -0.01 -0.00 -0.01 0.00 -0.01 0.00 -0.00 0.00 -0.00 -0.03 0.01 -0.03 0.02 0.04 0.01 0.04 -0.01 0.12 -0.14 0.01 0.13 -0.02 0.01 -0.15 0.11 0.04 -0.09 0.04 -0.01 -0.17 0.12 0.14 -0.09 0.09 0.10 0.19 0.08 -0.53 -0.05 -0.50 -0.26 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.02 -0.01 0.00 0.03 -0.01 0.00 0.01 -0.01 -0.01 0.01 0.01 -0.01 -0.01 -0.02 -0.00 -0.00 0.02 0.00 0.00 -0.00 -0.00 0.01 -0.00 0.01 0.04 0.05 0.00 0.04 -0.08 0.00 -0.01 -0.02 0.02 -0.09 0.04 -0.01 -0.07 0.00 -0.01 0.01 -0.02 0.01 -0.02 0.00 0.01 0.02 -0.11 0.00 0.12 0.06 0.01 0.01 -0.01 0.00 -0.02 0.00 -0.01 -0.02 0.03 0.04 -0.01 0.00 -0.01 0.01 -0.01 -0.02 -0.00 0.01 0.01 -0.03 -0.04 0.03 0.03 0.05 0.00 -0.03 -0.07 -0.01 -0.02 -0.00 0.03 -0.01 0.04 0.00 -0.07 -0.05 -0.03 -0.02 0.04 -0.08 0.03 0.04 -0.01 -0.06 0.08 -0.00 -0.11 0.04 0.19 0.00 -0.05 -0.27 -0.00 0.30 -0.14 0.21 0.24 -0.14 0.06 -0.08 -0.33 0.06 -0.13 0.19 -0.28 0.27 -0.02 -0.39 0.01 -0.03 0.04 -0.02 -0.00 0.01 -0.01 -0.01 -0.04 0.03 0.04 -0.05 0.05 0.06 0.02 0.03 -0.14 -0.04 -0.12 -0.07 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.02 -0.01 0.00 0.02 -0.01 0.00 0.01 -0.00 -0.00 -0.01 -0.02 0.01 -0.00 -0.01 0.00 -0.00 0.02 0.00 -0.00 0.00 0.00 0.01 -0.00 0.01 0.02 0.03 0.00 0.02 -0.04 0.00 0.01 0.03 -0.03 -0.06 0.02 -0.00 -0.05 -0.00 -0.00 -0.02 0.02 -0.02 0.03 0.00 -0.01 0.01 -0.06 0.00 0.07 0.04 0.01 0.01 -0.00 0.00 -0.01 0.00 -0.01 -0.01 0.01 0.02 -0.01 0.00 -0.00 0.00 -0.01 -0.01 -0.00 0.00 0.01 0.03 0.07 -0.04 0.00 0.01 0.01 -0.02 -0.07 0.00 0.04 0.00 -0.04 0.01 -0.05 -0.02 -0.06 -0.04 -0.02 -0.02 0.04 -0.07 -0.03 -0.08 0.03 -0.03 0.05 -0.00 0.18 0.00 -0.23 0.04 0.05 0.39 -0.02 -0.39 0.19 -0.30 -0.24 0.16 0.01 0.06 0.35 -0.10 0.06 -0.25 -0.16 0.16 -0.01 -0.22 0.01 -0.02 0.03 -0.01 -0.00 0.01 -0.01 -0.01 -0.02 0.01 0.02 -0.03 0.03 0.03 0.01 0.02 -0.08 -0.02 -0.07 -0.04 0.00 0.00 0.00 0.00 0.00 0.00 0.01 0.01 0.01 0.00 -0.00 -0.00 -0.08 0.00 -0.07 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 0.01 0.00 0.00 -0.01 0.00 -0.00 -0.00 -0.00 -0.01 0.01 -0.00 -0.01 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.01 0.00 0.02 0.01 0.00 -0.00 -0.01 -0.00 -0.05 -0.02 -0.08 -0.03 0.07 0.13 0.07 -0.01 0.04 0.01 -0.03 -0.06 -0.01 -0.01 -0.03 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.01 -0.00 0.00 -0.00 0.00 -0.00 0.00 -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 0.00 0.01 -0.00 0.01 -0.01 0.00 0.00 0.00 -0.00 0.00 -0.01 0.00 0.00 0.00 0.01 0.00 -0.03 0.03 -0.00 -0.05 -0.00 -0.00 0.00 -0.00 0.00 -0.06 0.05 0.06 -0.08 0.05 0.06 0.27 -0.25 -0.30 -0.06 -0.10 0.58 0.18 0.47 0.31 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.01 0.01 0.01 0.01 0.00 0.01 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 -0.01 -0.02 -0.02 -0.01 -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 0.01 0.03 -0.01 -0.01 -0.01 0.01 -0.00 -0.01 0.01 0.09 0.01 -0.10 0.02 -0.13 -0.04 -0.06 -0.04 -0.03 -0.02 0.04 -0.06 0.02 0.04 -0.06 0.00 0.00 0.00 0.18 0.39 0.17 0.31 -0.13 0.16 -0.26 0.12 -0.05 0.28 -0.12 -0.02 -0.34 0.16 0.13 0.16 0.43 0.18 -0.00 0.01 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.01 -0.00 -0.01 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.01 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.01 0.00 0.01 -0.01 -0.00 -0.01 0.01 -0.00 0.03 -0.04 -0.04 -0.03 -0.00 -0.04 0.00 0.02 -0.00 0.02 -0.00 0.00 -0.00 -0.01 -0.01 -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 -0.01 0.00 0.01 0.01 0.00 -0.00 0.01 0.00 0.00 0.00 0.00 0.00 -0.00 -0.01 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.02 0.04 -0.02 -0.01 -0.03 0.00 -0.02 -0.04 -0.01 -0.36 -0.05 0.40 -0.09 0.54 0.16 0.28 0.22 0.15 0.11 -0.20 0.32 0.03 0.04 -0.04 0.01 0.04 -0.00 0.06 0.09 0.02 0.08 -0.03 0.07 -0.08 -0.01 0.01 0.04 -0.06 0.02 -0.08 0.04 0.06 0.02 0.10 0.01 -0.02 0.03 -0.00 -0.02 0.01 -0.00 -0.01 0.02 0.01 -0.00 0.00 0.00 0.01 -0.00 -0.01 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.01 0.02 0.03 -0.13 0.12 0.05 0.07 -0.04 -0.02 0.04 -0.01 0.00 0.00 0.00 0.00 0.02 0.01 0.00 -0.01 -0.01 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.08 -0.01 -0.00 0.05 0.05 0.00 -0.00 -0.00 -0.00 0.07 -0.05 -0.02 -0.03 -0.08 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.01 0.00 0.02 0.03 0.00 0.05 -0.08 -0.08 0.07 -0.04 -0.03 -0.09 0.05 0.02 -0.11 0.06 0.03 0.02 -0.01 -0.02 -0.01 0.01 0.01 -0.00 0.00 0.00 -0.03 -0.07 -0.01 -0.01 -0.00 0.00 -0.01 -0.00 0.02 0.01 0.01 0.02 0.02 0.01 0.01 -0.01 -0.00 0.03 0.00 0.00 -0.00 0.07 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 0.00 -0.01 0.01 0.00 0.00 0.01 -0.00 -0.01 0.03 -0.02 0.02 0.03 0.00 0.65 -0.55 -0.17 0.20 -0.08 0.01 -0.08 0.07 0.11 -0.02 0.02 0.02 -0.05 0.02 0.02 -0.04 0.04 0.01 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.02 -0.02 0.08 -0.07 -0.04 0.07 -0.06 -0.06 0.05 -0.02 0.01 -0.00 -0.00 -0.00 -0.01 -0.01 -0.00 0.01 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.08 0.02 0.00 -0.05 -0.02 -0.00 0.00 0.00 0.00 -0.05 0.01 0.01 0.04 0.05 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.03 -0.01 0.00 -0.06 -0.02 -0.00 -0.12 0.09 0.05 0.28 -0.15 -0.07 -0.18 0.07 -0.01 -0.21 0.14 0.11 0.03 -0.01 -0.00 -0.00 0.01 0.01 0.00 -0.00 -0.00 0.03 0.06 0.00 0.01 0.01 0.00 0.00 0.00 -0.00 -0.01 0.00 -0.01 -0.01 -0.01 -0.00 0.01 -0.00 -0.02 -0.00 -0.00 0.00 -0.02 -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 0.01 -0.00 0.00 -0.00 -0.01 -0.00 0.02 0.00 0.01 0.07 -0.01 0.01 -0.45 0.39 0.10 0.45 -0.15 0.08 -0.09 0.11 0.17 0.01 -0.00 0.00 -0.12 0.02 0.10 -0.07 0.13 0.05 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.02 0.01 0.02 0.01 -0.03 -0.02 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.01 0.02 -0.00 0.02 0.01 0.00 -0.00 0.04 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.24 0.02 -0.02 0.16 -0.26 0.01 -0.00 -0.01 0.00 0.18 -0.06 0.02 -0.08 0.17 -0.01 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.25 0.21 -0.02 0.27 -0.08 0.02 -0.07 0.01 -0.03 0.05 -0.02 0.00 -0.01 0.00 -0.01 -0.02 0.01 0.01 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.01 0.02 -0.05 -0.11 -0.02 -0.05 -0.15 -0.01 0.00 -0.00 0.01 0.01 0.00 0.01 -0.01 0.00 -0.00 0.00 0.00 -0.01 -0.00 -0.00 -0.00 -0.23 -0.13 -0.02 0.01 0.01 0.00 0.02 -0.01 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.01 0.01 -0.00 0.00 0.01 0.00 0.21 -0.42 0.01 -0.34 -0.16 -0.03 -0.24 0.18 0.07 0.03 -0.01 0.01 -0.00 0.01 0.01 0.00 -0.00 -0.00 -0.01 0.00 0.01 -0.00 0.01 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.04 -0.08 -0.04 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.01 -0.00 0.00 0.03 0.04 0.00 -0.01 -0.04 0.00 0.00 0.00 0.01 0.00 -0.00 -0.01 -0.21 -0.22 -0.01 0.04 0.25 -0.00 -0.00 0.00 -0.00 0.18 0.28 0.03 -0.11 -0.28 -0.01 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.04 -0.12 -0.01 0.13 0.09 0.01 -0.05 0.03 0.02 0.03 -0.01 -0.01 -0.01 0.00 -0.00 -0.00 0.01 0.01 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.01 0.00 0.00 -0.07 -0.10 -0.00 0.02 0.09 -0.00 -0.02 0.01 -0.04 -0.00 -0.01 -0.00 0.01 0.01 0.00 -0.02 0.01 0.04 0.00 -0.00 0.00 0.15 0.30 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 -0.01 0.01 0.00 0.00 0.01 -0.00 -0.10 -0.04 0.00 -0.15 0.07 -0.01 -0.50 0.38 0.11 0.01 -0.00 0.01 0.01 0.00 0.00 0.00 -0.00 -0.00 -0.01 -0.00 0.01 -0.00 0.01 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.20 -0.17 -0.31 -0.07 -0.02 -0.05 0.02 -0.01 -0.01 0.02 -0.01 -0.01 0.00 -0.00 0.00 0.01 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.05 -0.00 -0.00 0.02 -0.02 0.00 -0.00 -0.00 -0.00 0.07 -0.00 0.01 -0.01 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.04 0.03 -0.00 0.04 -0.00 0.00 0.32 0.30 0.52 -0.03 -0.03 -0.07 -0.02 0.02 0.03 -0.01 0.02 0.03 -0.00 -0.00 -0.01 -0.00 0.00 0.00 0.01 0.01 -0.00 -0.03 -0.02 0.02 -0.01 -0.02 -0.00 -0.01 0.00 -0.02 -0.04 -0.00 -0.03 -0.00 0.00 -0.00 0.01 -0.01 -0.00 -0.00 -0.00 0.00 -0.02 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.03 -0.07 -0.00 -0.05 -0.02 -0.00 0.39 -0.35 -0.22 0.06 -0.01 0.04 -0.02 0.01 0.01 0.01 -0.01 -0.01 0.00 0.00 0.00 0.00 -0.00 0.01 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 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 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -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 -0.01 0.00 0.01 0.00 -0.01 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.10 0.36 0.80 -0.01 0.01 -0.01 0.03 -0.00 -0.01 0.00 0.03 0.00 -0.01 -0.01 0.01 0.00 -0.02 0.02 0.03 0.03 0.00 -0.04 -0.14 -0.29 -0.00 -0.00 -0.00 0.09 -0.08 0.08 0.06 0.16 -0.02 -0.02 -0.08 -0.16 -0.01 -0.04 -0.08 0.05 0.09 -0.01 -0.07 0.01 0.04 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.01 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.03 -0.00 -0.03 0.01 -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 0.04 0.08 0.01 -0.00 0.00 0.02 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.02 -0.04 0.00 -0.00 -0.00 -0.20 0.18 -0.19 -0.15 -0.36 0.05 0.05 0.23 0.46 -0.08 -0.20 -0.42 0.16 0.34 -0.05 -0.26 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 -0.01 -0.01 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.01 0.02 -0.00 0.00 -0.00 0.00 0.00 0.00 0.02 -0.01 -0.02 -0.02 0.01 -0.03 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.02 0.08 0.18 -0.01 0.01 -0.01 0.02 -0.01 -0.01 0.00 0.02 0.00 -0.00 -0.00 0.00 0.00 -0.01 0.01 0.01 0.01 0.00 -0.03 -0.12 -0.25 0.00 -0.00 -0.00 -0.16 0.14 -0.15 -0.12 -0.27 0.04 0.04 0.20 0.41 0.09 0.22 0.48 -0.16 -0.33 0.04 0.26 -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 -0.01 -0.03 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.01 0.00 0.01 0.01 0.00 0.00 -0.00 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 0.01 0.01 0.01 -0.00 0.02 0.01 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.05 0.16 0.35 -0.02 0.01 -0.01 0.04 -0.01 -0.01 -0.00 -0.10 -0.01 0.01 0.01 -0.01 0.00 0.03 -0.03 -0.10 -0.10 -0.02 0.10 0.35 0.74 -0.00 -0.00 -0.00 -0.10 0.09 -0.09 -0.07 -0.17 0.03 -0.00 -0.02 -0.05 -0.01 -0.02 -0.04 -0.09 -0.17 0.03 0.14 -0.01 -0.07 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.01 -0.00 -0.00 -0.00 0.03 0.01 -0.05 -0.02 -0.03 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.01 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -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 -0.07 0.02 0.01 -0.02 -0.45 -0.04 0.07 0.05 -0.08 0.01 -0.29 0.30 0.53 0.55 0.10 0.01 0.03 0.06 -0.00 0.00 -0.00 -0.01 0.01 -0.01 -0.01 -0.02 0.00 -0.00 -0.01 -0.01 -0.00 -0.00 -0.01 -0.01 -0.02 0.00 0.01 -0.00 -0.01 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.03 -0.03 -0.03 -0.00 -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 -0.01 0.00 -0.00 0.00 -0.28 -0.01 -0.27 0.17 0.62 0.11 -0.20 -0.30 0.54 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.01 -0.06 -0.02 -0.02 0.00 -0.02 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.01 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.01 0.00 0.00 0.01 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.01 0.04 -0.03 0.02 -0.06 0.01 0.01 0.04 0.83 0.07 -0.14 -0.10 0.15 0.01 -0.23 0.24 0.23 0.23 0.04 0.02 0.06 0.12 -0.00 0.00 -0.00 -0.02 0.02 -0.02 -0.03 -0.06 0.01 -0.00 -0.02 -0.04 -0.01 -0.02 -0.05 -0.03 -0.06 0.01 0.03 -0.00 -0.01 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.01 0.00 -0.00 -0.00 0.01 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -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 -0.03 0.02 0.05 0.03 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.01 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.08 -0.08 0.07 0.20 0.46 -0.08 0.04 0.20 0.42 -0.08 -0.18 -0.42 -0.22 -0.46 0.08 0.10 0.00 -0.04 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.01 -0.01 -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 -0.02 -0.05 -0.03 -0.02 -0.05 -0.03 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.01 0.03 0.06 0.01 -0.00 0.00 -0.03 0.01 0.01 0.00 0.05 0.00 0.00 0.00 -0.00 0.01 -0.10 0.11 -0.03 -0.03 -0.01 0.04 0.12 0.26 -0.00 0.00 -0.00 0.05 -0.06 0.05 0.19 0.44 -0.07 0.03 0.18 0.39 0.07 0.17 0.39 0.22 0.46 -0.08 -0.04 -0.01 0.01 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.02 -0.01 -0.01 -0.00 0.00 0.00 0.00 0.01 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.03 0.06 -0.05 -0.02 -0.00 0.02 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.01 0.02 -0.03 0.02 -0.02 -0.26 0.07 0.06 -0.00 -0.01 -0.00 0.01 0.01 -0.01 0.00 -0.03 0.04 -0.05 -0.05 -0.01 0.00 0.01 0.03 0.00 -0.00 0.00 0.50 -0.42 0.44 -0.17 -0.37 0.04 0.01 0.10 0.17 -0.02 -0.03 -0.06 0.04 0.09 -0.01 0.23 -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 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 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 0.02 0.07 -0.04 -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 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -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 0.07 -0.02 -0.02 -0.00 -0.08 -0.00 0.12 0.07 -0.13 0.05 -0.55 0.61 -0.35 -0.34 -0.08 -0.01 -0.03 -0.07 -0.00 0.00 -0.00 -0.03 0.02 -0.02 -0.02 -0.04 0.01 -0.00 -0.03 -0.06 -0.00 -0.01 -0.03 -0.04 -0.08 0.01 -0.06 0.01 0.03 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.01 -0.00 0.00 -0.01 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.01 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.01 -0.01 0.02 -0.07 -0.01 0.05 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.01 -0.03 -0.07 0.05 -0.03 0.07 -0.02 -0.02 -0.00 0.00 0.00 0.01 0.01 -0.01 0.00 -0.03 0.04 -0.02 -0.02 -0.00 -0.01 -0.04 -0.10 -0.00 0.00 -0.00 -0.15 0.13 -0.14 0.05 0.09 -0.01 -0.00 -0.05 -0.08 -0.06 -0.11 -0.22 0.14 0.32 -0.04 0.73 -0.11 -0.38 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 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 0.02 0.00 -0.00 -0.00 -0.01 -0.01 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.01 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 -0.01 -0.03 0.03 -0.02 0.01 0.89 -0.22 -0.21 0.00 0.03 0.00 -0.01 -0.00 0.01 -0.00 -0.00 0.00 0.07 0.08 0.02 0.00 0.01 0.03 -0.02 0.01 -0.00 0.17 -0.15 0.15 -0.04 -0.08 0.01 0.00 0.04 0.06 0.00 0.00 0.01 0.01 0.02 -0.00 0.02 -0.00 -0.01 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 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 0.04 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.01 -0.02 0.01 0.19 0.66 0.14 0.21 0.31 -0.60 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.07 0.00 -0.05 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.80 -0.03 0.59 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.07 0.05 -0.03 0.00 -0.00 -0.00 0.00 0.01 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.01 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.01 0.03 0.76 -0.53 0.34 -0.03 0.01 0.01 -0.00 -0.07 -0.01 -0.02 -0.01 0.02 0.00 0.00 -0.00 -0.01 -0.01 -0.00 -0.00 -0.00 -0.01 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.01 0.00 0.00 -0.00 -0.00 -0.00 -0.01 -0.02 0.01 0.02 -0.00 0.08 -0.01 -0.04 -0.01 -0.01 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.05 0.05 -0.05 0.00 0.01 -0.01 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.01 -0.04 0.03 -0.02 0.01 -0.00 -0.00 -0.00 -0.25 -0.03 -0.61 -0.34 0.64 0.01 -0.09 0.10 -0.06 -0.06 -0.01 -0.00 -0.01 -0.01 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.04 0.02 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.04 0.03 0.00 0.00 -0.05 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.01 0.00 -0.00 0.01 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.43 -0.19 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 -0.51 -0.38 -0.04 -0.06 0.60 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.06 -0.01 -0.07 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.67 0.02 0.63 0.07 0.25 0.04 -0.09 -0.12 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 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.06 0.03 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.05 -0.03 -0.00 0.00 -0.01 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.01 -0.00 0.00 0.01 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.68 -0.30 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 0.52 0.39 0.04 -0.02 0.10 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 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 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.03 -0.02 -0.00 0.01 -0.07 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.01 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.42 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 0.33 0.24 0.02 -0.08 0.78 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -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 -0.08 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.23 0.34 0.91 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 -0.04 -0.04 -0.05 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.60 0.49 0.63 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 9 9 8 7 7 7 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 1 298.150 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 48 49 9 9 8 7 7 7 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 18.99840 18.99840 15.99491 14.00307 14.00307 14.00307 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 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 359.18092 0.99987 0.00512 -0.01508 -0.00554 0.99961 -0.0275 0.01493 0.02758 0.99951 asymmetric 1 0.01581 0.00562 0.00513 0.32933 0.11716 0.10696 1058735.7 20.32 33.21 58.15 74.54 92.90 120.85 129.83 156.41 172.67 198.40 236.84 246.80 275.60 295.44 315.40 338.63 357.45 361.59 377.83 403.57 428.43 456.67 519.29 559.96 590.59 603.68 630.73 645.23 662.00 709.83 732.76 796.86 812.86 818.50 838.29 861.25 889.11 904.59 981.68 1037.12 1043.81 1065.35 1105.30 1108.54 1146.09 1166.61 1176.62 1210.58 1221.00 1243.65 1263.29 1264.46 1268.27 1278.30 1291.64 1315.21 1353.68 1376.41 1401.74 1403.37 1419.36 1425.56 1453.55 1481.12 1491.23 1535.98 1544.85 1554.48 1569.39 1622.22 1637.39 1644.23 1647.09 1654.16 1672.77 1700.55 1709.38 1716.81 1725.95 1728.03 1753.92 1794.53 1815.38 1826.96 1838.66 1854.83 1883.49 1897.94 1905.35 1912.99 1916.76 1941.78 1947.43 1958.80 1987.72 2021.42 2035.05 2046.97 2053.21 2066.35 2097.96 2120.05 2142.05 2143.41 2152.71 2158.46 2161.00 2167.66 2168.39 2177.36 2181.27 2191.17 2245.26 2270.55 2349.06 2379.07 2469.67 4331.16 4333.01 4339.04 4360.27 4376.81 4383.97 4396.08 4417.63 4430.58 4439.39 4441.02 4445.78 4461.88 4477.60 4491.06 4509.70 4513.55 4541.89 4547.85 4555.26 4578.68 4696.98 5185.62 0.403251 0.426051 0.426996 0.349502 -1215.127509 -1215.104709 -1215.103765 -1215.181259 267.351 89.175 163.100 0.000 0.000 0.000 0.889 2.981 43.529 0.889 2.981 35.609 265.574 83.213 83.962 1 0.593 1.986 7.325 2 0.593 1.985 6.350 3 0.594 1.981 5.239 4 0.596 1.977 4.747 5 0.597 1.971 4.312 6 0.601 1.960 3.795 7 0.602 1.956 3.655 8 0.606 1.942 3.292 9 0.609 1.933 3.100 10 0.614 1.915 2.833 11 0.623 1.886 2.496 12 0.626 1.878 2.419 13 0.634 1.852 2.213 14 0.640 1.832 2.085 15 0.647 1.812 1.966 16 0.655 1.787 1.838 17 0.662 1.765 1.742 18 0.663 1.761 1.721 19 0.670 1.741 1.644 20 0.680 1.710 1.531 21 0.691 1.678 1.429 22 0.704 1.640 1.323 23 0.735 1.553 1.118 24 0.757 1.493 1.003 25 0.775 1.447 0.925 26 0.782 1.428 0.893 27 0.799 1.387 0.832 28 0.807 1.364 0.800 29 0.818 1.339 0.766 30 0.849 1.265 0.675 31 0.864 1.229 0.635 32 0.909 1.131 0.536 33 0.921 1.107 0.514 34 0.925 1.099 0.506 35 0.939 1.069 0.480 36 0.957 1.035 0.452 37 0.978 0.994 0.420 0.528500e+25 24.723045 56.926916 0.146206e+10 9.164964 21.103111 0.100000e+01 0.000000 0.000000 0.267562e+09 8.427424 19.404860 0.135101e+08 7.130657 16.418945 ./ancestor::cml:module[@dictRef='cc:finalization']/cml:molecule[@id='mol9999'] 3.5619 -1.6693 -0.9920 4.0568 -124.4489 -148.3281 -158.3003 -10.0019 -9.9768 3.9752 19.2436 -4.6357 -14.6079 -10.0019 -9.9768 3.9752 194.2815 10.1694 23.4462 32.2931 -58.0584 -57.1579 53.0714 -9.3091 -6.3400 24.8615 -9242.2819 -2731.1396 -1541.2236 -391.1452 -232.1082 -66.3976 46.2519 39.8020 62.7010 -2014.5426 -1812.5324 -765.1064 148.1864 -26.3172 -13.0966 (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A) (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(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 -1215.5307603 3.521E-9 9.018E-6 0.4032511 0.4260515 -1215.1047088 -1215.1037646 -1215.1812586 14.3107382,-3.4479879,-10.8627503,-7.4345372,-7.4156758,2.9506901 C01 [X(C20H23F2N3O1)] 1.4015093 -0.6565629 -0.3900592 -0.6236796 -0.1344662 0.4031946 -0.1130311 -0.3753045 0.0919443 0.1954973 0.0597266 -0.6330776 -0.4348534 0.1931431 0.0163185 0.1078858 -0.9063778 -0.1243229 -0.0747791 -0.0196152 -0.4258652 -0.9412936 -0.0584964 -0.2857395 0.1968685 -0.599783 -0.2469584 -0.0915636 -0.3239093 -0.8084912 -1.2275801 0.4545089 0.1309612 0.7002469 -0.7122442 -0.1960954 0.3052088 -0.2802752 -0.4765346 -0.6272323 0.2678296 0.1752772 0.24152 -0.2249209 -0.1243486 0.034996 -0.0801284 -0.2051346 -0.6937934 0.051845 -0.2354282 0.058387 -0.1462198 0.1609607 -0.2581979 0.1672934 -0.0779535 -0.0386591 0.0706771 -0.0284397 0.0610753 0.1017916 -0.0530605 -0.0435441 -0.0244969 0.1138593 0.0585101 -0.1041512 0.0454498 -0.0712564 0.0180835 0.0128869 -0.0095638 -0.0798038 0.0768461 0.2116306 -0.0246679 -0.0319645 -0.0527222 -0.0840934 0.0658993 -0.0814007 -0.024239 0.0610323 0.033369 0.0350063 -0.0013666 -0.0269844 0.0695644 -0.0055424 0.0170725 0.0504797 -0.0054802 -0.0035893 -0.0027556 0.003497 0.0329959 0.0721824 -0.0569814 0.0708975 0.0007065 0.0721316 -0.3743073 -0.0762667 -0.0011529 0.1953 0.184184 -0.0039987 -0.054122 0.0966828 -0.0759573 0.1789788 0.3202998 0.0132932 0.0175327 0.1109134 0.0095322 0.061433 0.0975668 -0.0955957 0.1598867 -0.0331419 -0.0163788 -0.0110912 0.0865252 -0.0387298 0.0022535 -0.0088595 0.0951496 1.0777419 -0.3231905 -0.0271892 -0.2873041 0.2343106 -0.0373121 0.1066884 -0.0864644 0.004931 -0.0057066 -0.0668016 0.0197553 -0.0226733 -0.0628295 -0.011159 0.0004551 -0.0049991 -0.1310257 -0.0181246 0.033248 0.0454544 -0.011455 0.0494682 0.0493182 0.0140375 0.0197474 0.102117 -0.0117853 0.0241961 -0.0015279 0.0331879 0.0375375 0.0720182 -0.008504 0.0236826 0.0927563 -0.1446061 0.0492803 0.0260219 0.0685349 -0.1131056 0.0055343 0.0154368 0.000276 -0.1270597 -0.0243279 -0.0045928 0.0141472 -0.0213368 0.0496435 0.00489 0.0285426 -0.0200901 -0.1502729 1.8032479 -0.4063716 0.2144091 -1.0233123 1.0270453 0.5095139 -0.0945023 0.6094002 0.955402 -0.6249049 0.1922552 -0.0118375 0.2567057 -0.177087 -0.0497422 -0.0160695 -0.0650356 -0.1684094 0.2267292 0.0123839 0.2350334 0.0753313 -0.1321544 -0.1041049 0.3040668 -0.110922 -0.0589656 0.4930324 -0.241276 -0.1064713 -0.2523442 0.0774987 0.0405258 -0.0026926 -0.0114473 -0.0486069 1.0306677 -0.0377871 -0.3969235 -0.0210657 1.3344629 0.1065154 -0.1748893 0.063421 1.2840169 0.5254207 -0.2020866 -0.2124107 -0.2207051 0.3494403 0.0853626 -0.2247384 0.0809625 0.2313867 0.0281579 -0.0110258 -0.0103126 -0.0055624 -0.0009889 -0.0422292 -0.0092651 -0.0471373 -0.1529634 -0.0465528 0.0794029 -0.0641341 0.0646821 -0.0262389 0.0096951 -0.0675717 0.0267948 -0.0000892 -0.1673532 0.0199282 0.0354091 0.0541289 0.0143397 -0.0272814 0.0513364 -0.0150371 0.0220104 0.0173846 -0.0360919 -0.0247889 -0.0142561 -0.1975195 -0.0455765 -0.0410657 -0.0599669 0.060094 0.0552706 0.019667 0.0724421 -0.0201698 0.0349975 0.0605531 0.090188 0.0374801 -0.0138677 0.0315801 0.0000374 0.0077789 0.0585721 -0.0278255 0.1296528 -0.0227014 0.0834628 -0.0779971 -0.0951214 -0.0871134 -0.0403735 -0.1614696 -0.0931794 -0.0597137 -0.0499083 -0.0601981 0.0522397 -0.0114038 0.0094566 -0.0126146 0.0039723 -0.0069513 -0.0489339 -0.0273261 -0.0698212 -0.1241429 -0.0912469 0.0844173 -0.0129238 0.0474147 0.0368317 0.0039642 -0.011689 0.0060936 0.1269913 -0.0301558 0.0857673 -0.054367 0.1154025 0.0054537 0.050313 -0.0866161 0.0560864 -0.0125339 -0.0127966 -0.0830304 0.0442444 -0.1443274 -0.1487711 0.05667 0.0473387 0.0348852 0.0434893 0.03662 -0.0282178 -0.055759 0.0150636 0.0248726 -0.0997044 0.0277238 -0.0640689 -0.1086085 0.0512595 0.014943 -0.0241093 -0.0097099 0.0141133 -0.1148963 -0.0466268 -0.0289787 -0.1055701 0.0159897 -0.1142864 0.0177336 -0.0827892 -0.1697877 0.0762814 0.0048834 0.0538198 0.0388704 -0.1257706 0.0433702 0.0558354 0.0363557 0.0812116 -0.0109448 0.0801164 -0.0216496 0.0048585 -0.0516757 -0.0886787 -0.0157171 -0.0903072 0.0207089 0.0008512 -0.0203292 -0.0009227 0.1325978 0.0497017 0.0132662 -0.0016674 0.0272952 -0.1342294 -0.0011146 -0.0085481 -0.0072978 0.1323773 0.2444604 0.0359726 0.0729998 0.105158 0.1463523 -0.0311739 0.0290576 0.0172556 0.2762481 0.1383969 0.0078164 -0.0110488 0.0209096 0.1305305 -0.0435075 -0.0142349 -0.0334937 0.0751221 -0.038568 0.0070312 -0.0315099 0.006454 0.0278245 -0.0014366 -0.0509318 -0.0026663 -0.006746 0.0146635 0.0329475 -0.0024104 -0.003644 0.0870187 -0.0333054 -0.0843789 -0.0003851 0.0276976 -0.0097652 -0.0469532 0.0199589 0.057265 -0.0963027 -0.0614355 0.0610097 -0.0450789 0.0608575 -0.0078464 0.0527527 0.0493519 0.0092714 0.009008 0.0707273 0.1275203 0.0111643 -0.0521338 312.9207733|-18.2337014|257.9647209|-3.12051|11.1943249|204.996584 0.000002588 -0.000002862 -0.000005856 -0.000001362 -0.000007973 -0.000010636 0.000005820 -0.000015542 0.000014168 -0.000030081 0.000010577 0.000027370 -0.000002593 -0.000001635 0.000021480 0.000025865 0.000004422 -0.000002311 -0.000001067 -0.000002770 -0.000000110 -0.000002847 -0.000002719 0.000004133 0.000002588 0.000000312 -0.000002822 -0.000001502 0.000001382 0.000002454 -0.000000810 0.000001317 0.000000059 -0.000005375 0.000003530 -0.000009649 0.000002033 -0.000002585 0.000004399 -0.000002630 0.000001392 -0.000000430 0.000017898 -0.000006397 -0.000002795 -0.000000015 0.000001622 0.000000356 -0.000000759 -0.000001460 -0.000000300 -0.000000098 0.000000581 -0.000001211 -0.000003981 -0.000000647 0.000005260 0.000001490 -0.000001864 0.000001513 0.000040618 0.000018449 -0.000047717 -0.000006096 -0.000001315 0.000021226 -0.000015060 -0.000010035 -0.000022988 -0.000029541 0.000004021 -0.000004781 -0.000013499 0.000010478 0.000004569 0.000000707 0.000006605 0.000003571 0.000000153 -0.000000602 0.000000139 -0.000004340 -0.000000773 0.000000474 0.000001232 0.000000854 -0.000000238 0.000000841 0.000000729 -0.000000164 -0.000003387 0.000000268 0.000000962 0.000000363 0.000000127 -0.000000587 -0.000000218 -0.000000334 0.000000048 0.000001063 -0.000000452 -0.000001140 0.000000354 0.000000651 0.000000625 -0.000000252 -0.000001329 -0.000000113 -0.000000395 -0.000000304 -0.000000445 -0.000000425 -0.000000311 -0.000000411 -0.000000418 -0.000000462 -0.000000934 -0.000000223 -0.000000580 -0.000001337 0.000000487 0.000000581 -0.000001019 0.000000123 0.000001462 0.000001546 0.000000444 0.000000062 0.000000228 0.000019704 -0.000004563 0.000003139 0.000000640 -0.000001067 0.000002341 0.000001518 -0.000004386 -0.000002351 -0.000001503 -0.000007043 0.000003200 -0.000004949 0.000005018 -0.000006708 0.000006896 0.000005571 0.000003792 336.23030639999973 AuxInfo=1/0/N:7;8;9;10;11;12;13;14;15;16;17;18;19;20;21;22;23;24;25;26;1;2;4;5;6;3;27;28;29;30;31;32;33;34;35;36;37;38;39;40;41;42;43;44;45;46;47;48;49/rA:49nF0F0O0N0N0N0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:2.3656,.0487,2.5984;3.0851,1.9487,1.7522;.7979,-.345,-1.7869;.8191,1.1362,-.0468;4.7417,-1.1773,-.8202;4.8156,-.6328,.4077;-3.1538,-.7528,.5406;-1.811,-.6655,-.2524;-3.881,.2541,-.4062;-2.2682,-1.059,-1.6935;-3.6908,-.4276,-1.799;-1.6188,.8342,-.2633;-2.9009,1.4053,-.3549;-3.7813,-2.1423,.7249;-.4979,1.6517,-.1958;-3.0844,2.7779,-.3789;-5.1597,-2.0304,1.3928;-2.8557,-3.0492,1.5492;-.6793,3.0448,-.2024;-1.9526,3.5986,-.2899;1.3782,.1762,-.8437;2.7748,-.2238,-.5157;3.6343,-.0516,.6048;3.5415,-.9606,-1.402;3.4201,.6085,1.9204;5.8785,-1.9028,-1.3704;-3.031,-.3053,1.5346;-.9689,-1.2396,.1245;-4.9105,.5144,-.1627;-2.3036,-2.1463,-1.7949;-1.5665,-.6804,-2.4327;-3.7696,.2993,-2.609;-4.4602,-1.1866,-1.9617;-3.9226,-2.6129,-.2537;-4.077,3.21,-.4449;-5.8564,-1.4429,.7894;-5.6026,-3.0192,1.5442;-5.0769,-1.5483,2.3731;-2.6613,-2.6112,2.5344;-3.3095,-4.0324,1.705;-1.8927,-3.201,1.0556;.1905,3.6903,-.1402;-2.0638,4.6771,-.2882;1.4239,1.6418,.5842;3.287,-1.3267,-2.3832;4.309,.5626,2.5494;6.6722,-1.8804,-.6274;5.6004,-2.9377,-1.5779;6.2232,-1.4241,-2.2887; Gaussian 16 15-Oct-2024 Gaussian 16 3-Jul-2019 EM64L-G16RevC.01 141 C1[X(C20H23F2N3O)] RB3LYP 6-311+G(d,p) SP #P B3LYP 6-311+G(d,p) EmpiricalDispersion=gd3 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 0 0 336.23030639999973 AuxInfo=1/0/N:7;8;9;10;11;12;13;14;15;16;17;18;19;20;21;22;23;24;25;26;1;2;4;5;6;3;27;28;29;30;31;32;33;34;35;36;37;38;39;40;41;42;43;44;45;46;47;48;49/rA:49nF0F0O0N0N0N0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:2.3656,.0487,2.5984;3.0851,1.9487,1.7522;.7979,-.345,-1.7869;.8191,1.1362,-.0468;4.7417,-1.1773,-.8202;4.8156,-.6328,.4077;-3.1538,-.7528,.5406;-1.811,-.6655,-.2524;-3.881,.2541,-.4062;-2.2682,-1.059,-1.6935;-3.6908,-.4276,-1.799;-1.6188,.8342,-.2633;-2.9009,1.4053,-.3549;-3.7813,-2.1423,.7249;-.4979,1.6517,-.1958;-3.0844,2.7779,-.3789;-5.1597,-2.0304,1.3928;-2.8557,-3.0492,1.5492;-.6793,3.0448,-.2024;-1.9526,3.5986,-.2899;1.3782,.1762,-.8437;2.7748,-.2238,-.5157;3.6343,-.0516,.6048;3.5415,-.9606,-1.402;3.4201,.6085,1.9204;5.8785,-1.9028,-1.3704;-3.031,-.3053,1.5346;-.9689,-1.2396,.1245;-4.9105,.5144,-.1627;-2.3036,-2.1463,-1.7949;-1.5665,-.6804,-2.4327;-3.7696,.2993,-2.609;-4.4602,-1.1866,-1.9617;-3.9226,-2.6129,-.2537;-4.077,3.21,-.4449;-5.8564,-1.4429,.7894;-5.6026,-3.0192,1.5442;-5.0769,-1.5483,2.3731;-2.6613,-2.6112,2.5344;-3.3095,-4.0324,1.705;-1.8927,-3.201,1.0556;.1905,3.6903,-.1402;-2.0638,4.6771,-.2882;1.4239,1.6418,.5842;3.287,-1.3267,-2.3832;4.309,.5626,2.5494;6.6722,-1.8804,-.6274;5.6004,-2.9377,-1.5779;6.2232,-1.4241,-2.2887; oldchk=opt-b3lyp-pople.chk #P B3LYP 6-311+G(d,p) EmpiricalDispersion=gd3 geom=check guess=read ou 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=1,74=-5,116=-2,124=31/1,2,3 4/5=1/1 5/5=2,38=6/2 6/7=2,8=2,9=2,10=2,28=1/1 99/5=1,6=200,9=1/99 Wavefunction isopyrazam_anti CONF12 gas 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 48 49 19 19 16 14 14 14 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 18.9984033 18.9984033 15.9949146 14.0030740 14.0030740 14.0030740 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 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 1 0 2 2 2 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 6.7500000 6.7500000 5.6000000 4.5500000 4.5500000 4.5500000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 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 (Enter /usr/local/gaussian/gaussian16/g16/l101.exe) 6-311+G(d,p) (5D, 7F) 0.10000e-02 0.10000e-05 F 736 A 710 A 710 1120 736 95 95 2398.3178926791 49 49 49 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 -0.0540402631 0.000000 2.200873 0.000000 4.673711 4.797629 0.000000 3.251416 3.005200 2.285155 0.000000 4.339999 4.374225 4.144947 4.619153 0.000000 3.356455 3.386211 4.587056 4.394025 1.345309 0.000000 5.944829 6.905735 4.604232 4.438144 8.023087 7.971388 0.000000 5.107001 5.901179 3.043605 3.194650 6.597083 6.659465 1.561899 0.000000 6.934715 7.487077 4.914969 4.795655 8.750445 8.779494 1.561717 2.270283 0.000000 6.412488 7.041086 3.149570 4.130623 7.065083 7.401187 2.422557 1.562218 2.445829 0.000000 7.499613 8.010622 4.489464 5.084768 8.522108 8.790354 2.422290 2.445830 1.562257 1.559936 0.000000 4.968109 5.237400 3.090638 2.466046 6.694150 6.633513 2.349694 1.512057 2.339790 2.459986 2.871213 0.000000 6.188570 6.369177 4.335304 3.742423 8.080514 8.017423 2.350096 2.342334 1.512790 2.874848 2.463532 1.406504 0.000000 6.789332 8.058434 5.523419 5.701545 8.715454 8.734170 1.535737 2.649166 2.651768 3.051418 3.052545 3.809554 3.811329 0.000000 4.310104 4.089057 2.863062 1.422131 5.987145 5.815145 3.657511 2.663980 3.666463 3.567209 4.133811 1.388940 2.420823 5.101230 0.000000 6.783527 6.579640 5.177545 4.247737 8.779867 8.640697 3.649073 3.673499 2.646667 4.137139 3.558036 2.437057 1.385027 5.090382 2.827031 0.000000 7.899794 9.161792 6.960150 6.917072 10.181459 10.120790 2.526313 3.972837 3.176502 4.339224 3.861815 4.846318 4.467690 1.535787 6.149277 5.528548 0.000000 6.161150 7.766133 5.638352 5.793873 8.175437 8.123471 2.525840 3.165328 3.973242 3.849793 4.333633 4.460535 4.844591 1.535832 5.540993 6.142063 2.524096 0.000000 5.108181 4.380941 4.022877 2.431594 6.898954 6.640127 4.593112 3.879406 4.252108 4.646442 4.865796 2.402702 2.765248 6.114587 1.404947 2.426287 6.955283 6.703881 0.000000 6.292252 5.680765 5.035702 3.715593 8.240437 8.012529 4.589885 4.266651 3.862378 4.874733 4.637789 2.784601 2.390413 6.109972 2.432254 1.400869 6.693441 6.956406 1.391290 0.000000 3.583222 3.576855 1.223914 1.367144 3.625659 3.746484 4.828882 3.350978 5.277931 3.942650 5.193454 3.122781 4.478853 5.869946 2.473155 5.186510 7.253629 5.835682 3.588010 4.807733 0.000000 3.152721 3.155911 2.353450 2.427789 2.206882 2.277012 6.045150 4.614546 6.673838 5.245675 6.594878 4.526243 5.907060 6.942780 3.785554 6.584813 8.358394 6.629433 4.765873 6.083681 1.489333 0.000000 2.365180 2.370531 3.721714 3.124155 2.127023 1.331215 6.824471 5.546395 7.589110 6.413778 7.718550 5.397472 6.763982 7.705581 4.540557 7.356247 9.048238 7.210910 5.370899 6.733370 2.690689 1.422632 0.000000 4.289998 4.315202 2.838018 3.693740 1.351247 2.237365 6.974444 5.482448 7.586805 5.817859 7.262732 5.580851 6.942431 7.716389 4.959326 7.676268 9.201382 7.348154 5.941158 7.225525 2.506706 1.384163 2.204958 0.000000 1.372916 1.391669 4.639905 3.303524 3.527993 2.403418 6.853628 5.805854 7.670977 6.942426 8.091440 5.496299 6.765044 7.800979 4.573482 7.231967 8.991897 7.273328 5.219878 6.533953 3.463564 2.654023 1.487425 3.676233 0.000000 5.648006 5.691072 5.330380 6.048505 1.456516 2.429922 9.303570 7.868225 10.041381 8.196701 9.691814 8.057680 9.436746 9.887317 7.394071 10.160022 11.379517 9.280316 8.297513 9.631215 4.985214 3.630740 3.516385 2.520031 4.814554 0.000000 5.511873 6.521841 5.068974 4.404838 8.168238 7.933878 1.097016 2.193569 2.191419 3.401528 3.400466 2.554542 2.552138 2.143117 3.638831 3.629155 2.743568 2.749497 4.446503 4.442169 5.032854 6.157789 6.734614 7.228440 6.526877 9.506341 0.000000 4.347285 5.408270 2.752348 2.978387 5.788510 5.823129 2.276805 1.086658 3.315589 2.241882 3.430443 2.207647 3.310277 3.014096 2.946881 4.568297 4.449341 2.977293 4.306668 4.954623 2.907052 3.931563 4.778202 4.769841 5.089548 7.039986 2.667137 0.000000 7.796372 8.345888 5.996875 5.764476 9.821358 9.810149 2.277371 3.317736 1.089508 3.435163 2.247765 3.308803 2.206679 3.020064 4.556989 2.916327 2.992862 4.455575 4.930310 4.275270 6.334544 7.728797 8.597855 8.668767 8.587606 11.122257 2.661866 4.323837 0.000000 6.776513 7.641282 3.586687 4.856135 7.178087 7.604321 2.849413 2.194257 3.190372 1.092620 2.208665 3.420321 3.878707 2.921100 4.499184 5.182915 4.281579 3.507570 5.667677 5.949171 4.455872 5.578783 6.738320 5.977079 7.358861 8.196740 3.873515 2.507549 4.066859 0.000000 6.426899 6.786925 2.473828 3.831879 6.529903 6.985780 3.371192 2.193982 3.215078 1.087327 2.231190 2.646328 3.232334 4.124648 3.403545 4.299057 5.419206 4.809243 4.431541 4.801101 3.453956 4.767602 6.055527 5.218431 6.743594 7.619087 4.245602 2.684994 4.214610 1.760428 0.000000 8.051159 8.290164 4.685378 5.321778 8.821648 9.147392 3.377291 3.212574 2.206098 2.222013 1.091287 3.227150 2.656884 4.132393 4.284449 3.403839 4.834711 5.416549 4.783221 4.423204 5.443454 6.890911 8.078899 7.516360 8.503062 9.973413 4.252190 4.205307 2.707866 2.965322 2.417558 0.000000 8.301378 8.975216 5.327932 6.077294 9.272440 9.589686 2.855907 3.195566 2.197823 2.212028 1.092933 3.878412 3.425076 2.931205 5.184040 4.484962 3.528952 4.286070 5.940966 5.655154 6.098735 7.440687 8.567152 8.024452 8.966148 10.380383 3.878584 4.067508 2.516376 2.366438 2.975224 1.761823 0.000000 7.399982 8.598761 5.456836 6.048307 8.800612 8.984096 2.163774 2.872482 2.871342 2.687829 2.686473 4.146132 4.147284 1.094978 5.469781 5.456995 2.140226 2.139843 6.521599 6.516517 6.018767 7.115576 8.025156 7.730503 8.307703 9.890009 3.052487 3.279194 3.280877 2.283449 3.746189 3.748656 2.289299 0.000000 7.795102 7.596937 6.180917 5.332136 9.856923 9.724846 4.186540 4.493515 2.962684 4.801585 3.900676 3.423491 2.156039 5.486608 3.911621 1.084596 5.657795 6.681759 3.410334 2.165173 6.254814 7.664472 8.438240 8.737920 8.280621 11.229881 4.167771 5.457478 2.835649 5.801555 5.038810 3.640088 4.666634 5.828108 0.000000 8.549823 9.611448 7.219585 7.205117 10.722905 10.709528 2.800435 4.249144 2.865568 4.380281 3.524235 4.924542 4.261057 2.190779 6.265845 5.183016 1.092985 3.487418 6.922817 6.466916 7.591330 8.814068 9.593906 9.662036 9.567665 11.940879 3.135650 4.936729 2.373174 4.449248 5.419108 4.351959 3.095695 2.489317 5.132153 0.000000 8.603260 10.009944 7.695058 7.812627 10.769719 10.748290 3.484356 4.810830 4.181198 5.044074 4.641974 5.829839 5.521037 2.181159 7.134626 6.606487 1.094021 2.747097 8.003856 7.776999 8.040179 9.068559 9.747267 9.825065 9.731907 11.897773 3.738743 5.162716 3.984784 4.774386 6.129915 5.623344 4.117597 2.493962 6.714671 1.766052 0.000000 7.615271 8.901247 7.298413 6.915619 10.331466 10.127317 2.773010 4.282411 3.521873 4.966394 4.536914 4.958427 4.571736 2.179021 6.148715 5.500868 1.095604 2.804521 6.860677 6.583591 7.415550 8.470496 9.013974 9.427244 8.778090 11.582764 2.536470 4.693314 3.273038 5.041943 6.014330 5.472193 4.393362 3.060365 5.619827 1.768336 1.768342 0.000000 5.687645 7.377367 5.981263 5.728796 8.253109 8.021316 2.769774 3.503595 4.283057 4.520912 4.960427 4.559073 4.953517 2.179117 5.505140 6.140721 2.807593 1.095557 6.588555 6.858634 5.958114 6.674929 7.064680 7.529560 6.908439 9.416903 2.540298 3.248546 4.701322 4.368862 5.440466 6.012851 5.047810 3.060065 6.690787 3.823432 3.130193 2.643987 0.000000 7.047024 8.755950 6.531577 6.843174 8.907841 8.902693 3.483745 4.172935 4.812299 4.634142 5.041633 5.515206 5.829151 2.180822 6.620233 7.125583 2.743925 1.094059 7.787417 8.003375 6.795830 7.513736 8.079210 8.125605 8.177485 9.920321 3.741364 3.971925 5.169644 4.101066 5.603126 6.130840 4.782051 2.495476 7.593702 3.745813 2.512156 3.121054 1.768592 0.000000 5.574416 7.196047 4.845212 5.232645 7.185326 7.212287 2.801692 2.854194 4.245922 3.505229 4.367309 4.254162 4.921771 2.190212 5.201939 6.263006 3.486746 1.092706 6.485795 6.931751 5.070692 5.754878 6.377279 6.370991 6.594356 8.243938 3.148030 2.359530 4.939193 3.067022 4.316035 5.404141 4.444580 2.486037 6.937145 4.344302 3.746350 3.821827 1.767914 1.766435 0.000000 5.048984 3.872003 4.400405 2.631971 6.698406 6.354523 5.602528 4.794932 5.334354 5.569002 5.896890 3.383130 3.850190 7.109305 2.152401 3.408041 7.981260 7.586427 1.084946 2.150365 3.775462 4.705282 5.139620 5.869500 4.916624 8.071491 5.398906 5.071306 6.008971 6.559319 5.238826 5.768535 6.980757 7.527308 4.305288 7.986161 9.022991 7.842519 7.415847 8.677271 7.297908 0.000000 7.026755 6.174025 5.971355 4.572549 8.992923 8.718139 5.599849 5.348721 4.783211 5.909289 5.566679 3.868640 3.377854 7.104924 3.407948 2.157975 7.576278 7.981160 2.142098 1.084206 5.693387 6.890852 7.458323 8.027681 7.176685 10.370527 5.392849 6.031344 5.044582 6.991934 5.792176 5.240310 6.551795 7.523321 2.495951 7.280030 8.666798 7.410578 7.838567 9.021124 7.993740 2.465370 0.000000 2.735284 2.053726 3.156116 1.009767 4.574605 4.087543 5.166338 4.060551 5.572134 5.110193 6.010184 3.260120 4.431892 6.436847 2.074091 4.748011 7.581720 6.422727 2.647851 3.999347 2.046676 2.552491 2.784499 3.898835 2.614876 6.018948 4.953885 3.773497 6.477219 5.822746 4.841137 6.242703 7.007456 6.883981 5.811965 7.909520 8.486357 7.459051 6.211292 7.473819 5.888524 2.498476 4.705218 0.000000 5.249493 5.279290 2.741365 4.196992 2.140403 3.256919 7.096578 5.564787 7.601796 5.604299 7.059692 5.764568 7.061703 7.764409 5.289690 7.839640 9.279007 7.494228 6.292707 7.489642 2.876161 2.228482 3.267208 1.077816 4.720567 2.841406 7.503993 4.940539 8.690208 5.680919 4.896569 7.245008 7.759969 7.626738 8.863855 9.678893 9.864790 9.624272 7.824034 8.218783 6.493678 6.307876 8.310645 4.592215 0.000000 2.010768 2.013702 5.652891 4.387351 3.816938 2.504477 7.839568 6.841991 8.712459 7.993244 9.158926 6.566875 7.818403 8.723421 5.641681 8.255031 9.885228 8.085676 6.214320 7.515848 4.500250 3.516738 2.148057 4.303785 1.089966 4.889437 7.460491 6.081472 9.610309 8.362905 7.803065 9.588665 10.015456 9.257417 9.289794 10.509779 10.586770 9.621956 7.658891 8.936925 7.406574 5.829089 8.099057 3.653820 5.380050 0.000000 5.716095 5.761280 6.181392 6.610238 2.063619 2.464771 9.959204 8.577947 10.769161 9.041185 10.529721 8.731680 10.124915 10.543854 8.004500 10.814497 12.004077 9.842991 8.859112 10.223600 5.683562 4.236315 3.753921 3.353744 4.823104 1.087443 10.065172 7.704702 11.836845 9.055345 8.519103 10.849376 11.233582 10.626645 11.895034 12.616074 12.517342 12.130745 9.881605 10.474057 8.828044 8.560483 10.928635 6.435689 3.853460 4.652436 0.000000 6.068249 6.425992 5.461699 6.465370 2.100079 3.141849 9.268112 7.864396 10.072602 8.090668 9.626842 8.250595 9.624404 9.692895 7.756389 10.465744 11.199501 9.016500 8.781671 10.071298 5.297392 4.059206 4.118169 2.859929 5.437578 1.091447 9.545619 6.995545 11.153465 7.946532 7.562444 9.966865 10.219149 9.620123 11.520892 11.793984 11.630237 11.469370 9.234423 9.558405 7.946823 8.675447 10.880697 6.564219 2.931838 5.563662 1.780431 0.000000 6.397901 6.127971 5.554286 6.386258 2.100509 3.142919 9.817468 8.322839 10.414126 8.520100 9.975961 8.408227 9.746444 10.473154 7.681985 10.389182 11.978773 9.989816 8.483411 9.801359 5.303070 4.058945 4.118029 2.862291 5.450225 1.091444 10.075185 7.588384 11.499436 8.571580 7.826413 10.145342 10.691082 10.415908 11.444153 12.465626 12.533351 12.224557 10.178711 10.659523 8.955984 8.195431 10.483385 6.378517 2.939331 5.569379 1.780364 1.784381 0.000000 C20H23F2N3O 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 0 0 336.23030639999973 AuxInfo=1/0/N:7;8;9;10;11;12;13;14;15;16;17;18;19;20;21;22;23;24;25;26;1;2;4;5;6;3;27;28;29;30;31;32;33;34;35;36;37;38;39;40;41;42;43;44;45;46;47;48;49/rA:49nF0F0O0N0N0N0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:2.3653,.0469,2.5981;3.0852,1.9471,1.7527;.7975,-.3445,-1.7873;.8191,1.1359,-.0467;4.7411,-1.1783,-.8209;4.8151,-.6343,.4072;-3.1543,-.7522,.5399;-1.8115,-.665,-.253;-3.8812,.2552,-.4065;-2.2688,-1.0578,-1.6943;-3.6912,-.426,-1.7995;-1.6189,.8347,-.2633;-2.9008,1.4061,-.3547;-3.7822,-2.1417,.7236;-.4978,1.6518,-.1955;-3.084,2.7788,-.3782;-5.1606,-2.0297,1.3915;-2.8568,-3.0492,1.5476;-.6788,3.045,-.2015;-1.952,3.5992,-.2888;1.378,.1761,-.8439;2.7745,-.2244,-.5161;3.6339,-.0528,.6045;3.5409,-.961,-1.4026;3.4199,.6067,1.9204;5.8777,-1.9039,-1.3714;-3.0314,-.3052,1.5341;-.9695,-1.2395,.1237;-4.9107,.5156,-.1629;-2.3045,-2.1451,-1.7961;-1.5669,-.6791,-2.4333;-3.7698,.3013,-2.6093;-4.4608,-1.1847,-1.9626;-3.9236,-2.6119,-.2551;-4.0765,3.2112,-.444;-5.8571,-1.4417,.7884;-5.6037,-3.0184,1.5426;-5.0776,-1.548,2.3721;-2.6624,-2.6116,2.533;-3.3109,-4.0323,1.703;-1.8939,-3.201,1.054;.1912,3.6902,-.139;-2.0629,4.6777,-.2866;1.424,1.6411,.5846;3.2864,-1.3267,-2.384;4.3088,.5604,2.5494;6.6714,-1.882,-.6284;5.5994,-2.9385,-1.5793;6.2226,-1.4248,-2.2895; 0.3293348 0.1171602 0.1069557 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= 710 RedAO= T EigKep= 1.12D-06 NBF= 710 NBsUse= 706 1.00D-06 EigRej= 5.19D-07 NBFU= 706 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= 727 727 727 727 727 MxSgAt= 49 MxSgA2= 49. 1 Closed 1 1 1 -1215.53076025188 -1215.53076025 1 1.210544898327e+03 -7.635300950415e+03 2.810961439420e+03 Using DIIS extrapolation, IDIIS= 1040. NGot= 4246732800 LenX= 4245623558 LenY= 4245081126 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. PT1435.100S 2024-10-15T19:03:31.000 -24.70620 -24.70063 -19.09214 -14.42633 -14.36494 -14.34808 -10.35705 -10.28756 -10.23928 -10.23417 -10.23149 -10.21407 -10.20376 -10.17241 -10.17125 -10.17063 -10.17012 -10.16954 -10.16931 -10.16880 -10.16763 -10.16696 -10.15900 -10.15377 -10.15264 -10.15187 -1.26979 -1.21199 -1.08987 -1.04713 -0.94123 -0.88866 -0.88514 -0.83301 -0.82284 -0.78842 -0.77087 -0.75532 -0.73558 -0.71580 -0.70239 -0.69006 -0.67858 -0.65834 -0.62465 -0.61268 -0.61006 -0.59626 -0.57597 -0.57333 -0.56312 -0.55483 -0.54591 -0.53984 -0.52433 -0.51282 -0.51026 -0.50125 -0.49259 -0.47600 -0.46026 -0.45344 -0.44831 -0.44595 -0.44168 -0.43731 -0.43110 -0.43025 -0.42954 -0.42680 -0.41939 -0.41824 -0.41106 -0.39509 -0.39224 -0.38159 -0.37227 -0.36899 -0.36508 -0.35580 -0.35067 -0.34139 -0.33732 -0.33275 -0.32408 -0.32158 -0.31837 -0.31081 -0.29896 -0.29134 -0.28875 -0.27883 -0.26674 -0.23443 -0.22905 -0.04290 -0.02766 -0.00876 -0.00598 -0.00251 0.00478 0.01069 0.01505 0.01880 0.02492 0.02646 0.02868 0.03380 0.03677 0.03834 0.04239 0.04801 0.04896 0.05378 0.05514 0.05789 0.06260 0.06470 0.06711 0.07302 0.07402 0.08027 0.08281 0.08850 0.08923 0.09448 0.09730 0.09773 0.10115 0.10439 0.10687 0.11160 0.11469 0.11744 0.12010 0.12206 0.12402 0.12717 0.12983 0.13431 0.13694 0.13984 0.14191 0.14886 0.15080 0.15342 0.15522 0.15766 0.16130 0.16413 0.16728 0.16972 0.17096 0.17104 0.17556 0.17852 0.18082 0.18212 0.18576 0.18727 0.19074 0.19169 0.19326 0.19421 0.19702 0.20032 0.20236 0.20456 0.20640 0.20863 0.21146 0.21285 0.21598 0.21923 0.22048 0.22285 0.22620 0.22734 0.23130 0.23297 0.23512 0.23601 0.23993 0.24189 0.24438 0.24543 0.24770 0.24893 0.25229 0.25585 0.25762 0.26183 0.26482 0.26768 0.26883 0.27105 0.27410 0.27637 0.27899 0.28369 0.28570 0.28830 0.29117 0.29499 0.29838 0.30150 0.30623 0.30646 0.31000 0.31294 0.31518 0.31940 0.32254 0.32427 0.32819 0.33178 0.33341 0.33792 0.34168 0.34361 0.34948 0.35348 0.35703 0.35992 0.36448 0.36723 0.37175 0.37309 0.37766 0.38172 0.38947 0.39067 0.39275 0.40223 0.40541 0.41086 0.41733 0.41783 0.42104 0.42374 0.43175 0.43692 0.44525 0.44590 0.45527 0.45941 0.46363 0.47324 0.48064 0.48325 0.49448 0.50195 0.50461 0.51289 0.51702 0.52169 0.52402 0.52723 0.53730 0.54003 0.54910 0.55102 0.55829 0.56671 0.56844 0.57243 0.57408 0.58613 0.59077 0.59595 0.59877 0.60301 0.60977 0.61313 0.61876 0.62647 0.62703 0.63832 0.64245 0.64670 0.65004 0.65577 0.66199 0.66582 0.66707 0.66848 0.67286 0.67851 0.68845 0.69456 0.69566 0.69940 0.70304 0.70372 0.70795 0.70977 0.71378 0.71456 0.72166 0.72469 0.72571 0.73240 0.73275 0.73853 0.74002 0.74568 0.75461 0.75763 0.76186 0.77201 0.77279 0.77708 0.78023 0.78954 0.78989 0.79468 0.80011 0.80588 0.81303 0.82140 0.82287 0.82710 0.82927 0.84024 0.84210 0.85166 0.85521 0.85987 0.86654 0.87361 0.88245 0.88917 0.89544 0.89816 0.90226 0.91274 0.91510 0.93662 0.94228 0.95398 0.96061 0.96470 0.97357 0.98547 0.99003 0.99415 1.00115 1.00433 1.01797 1.02006 1.02870 1.03260 1.04925 1.05327 1.06587 1.07361 1.07735 1.08143 1.08496 1.10084 1.10166 1.11271 1.11739 1.14754 1.15191 1.15706 1.17717 1.18304 1.18753 1.20480 1.22056 1.22199 1.23139 1.24848 1.25804 1.26231 1.26863 1.29390 1.29966 1.31266 1.31772 1.32530 1.34253 1.35073 1.35786 1.37028 1.37384 1.38445 1.39959 1.40443 1.41028 1.42877 1.43092 1.43430 1.44400 1.45218 1.46396 1.47063 1.47896 1.48162 1.49312 1.49867 1.50263 1.50721 1.51753 1.52037 1.52295 1.53448 1.53654 1.54577 1.55298 1.55794 1.56318 1.56924 1.57266 1.57439 1.58373 1.58768 1.59124 1.59932 1.60462 1.61040 1.61259 1.61704 1.62726 1.63008 1.63620 1.64213 1.65223 1.65599 1.66513 1.66935 1.68106 1.68315 1.68597 1.70460 1.70714 1.71124 1.72540 1.73134 1.73641 1.73766 1.74379 1.75626 1.76102 1.76543 1.77420 1.78065 1.78468 1.78584 1.79409 1.80139 1.81917 1.82285 1.83089 1.83628 1.84081 1.84717 1.85109 1.85968 1.86573 1.87277 1.88435 1.88620 1.89666 1.91237 1.91632 1.92331 1.93674 1.94385 1.94834 1.94989 1.95800 1.96827 1.97026 1.98481 1.99391 1.99988 2.00455 2.00617 2.01242 2.02717 2.03624 2.04254 2.05181 2.06014 2.07513 2.08437 2.09415 2.10015 2.10875 2.11452 2.12048 2.13053 2.13523 2.14063 2.16348 2.16605 2.17480 2.18118 2.18852 2.20694 2.22335 2.22961 2.24993 2.25917 2.27263 2.28478 2.28842 2.29846 2.30997 2.32249 2.33261 2.33727 2.34731 2.35702 2.37078 2.37956 2.40164 2.41234 2.42086 2.43125 2.43563 2.44323 2.45124 2.45521 2.47082 2.47652 2.48873 2.50063 2.50591 2.51671 2.52005 2.53684 2.54292 2.55586 2.56191 2.58145 2.59461 2.60503 2.60864 2.61683 2.61899 2.62378 2.63862 2.64471 2.64793 2.65767 2.66248 2.68561 2.69064 2.70384 2.70926 2.72026 2.72414 2.73858 2.74189 2.74762 2.74969 2.75438 2.76892 2.77403 2.78214 2.78978 2.79538 2.79817 2.81330 2.82018 2.83103 2.84353 2.85651 2.86820 2.87583 2.88333 2.89924 2.90724 2.91134 2.91709 2.92766 2.93349 2.94240 2.95472 2.96225 2.97581 2.97980 2.99713 3.00565 3.01214 3.02487 3.03682 3.04162 3.04851 3.06707 3.06936 3.07521 3.07963 3.10325 3.14250 3.15257 3.16265 3.17584 3.18423 3.21708 3.22440 3.24298 3.27636 3.29315 3.29986 3.33479 3.36192 3.38884 3.39828 3.41064 3.41704 3.44066 3.46309 3.49753 3.50800 3.56409 3.58308 3.60339 3.63323 3.64865 3.68094 3.68602 3.68801 3.70251 3.73997 3.76841 3.77584 3.79239 3.80382 3.81079 3.82525 3.83021 3.84482 3.84561 3.84661 3.85629 3.89290 3.93815 3.97691 3.98297 3.98854 3.99461 4.01195 4.04045 4.05375 4.06436 4.07688 4.11126 4.13302 4.13675 4.18144 4.20783 4.25900 4.29033 4.30812 4.33555 4.36648 4.37590 4.39239 4.44214 4.58877 4.76435 4.87316 4.87747 4.90979 4.97785 5.12103 5.14890 5.33925 5.43224 5.84440 6.35384 6.39177 6.41302 6.46479 6.56854 6.66975 23.62288 23.66047 23.75107 23.84875 23.86623 23.89606 23.89790 23.90637 23.94729 23.95911 23.96983 23.98408 23.99599 23.99951 24.02635 24.10221 24.11154 24.11411 24.14789 24.21522 35.48846 35.56322 35.66725 50.06436 66.75977 66.82790 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 48 49 F F O N N N 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 -0.079305 -0.110195 -0.273175 0.095586 0.095724 -0.111046 -0.340754 0.194570 0.617660 -0.420299 -0.530836 -0.160017 -0.328591 0.154688 -0.042330 0.048596 -0.552760 -0.546041 -0.035772 -0.173617 -0.720481 1.036240 -0.960743 0.031593 -0.031123 -0.290449 0.133391 0.130728 0.117971 0.134913 0.177976 0.140859 0.141069 0.128285 0.108966 0.133073 0.136648 0.139642 0.141439 0.136581 0.137266 0.112022 0.123278 0.279664 0.148397 0.197980 0.189609 0.172082 0.171039 -0.00000 3.5619 -1.6693 -0.9920 4.0568 -124.4489 -148.3281 -158.3003 -10.0019 -9.9768 3.9752 19.2436 -4.6357 -14.6079 -10.0019 -9.9768 3.9752 194.2814 10.1695 23.4462 32.2930 -58.0583 -57.1579 53.0714 -9.3091 -6.3400 24.8615 -9242.2821 -2731.1395 -1541.2236 -391.1452 -232.1081 -66.3977 46.2519 39.8020 62.7010 -2014.5425 -1812.5324 -765.1064 148.1864 -26.3172 -13.0967 (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A) (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(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-HAMILTON09 APULGAR 2024-10-15T00:00:00.000 0 Wavefunction isopyrazam_anti CONF12 gas 0 1 Version=EM64L-G16RevC.01 State=1-A HF=-1215.5307603 RMSD=4.381e-09 Dipole=1.4015073,-0.6565609,-0.3900585 Quadrupole=14.3107375,-3.4479845,-10.862753,-7.4345367,-7.4156688,2.9506877 PG=C01 [X(C20H23F2N3O1)] 0 2.3656441277 0.0486564257 2.5984154042 0 3.0850693253 1.9487091179 1.7522078229 0 0.7978992949 -0.3449703851 -1.786879086 0 0.8191433764 1.1361599336 -0.0468396975 0 4.7416685954 -1.1773356779 -0.8202163371 0 4.8156074623 -0.6327678647 0.4077228155 0 -3.1537705048 -0.7527651008 0.5405578423 0 -1.8109757977 -0.6655058921 -0.252421908 0 -3.8809727142 0.2540836814 -0.4062219888 0 -2.2682415625 -1.0590023797 -1.693460488 0 -3.6907869227 -0.4276287155 -1.7989693774 0 -1.6187595553 0.8342438332 -0.2633119626 0 -2.900858398 1.4052881576 -0.3548713065 0 -3.7812826389 -2.1422763748 0.724881349 0 -0.4978652518 1.6516740625 -0.1958014536 0 -3.0844105419 2.7778882937 -0.3789038699 0 -5.1597041465 -2.0303536238 1.3927649593 0 -2.8556787882 -3.0492027693 1.5492123004 0 -0.6793214402 3.0448376476 -0.2024042637 0 -1.9526407685 3.5986279896 -0.2899314579 0 1.378219271 0.1762012269 -0.8437066737 0 2.7748304739 -0.2238323366 -0.5157399363 0 3.6342804374 -0.0515879854 0.6047778411 0 3.5414760075 -0.9605713512 -1.4019551763 0 3.4200629914 0.6084727768 1.9204004906 0 5.8785059712 -1.9028302585 -1.3703969177 0 -3.0310028654 -0.3053401477 1.5346317356 0 -0.9688848328 -1.2396294388 0.1245278165 0 -4.9105278977 0.514368316 -0.1627170986 0 -2.3036114631 -2.1463286208 -1.7948998562 0 -1.5664708476 -0.6803957422 -2.4326862892 0 -3.7695590918 0.2993431272 -2.6090399093 0 -4.4602408113 -1.1865559088 -1.9616740394 0 -3.9225639178 -2.6129004641 -0.2536530661 0 -4.0770123373 3.2100224367 -0.4448643933 0 -5.8564149144 -1.4428627801 0.7893863708 0 -5.602606878 -3.0191863078 1.5441877096 0 -5.0768914913 -1.5482974998 2.3731286836 0 -2.6613305407 -2.611181398 2.5344078048 0 -3.3094896911 -4.0324318884 1.7050377364 0 -1.8927044558 -3.201011281 1.0556126172 0 0.1905453721 3.6902589468 -0.1401826715 0 -2.0638428899 4.6771151671 -0.2881573477 0 1.4239391523 1.6417530021 0.5842121391 0 3.2870028296 -1.3267188194 -2.3832123902 0 4.3090130126 0.562568582 2.5494364988 0 6.6722167727 -1.8804177653 -0.627393533 0 5.6004426732 -2.9376632511 -1.5779016761 0 6.2231998106 -1.4240546958 -2.2886617662 Gaussian 16 15-Oct-2024 Gaussian 16 3-Jul-2019 EM64L-G16RevC.01 141 C1[X(C20H23F2N3O)] RB3LYP TD-FC 6-311+G(d,p) SP #P B3LYP 6-311+G(d,p) EmpiricalDispersion=gd3 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 0 0 336.23030639999973 AuxInfo=1/0/N:7;8;9;10;11;12;13;14;15;16;17;18;19;20;21;22;23;24;25;26;1;2;4;5;6;3;27;28;29;30;31;32;33;34;35;36;37;38;39;40;41;42;43;44;45;46;47;48;49/rA:49nF0F0O0N0N0N0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:2.3656,.0487,2.5984;3.0851,1.9487,1.7522;.7979,-.345,-1.7869;.8191,1.1362,-.0468;4.7417,-1.1773,-.8202;4.8156,-.6328,.4077;-3.1538,-.7528,.5406;-1.811,-.6655,-.2524;-3.881,.2541,-.4062;-2.2682,-1.059,-1.6935;-3.6908,-.4276,-1.799;-1.6188,.8342,-.2633;-2.9009,1.4053,-.3549;-3.7813,-2.1423,.7249;-.4979,1.6517,-.1958;-3.0844,2.7779,-.3789;-5.1597,-2.0304,1.3928;-2.8557,-3.0492,1.5492;-.6793,3.0448,-.2024;-1.9526,3.5986,-.2899;1.3782,.1762,-.8437;2.7748,-.2238,-.5157;3.6343,-.0516,.6048;3.5415,-.9606,-1.402;3.4201,.6085,1.9204;5.8785,-1.9028,-1.3704;-3.031,-.3053,1.5346;-.9689,-1.2396,.1245;-4.9105,.5144,-.1627;-2.3036,-2.1463,-1.7949;-1.5665,-.6804,-2.4327;-3.7696,.2993,-2.609;-4.4602,-1.1866,-1.9617;-3.9226,-2.6129,-.2537;-4.077,3.21,-.4449;-5.8564,-1.4429,.7894;-5.6026,-3.0192,1.5442;-5.0769,-1.5483,2.3731;-2.6613,-2.6112,2.5344;-3.3095,-4.0324,1.705;-1.8927,-3.201,1.0556;.1905,3.6903,-.1402;-2.0638,4.6771,-.2882;1.4239,1.6418,.5842;3.287,-1.3267,-2.3832;4.309,.5626,2.5494;6.6722,-1.8804,-.6274;5.6004,-2.9377,-1.5779;6.2232,-1.4241,-2.2887; oldchk=opt-b3lyp-pople.chk #P B3LYP 6-311+G(d,p) EmpiricalDispersion=gd3 geom=check guess=read td 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=1,74=-5,116=-2,124=31/1,2,3,8 4/5=1/1 5/5=2,38=6/2 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 isopyrazam_anti CONF12 gas 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 48 49 19 19 16 14 14 14 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 18.9984033 18.9984033 15.9949146 14.0030740 14.0030740 14.0030740 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 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 1 0 2 2 2 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 6.7500000 6.7500000 5.6000000 4.5500000 4.5500000 4.5500000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 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 (Enter /usr/local/gaussian/gaussian16/g16/l101.exe) 6-311+G(d,p) (5D, 7F) 0.10000e-02 0.10000e-05 F 736 A 710 A 710 1120 736 95 95 2398.3178926791 49 49 49 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 -0.0540402631 0.000000 2.200873 0.000000 4.673711 4.797629 0.000000 3.251416 3.005200 2.285155 0.000000 4.339999 4.374225 4.144947 4.619153 0.000000 3.356455 3.386211 4.587056 4.394025 1.345309 0.000000 5.944829 6.905735 4.604232 4.438144 8.023087 7.971388 0.000000 5.107001 5.901179 3.043605 3.194650 6.597083 6.659465 1.561899 0.000000 6.934715 7.487077 4.914969 4.795655 8.750445 8.779494 1.561717 2.270283 0.000000 6.412488 7.041086 3.149570 4.130623 7.065083 7.401187 2.422557 1.562218 2.445829 0.000000 7.499613 8.010622 4.489464 5.084768 8.522108 8.790354 2.422290 2.445830 1.562257 1.559936 0.000000 4.968109 5.237400 3.090638 2.466046 6.694150 6.633513 2.349694 1.512057 2.339790 2.459986 2.871213 0.000000 6.188570 6.369177 4.335304 3.742423 8.080514 8.017423 2.350096 2.342334 1.512790 2.874848 2.463532 1.406504 0.000000 6.789332 8.058434 5.523419 5.701545 8.715454 8.734170 1.535737 2.649166 2.651768 3.051418 3.052545 3.809554 3.811329 0.000000 4.310104 4.089057 2.863062 1.422131 5.987145 5.815145 3.657511 2.663980 3.666463 3.567209 4.133811 1.388940 2.420823 5.101230 0.000000 6.783527 6.579640 5.177545 4.247737 8.779867 8.640697 3.649073 3.673499 2.646667 4.137139 3.558036 2.437057 1.385027 5.090382 2.827031 0.000000 7.899794 9.161792 6.960150 6.917072 10.181459 10.120790 2.526313 3.972837 3.176502 4.339224 3.861815 4.846318 4.467690 1.535787 6.149277 5.528548 0.000000 6.161150 7.766133 5.638352 5.793873 8.175437 8.123471 2.525840 3.165328 3.973242 3.849793 4.333633 4.460535 4.844591 1.535832 5.540993 6.142063 2.524096 0.000000 5.108181 4.380941 4.022877 2.431594 6.898954 6.640127 4.593112 3.879406 4.252108 4.646442 4.865796 2.402702 2.765248 6.114587 1.404947 2.426287 6.955283 6.703881 0.000000 6.292252 5.680765 5.035702 3.715593 8.240437 8.012529 4.589885 4.266651 3.862378 4.874733 4.637789 2.784601 2.390413 6.109972 2.432254 1.400869 6.693441 6.956406 1.391290 0.000000 3.583222 3.576855 1.223914 1.367144 3.625659 3.746484 4.828882 3.350978 5.277931 3.942650 5.193454 3.122781 4.478853 5.869946 2.473155 5.186510 7.253629 5.835682 3.588010 4.807733 0.000000 3.152721 3.155911 2.353450 2.427789 2.206882 2.277012 6.045150 4.614546 6.673838 5.245675 6.594878 4.526243 5.907060 6.942780 3.785554 6.584813 8.358394 6.629433 4.765873 6.083681 1.489333 0.000000 2.365180 2.370531 3.721714 3.124155 2.127023 1.331215 6.824471 5.546395 7.589110 6.413778 7.718550 5.397472 6.763982 7.705581 4.540557 7.356247 9.048238 7.210910 5.370899 6.733370 2.690689 1.422632 0.000000 4.289998 4.315202 2.838018 3.693740 1.351247 2.237365 6.974444 5.482448 7.586805 5.817859 7.262732 5.580851 6.942431 7.716389 4.959326 7.676268 9.201382 7.348154 5.941158 7.225525 2.506706 1.384163 2.204958 0.000000 1.372916 1.391669 4.639905 3.303524 3.527993 2.403418 6.853628 5.805854 7.670977 6.942426 8.091440 5.496299 6.765044 7.800979 4.573482 7.231967 8.991897 7.273328 5.219878 6.533953 3.463564 2.654023 1.487425 3.676233 0.000000 5.648006 5.691072 5.330380 6.048505 1.456516 2.429922 9.303570 7.868225 10.041381 8.196701 9.691814 8.057680 9.436746 9.887317 7.394071 10.160022 11.379517 9.280316 8.297513 9.631215 4.985214 3.630740 3.516385 2.520031 4.814554 0.000000 5.511873 6.521841 5.068974 4.404838 8.168238 7.933878 1.097016 2.193569 2.191419 3.401528 3.400466 2.554542 2.552138 2.143117 3.638831 3.629155 2.743568 2.749497 4.446503 4.442169 5.032854 6.157789 6.734614 7.228440 6.526877 9.506341 0.000000 4.347285 5.408270 2.752348 2.978387 5.788510 5.823129 2.276805 1.086658 3.315589 2.241882 3.430443 2.207647 3.310277 3.014096 2.946881 4.568297 4.449341 2.977293 4.306668 4.954623 2.907052 3.931563 4.778202 4.769841 5.089548 7.039986 2.667137 0.000000 7.796372 8.345888 5.996875 5.764476 9.821358 9.810149 2.277371 3.317736 1.089508 3.435163 2.247765 3.308803 2.206679 3.020064 4.556989 2.916327 2.992862 4.455575 4.930310 4.275270 6.334544 7.728797 8.597855 8.668767 8.587606 11.122257 2.661866 4.323837 0.000000 6.776513 7.641282 3.586687 4.856135 7.178087 7.604321 2.849413 2.194257 3.190372 1.092620 2.208665 3.420321 3.878707 2.921100 4.499184 5.182915 4.281579 3.507570 5.667677 5.949171 4.455872 5.578783 6.738320 5.977079 7.358861 8.196740 3.873515 2.507549 4.066859 0.000000 6.426899 6.786925 2.473828 3.831879 6.529903 6.985780 3.371192 2.193982 3.215078 1.087327 2.231190 2.646328 3.232334 4.124648 3.403545 4.299057 5.419206 4.809243 4.431541 4.801101 3.453956 4.767602 6.055527 5.218431 6.743594 7.619087 4.245602 2.684994 4.214610 1.760428 0.000000 8.051159 8.290164 4.685378 5.321778 8.821648 9.147392 3.377291 3.212574 2.206098 2.222013 1.091287 3.227150 2.656884 4.132393 4.284449 3.403839 4.834711 5.416549 4.783221 4.423204 5.443454 6.890911 8.078899 7.516360 8.503062 9.973413 4.252190 4.205307 2.707866 2.965322 2.417558 0.000000 8.301378 8.975216 5.327932 6.077294 9.272440 9.589686 2.855907 3.195566 2.197823 2.212028 1.092933 3.878412 3.425076 2.931205 5.184040 4.484962 3.528952 4.286070 5.940966 5.655154 6.098735 7.440687 8.567152 8.024452 8.966148 10.380383 3.878584 4.067508 2.516376 2.366438 2.975224 1.761823 0.000000 7.399982 8.598761 5.456836 6.048307 8.800612 8.984096 2.163774 2.872482 2.871342 2.687829 2.686473 4.146132 4.147284 1.094978 5.469781 5.456995 2.140226 2.139843 6.521599 6.516517 6.018767 7.115576 8.025156 7.730503 8.307703 9.890009 3.052487 3.279194 3.280877 2.283449 3.746189 3.748656 2.289299 0.000000 7.795102 7.596937 6.180917 5.332136 9.856923 9.724846 4.186540 4.493515 2.962684 4.801585 3.900676 3.423491 2.156039 5.486608 3.911621 1.084596 5.657795 6.681759 3.410334 2.165173 6.254814 7.664472 8.438240 8.737920 8.280621 11.229881 4.167771 5.457478 2.835649 5.801555 5.038810 3.640088 4.666634 5.828108 0.000000 8.549823 9.611448 7.219585 7.205117 10.722905 10.709528 2.800435 4.249144 2.865568 4.380281 3.524235 4.924542 4.261057 2.190779 6.265845 5.183016 1.092985 3.487418 6.922817 6.466916 7.591330 8.814068 9.593906 9.662036 9.567665 11.940879 3.135650 4.936729 2.373174 4.449248 5.419108 4.351959 3.095695 2.489317 5.132153 0.000000 8.603260 10.009944 7.695058 7.812627 10.769719 10.748290 3.484356 4.810830 4.181198 5.044074 4.641974 5.829839 5.521037 2.181159 7.134626 6.606487 1.094021 2.747097 8.003856 7.776999 8.040179 9.068559 9.747267 9.825065 9.731907 11.897773 3.738743 5.162716 3.984784 4.774386 6.129915 5.623344 4.117597 2.493962 6.714671 1.766052 0.000000 7.615271 8.901247 7.298413 6.915619 10.331466 10.127317 2.773010 4.282411 3.521873 4.966394 4.536914 4.958427 4.571736 2.179021 6.148715 5.500868 1.095604 2.804521 6.860677 6.583591 7.415550 8.470496 9.013974 9.427244 8.778090 11.582764 2.536470 4.693314 3.273038 5.041943 6.014330 5.472193 4.393362 3.060365 5.619827 1.768336 1.768342 0.000000 5.687645 7.377367 5.981263 5.728796 8.253109 8.021316 2.769774 3.503595 4.283057 4.520912 4.960427 4.559073 4.953517 2.179117 5.505140 6.140721 2.807593 1.095557 6.588555 6.858634 5.958114 6.674929 7.064680 7.529560 6.908439 9.416903 2.540298 3.248546 4.701322 4.368862 5.440466 6.012851 5.047810 3.060065 6.690787 3.823432 3.130193 2.643987 0.000000 7.047024 8.755950 6.531577 6.843174 8.907841 8.902693 3.483745 4.172935 4.812299 4.634142 5.041633 5.515206 5.829151 2.180822 6.620233 7.125583 2.743925 1.094059 7.787417 8.003375 6.795830 7.513736 8.079210 8.125605 8.177485 9.920321 3.741364 3.971925 5.169644 4.101066 5.603126 6.130840 4.782051 2.495476 7.593702 3.745813 2.512156 3.121054 1.768592 0.000000 5.574416 7.196047 4.845212 5.232645 7.185326 7.212287 2.801692 2.854194 4.245922 3.505229 4.367309 4.254162 4.921771 2.190212 5.201939 6.263006 3.486746 1.092706 6.485795 6.931751 5.070692 5.754878 6.377279 6.370991 6.594356 8.243938 3.148030 2.359530 4.939193 3.067022 4.316035 5.404141 4.444580 2.486037 6.937145 4.344302 3.746350 3.821827 1.767914 1.766435 0.000000 5.048984 3.872003 4.400405 2.631971 6.698406 6.354523 5.602528 4.794932 5.334354 5.569002 5.896890 3.383130 3.850190 7.109305 2.152401 3.408041 7.981260 7.586427 1.084946 2.150365 3.775462 4.705282 5.139620 5.869500 4.916624 8.071491 5.398906 5.071306 6.008971 6.559319 5.238826 5.768535 6.980757 7.527308 4.305288 7.986161 9.022991 7.842519 7.415847 8.677271 7.297908 0.000000 7.026755 6.174025 5.971355 4.572549 8.992923 8.718139 5.599849 5.348721 4.783211 5.909289 5.566679 3.868640 3.377854 7.104924 3.407948 2.157975 7.576278 7.981160 2.142098 1.084206 5.693387 6.890852 7.458323 8.027681 7.176685 10.370527 5.392849 6.031344 5.044582 6.991934 5.792176 5.240310 6.551795 7.523321 2.495951 7.280030 8.666798 7.410578 7.838567 9.021124 7.993740 2.465370 0.000000 2.735284 2.053726 3.156116 1.009767 4.574605 4.087543 5.166338 4.060551 5.572134 5.110193 6.010184 3.260120 4.431892 6.436847 2.074091 4.748011 7.581720 6.422727 2.647851 3.999347 2.046676 2.552491 2.784499 3.898835 2.614876 6.018948 4.953885 3.773497 6.477219 5.822746 4.841137 6.242703 7.007456 6.883981 5.811965 7.909520 8.486357 7.459051 6.211292 7.473819 5.888524 2.498476 4.705218 0.000000 5.249493 5.279290 2.741365 4.196992 2.140403 3.256919 7.096578 5.564787 7.601796 5.604299 7.059692 5.764568 7.061703 7.764409 5.289690 7.839640 9.279007 7.494228 6.292707 7.489642 2.876161 2.228482 3.267208 1.077816 4.720567 2.841406 7.503993 4.940539 8.690208 5.680919 4.896569 7.245008 7.759969 7.626738 8.863855 9.678893 9.864790 9.624272 7.824034 8.218783 6.493678 6.307876 8.310645 4.592215 0.000000 2.010768 2.013702 5.652891 4.387351 3.816938 2.504477 7.839568 6.841991 8.712459 7.993244 9.158926 6.566875 7.818403 8.723421 5.641681 8.255031 9.885228 8.085676 6.214320 7.515848 4.500250 3.516738 2.148057 4.303785 1.089966 4.889437 7.460491 6.081472 9.610309 8.362905 7.803065 9.588665 10.015456 9.257417 9.289794 10.509779 10.586770 9.621956 7.658891 8.936925 7.406574 5.829089 8.099057 3.653820 5.380050 0.000000 5.716095 5.761280 6.181392 6.610238 2.063619 2.464771 9.959204 8.577947 10.769161 9.041185 10.529721 8.731680 10.124915 10.543854 8.004500 10.814497 12.004077 9.842991 8.859112 10.223600 5.683562 4.236315 3.753921 3.353744 4.823104 1.087443 10.065172 7.704702 11.836845 9.055345 8.519103 10.849376 11.233582 10.626645 11.895034 12.616074 12.517342 12.130745 9.881605 10.474057 8.828044 8.560483 10.928635 6.435689 3.853460 4.652436 0.000000 6.068249 6.425992 5.461699 6.465370 2.100079 3.141849 9.268112 7.864396 10.072602 8.090668 9.626842 8.250595 9.624404 9.692895 7.756389 10.465744 11.199501 9.016500 8.781671 10.071298 5.297392 4.059206 4.118169 2.859929 5.437578 1.091447 9.545619 6.995545 11.153465 7.946532 7.562444 9.966865 10.219149 9.620123 11.520892 11.793984 11.630237 11.469370 9.234423 9.558405 7.946823 8.675447 10.880697 6.564219 2.931838 5.563662 1.780431 0.000000 6.397901 6.127971 5.554286 6.386258 2.100509 3.142919 9.817468 8.322839 10.414126 8.520100 9.975961 8.408227 9.746444 10.473154 7.681985 10.389182 11.978773 9.989816 8.483411 9.801359 5.303070 4.058945 4.118029 2.862291 5.450225 1.091444 10.075185 7.588384 11.499436 8.571580 7.826413 10.145342 10.691082 10.415908 11.444153 12.465626 12.533351 12.224557 10.178711 10.659523 8.955984 8.195431 10.483385 6.378517 2.939331 5.569379 1.780364 1.784381 0.000000 C20H23F2N3O 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 0 0 336.23030639999973 AuxInfo=1/0/N:7;8;9;10;11;12;13;14;15;16;17;18;19;20;21;22;23;24;25;26;1;2;4;5;6;3;27;28;29;30;31;32;33;34;35;36;37;38;39;40;41;42;43;44;45;46;47;48;49/rA:49nF0F0O0N0N0N0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:2.3653,.0469,2.5981;3.0852,1.9471,1.7527;.7975,-.3445,-1.7873;.8191,1.1359,-.0467;4.7411,-1.1783,-.8209;4.8151,-.6343,.4072;-3.1543,-.7522,.5399;-1.8115,-.665,-.253;-3.8812,.2552,-.4065;-2.2688,-1.0578,-1.6943;-3.6912,-.426,-1.7995;-1.6189,.8347,-.2633;-2.9008,1.4061,-.3547;-3.7822,-2.1417,.7236;-.4978,1.6518,-.1955;-3.084,2.7788,-.3782;-5.1606,-2.0297,1.3915;-2.8568,-3.0492,1.5476;-.6788,3.045,-.2015;-1.952,3.5992,-.2888;1.378,.1761,-.8439;2.7745,-.2244,-.5161;3.6339,-.0528,.6045;3.5409,-.961,-1.4026;3.4199,.6067,1.9204;5.8777,-1.9039,-1.3714;-3.0314,-.3052,1.5341;-.9695,-1.2395,.1237;-4.9107,.5156,-.1629;-2.3045,-2.1451,-1.7961;-1.5669,-.6791,-2.4333;-3.7698,.3013,-2.6093;-4.4608,-1.1847,-1.9626;-3.9236,-2.6119,-.2551;-4.0765,3.2112,-.444;-5.8571,-1.4417,.7884;-5.6037,-3.0184,1.5426;-5.0776,-1.548,2.3721;-2.6624,-2.6116,2.533;-3.3109,-4.0323,1.703;-1.8939,-3.201,1.054;.1912,3.6902,-.139;-2.0629,4.6777,-.2866;1.424,1.6411,.5846;3.2864,-1.3267,-2.384;4.3088,.5604,2.5494;6.6714,-1.882,-.6284;5.5994,-2.9385,-1.5793;6.2226,-1.4248,-2.2895; 0.3293348 0.1171602 0.1069557 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= 710 RedAO= T EigKep= 1.12D-06 NBF= 710 NBsUse= 706 1.00D-06 EigRej= 5.19D-07 NBFU= 706 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= 727 727 727 727 727 MxSgAt= 49 MxSgA2= 49. 1 Closed 1 1 1 -1215.53076025187 -1215.53076025 1 1.210544898327e+03 -7.635300950415e+03 2.810961439420e+03 Using DIIS extrapolation, IDIIS= 1040. NGot= 4246732800 LenX= 4245623558 LenY= 4245081126 Requested convergence on RMS density matrix=1.00D-08 within 128 cycles. Requested convergence on MAX density matrix=1.00D-06. Requested convergence on energy=1.00D-06. No special actions if energy rises. Fock matrices will be formed incrementally for 20 cycles. 1 Singlet-A 4.4900 276.13 0.1947 0.000 94 96 -0.20093 95 96 0.66517 -1215.36575541 2 Singlet-A 4.5952 269.81 0.0551 0.000 93 96 -0.21507 94 96 0.60700 95 96 0.21620 95 99 -0.15764 3 Singlet-A 4.7886 258.92 0.0109 0.000 92 96 0.16098 93 96 0.62984 94 96 0.20225 95 99 -0.11592 4 Singlet-A 4.9512 250.41 0.0011 0.000 95 97 0.69775 5 Singlet-A 5.1670 239.96 0.0039 0.000 94 96 0.18467 94 97 0.40983 94 100 -0.30806 95 99 0.41177 6 Singlet-A 5.2121 237.88 0.0039 0.000 94 97 0.56862 94 100 0.23777 95 99 -0.29234 7 Singlet-A 5.5388 223.85 0.0095 0.000 94 99 0.34154 95 98 0.35990 95 100 0.46338 8 Singlet-A 5.5874 221.90 0.0008 0.000 94 99 -0.20765 95 98 0.54817 95 100 -0.25954 95 101 -0.25240 9 Singlet-A 5.6798 218.29 0.0066 0.000 90 96 -0.11040 93 97 0.67030 10 Singlet-A 5.7424 215.91 0.0053 0.000 95 98 0.24419 95 100 -0.15946 95 101 0.55940 95 102 0.21880 95 103 -0.17520 PT48062S 2024-10-15T20:18:55.000 -24.70620 -24.70063 -19.09214 -14.42633 -14.36494 -14.34808 -10.35705 -10.28756 -10.23928 -10.23417 -10.23149 -10.21407 -10.20376 -10.17241 -10.17125 -10.17063 -10.17012 -10.16954 -10.16931 -10.16880 -10.16763 -10.16696 -10.15900 -10.15377 -10.15264 -10.15187 -1.26979 -1.21199 -1.08987 -1.04713 -0.94123 -0.88866 -0.88514 -0.83301 -0.82284 -0.78842 -0.77087 -0.75532 -0.73558 -0.71580 -0.70239 -0.69006 -0.67858 -0.65834 -0.62465 -0.61268 -0.61006 -0.59626 -0.57597 -0.57333 -0.56312 -0.55483 -0.54591 -0.53984 -0.52433 -0.51282 -0.51026 -0.50125 -0.49259 -0.47600 -0.46026 -0.45344 -0.44831 -0.44595 -0.44168 -0.43731 -0.43110 -0.43025 -0.42954 -0.42680 -0.41939 -0.41824 -0.41106 -0.39509 -0.39224 -0.38159 -0.37227 -0.36899 -0.36508 -0.35580 -0.35067 -0.34139 -0.33732 -0.33275 -0.32408 -0.32158 -0.31837 -0.31081 -0.29896 -0.29134 -0.28875 -0.27883 -0.26674 -0.23443 -0.22905 -0.04290 -0.02766 -0.00876 -0.00598 -0.00251 0.00478 0.01069 0.01505 0.01880 0.02492 0.02646 0.02868 0.03380 0.03677 0.03834 0.04239 0.04801 0.04896 0.05378 0.05514 0.05789 0.06260 0.06470 0.06711 0.07302 0.07402 0.08027 0.08281 0.08850 0.08923 0.09448 0.09730 0.09773 0.10115 0.10439 0.10687 0.11160 0.11469 0.11744 0.12010 0.12206 0.12402 0.12717 0.12983 0.13431 0.13694 0.13984 0.14191 0.14886 0.15080 0.15342 0.15522 0.15766 0.16130 0.16413 0.16728 0.16972 0.17096 0.17104 0.17556 0.17852 0.18082 0.18212 0.18576 0.18727 0.19074 0.19169 0.19326 0.19421 0.19702 0.20032 0.20236 0.20456 0.20640 0.20863 0.21146 0.21285 0.21598 0.21923 0.22048 0.22285 0.22620 0.22734 0.23130 0.23297 0.23512 0.23601 0.23993 0.24189 0.24438 0.24543 0.24770 0.24893 0.25229 0.25585 0.25762 0.26183 0.26482 0.26768 0.26883 0.27105 0.27410 0.27637 0.27899 0.28369 0.28570 0.28830 0.29117 0.29499 0.29838 0.30150 0.30623 0.30646 0.31000 0.31294 0.31518 0.31940 0.32254 0.32427 0.32819 0.33178 0.33341 0.33792 0.34168 0.34361 0.34948 0.35348 0.35703 0.35992 0.36448 0.36723 0.37175 0.37309 0.37766 0.38172 0.38947 0.39067 0.39275 0.40223 0.40541 0.41086 0.41733 0.41783 0.42104 0.42374 0.43175 0.43692 0.44525 0.44590 0.45527 0.45941 0.46363 0.47324 0.48064 0.48325 0.49448 0.50195 0.50461 0.51289 0.51702 0.52169 0.52402 0.52723 0.53730 0.54003 0.54910 0.55102 0.55829 0.56671 0.56844 0.57243 0.57408 0.58613 0.59077 0.59595 0.59877 0.60301 0.60977 0.61313 0.61876 0.62647 0.62703 0.63832 0.64245 0.64670 0.65004 0.65577 0.66199 0.66582 0.66707 0.66848 0.67286 0.67851 0.68845 0.69456 0.69566 0.69940 0.70304 0.70372 0.70795 0.70977 0.71378 0.71456 0.72166 0.72469 0.72571 0.73240 0.73275 0.73853 0.74002 0.74568 0.75461 0.75763 0.76186 0.77201 0.77279 0.77708 0.78023 0.78954 0.78989 0.79468 0.80011 0.80588 0.81303 0.82140 0.82287 0.82710 0.82927 0.84024 0.84210 0.85166 0.85521 0.85987 0.86654 0.87361 0.88245 0.88917 0.89544 0.89816 0.90226 0.91274 0.91510 0.93662 0.94228 0.95398 0.96061 0.96470 0.97357 0.98547 0.99003 0.99415 1.00115 1.00433 1.01797 1.02006 1.02870 1.03260 1.04925 1.05327 1.06587 1.07361 1.07735 1.08143 1.08496 1.10084 1.10166 1.11271 1.11739 1.14754 1.15191 1.15706 1.17717 1.18304 1.18753 1.20480 1.22056 1.22199 1.23139 1.24848 1.25804 1.26231 1.26863 1.29390 1.29966 1.31266 1.31772 1.32530 1.34253 1.35073 1.35786 1.37028 1.37384 1.38445 1.39959 1.40443 1.41028 1.42877 1.43092 1.43430 1.44400 1.45218 1.46396 1.47063 1.47896 1.48162 1.49312 1.49867 1.50263 1.50721 1.51753 1.52037 1.52295 1.53448 1.53654 1.54577 1.55298 1.55794 1.56318 1.56924 1.57266 1.57439 1.58373 1.58768 1.59124 1.59932 1.60462 1.61040 1.61259 1.61704 1.62726 1.63008 1.63620 1.64213 1.65223 1.65599 1.66513 1.66935 1.68106 1.68315 1.68597 1.70460 1.70714 1.71124 1.72540 1.73134 1.73641 1.73766 1.74379 1.75626 1.76102 1.76543 1.77420 1.78065 1.78468 1.78584 1.79409 1.80139 1.81917 1.82285 1.83089 1.83628 1.84081 1.84717 1.85109 1.85968 1.86573 1.87277 1.88435 1.88620 1.89666 1.91237 1.91632 1.92331 1.93674 1.94385 1.94834 1.94989 1.95800 1.96827 1.97026 1.98481 1.99391 1.99988 2.00455 2.00617 2.01242 2.02717 2.03624 2.04254 2.05181 2.06014 2.07513 2.08437 2.09415 2.10015 2.10875 2.11452 2.12048 2.13053 2.13523 2.14063 2.16348 2.16605 2.17480 2.18118 2.18852 2.20694 2.22335 2.22961 2.24993 2.25917 2.27263 2.28478 2.28842 2.29846 2.30997 2.32249 2.33261 2.33727 2.34731 2.35702 2.37078 2.37956 2.40164 2.41234 2.42086 2.43125 2.43563 2.44323 2.45124 2.45521 2.47082 2.47652 2.48873 2.50063 2.50591 2.51671 2.52005 2.53684 2.54292 2.55586 2.56191 2.58145 2.59461 2.60503 2.60864 2.61683 2.61899 2.62378 2.63862 2.64471 2.64793 2.65767 2.66248 2.68561 2.69064 2.70384 2.70926 2.72026 2.72414 2.73858 2.74189 2.74762 2.74969 2.75438 2.76892 2.77403 2.78214 2.78978 2.79538 2.79817 2.81330 2.82018 2.83103 2.84353 2.85651 2.86820 2.87583 2.88333 2.89924 2.90724 2.91134 2.91709 2.92766 2.93349 2.94240 2.95472 2.96225 2.97581 2.97980 2.99713 3.00565 3.01214 3.02487 3.03682 3.04162 3.04851 3.06707 3.06936 3.07521 3.07963 3.10325 3.14250 3.15257 3.16265 3.17584 3.18423 3.21708 3.22440 3.24298 3.27636 3.29315 3.29986 3.33479 3.36192 3.38884 3.39828 3.41064 3.41704 3.44066 3.46309 3.49753 3.50800 3.56409 3.58308 3.60339 3.63323 3.64865 3.68094 3.68602 3.68801 3.70251 3.73997 3.76841 3.77584 3.79239 3.80382 3.81079 3.82525 3.83021 3.84482 3.84561 3.84661 3.85629 3.89290 3.93815 3.97691 3.98297 3.98854 3.99461 4.01195 4.04045 4.05375 4.06436 4.07688 4.11126 4.13302 4.13675 4.18144 4.20783 4.25900 4.29033 4.30812 4.33555 4.36648 4.37590 4.39239 4.44214 4.58877 4.76435 4.87316 4.87747 4.90979 4.97785 5.12103 5.14890 5.33925 5.43224 5.84440 6.35384 6.39177 6.41302 6.46479 6.56854 6.66975 23.62288 23.66047 23.75107 23.84875 23.86623 23.89606 23.89790 23.90637 23.94729 23.95911 23.96983 23.98408 23.99599 23.99951 24.02635 24.10221 24.11154 24.11411 24.14789 24.21522 35.48846 35.56322 35.66725 50.06436 66.75977 66.82790 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 48 49 F F O N N N 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 -0.079305 -0.110195 -0.273175 0.095586 0.095724 -0.111046 -0.340754 0.194570 0.617660 -0.420299 -0.530836 -0.160017 -0.328591 0.154688 -0.042330 0.048596 -0.552760 -0.546041 -0.035772 -0.173617 -0.720481 1.036240 -0.960743 0.031593 -0.031123 -0.290449 0.133391 0.130728 0.117971 0.134913 0.177976 0.140859 0.141069 0.128285 0.108966 0.133073 0.136648 0.139642 0.141439 0.136581 0.137266 0.112022 0.123278 0.279664 0.148397 0.197980 0.189609 0.172082 0.171039 -0.00000 3.5619 -1.6693 -0.9920 4.0568 -124.4489 -148.3281 -158.3003 -10.0019 -9.9768 3.9752 19.2436 -4.6357 -14.6079 -10.0019 -9.9768 3.9752 194.2814 10.1695 23.4462 32.2930 -58.0583 -57.1579 53.0714 -9.3091 -6.3400 24.8615 -9242.2821 -2731.1395 -1541.2236 -391.1452 -232.1081 -66.3977 46.2519 39.8020 62.7010 -2014.5425 -1812.5324 -765.1064 148.1864 -26.3172 -13.0967 (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A) (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(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-HAMILTON09 APULGAR 2024-10-15T00:00:00.000 0 Electronic spectrum isopyrazam_anti CONF12 gas 0 1 Version=EM64L-G16RevC.01 State=1-A HF=-1215.5307603 RMSD=5.121e-09 PG=C01 [X(C20H23F2N3O1)] 0 2.3656441277 0.0486564257 2.5984154042 0 3.0850693253 1.9487091179 1.7522078229 0 0.7978992949 -0.3449703851 -1.786879086 0 0.8191433764 1.1361599336 -0.0468396975 0 4.7416685954 -1.1773356779 -0.8202163371 0 4.8156074623 -0.6327678647 0.4077228155 0 -3.1537705048 -0.7527651008 0.5405578423 0 -1.8109757977 -0.6655058921 -0.252421908 0 -3.8809727142 0.2540836814 -0.4062219888 0 -2.2682415625 -1.0590023797 -1.693460488 0 -3.6907869227 -0.4276287155 -1.7989693774 0 -1.6187595553 0.8342438332 -0.2633119626 0 -2.900858398 1.4052881576 -0.3548713065 0 -3.7812826389 -2.1422763748 0.724881349 0 -0.4978652518 1.6516740625 -0.1958014536 0 -3.0844105419 2.7778882937 -0.3789038699 0 -5.1597041465 -2.0303536238 1.3927649593 0 -2.8556787882 -3.0492027693 1.5492123004 0 -0.6793214402 3.0448376476 -0.2024042637 0 -1.9526407685 3.5986279896 -0.2899314579 0 1.378219271 0.1762012269 -0.8437066737 0 2.7748304739 -0.2238323366 -0.5157399363 0 3.6342804374 -0.0515879854 0.6047778411 0 3.5414760075 -0.9605713512 -1.4019551763 0 3.4200629914 0.6084727768 1.9204004906 0 5.8785059712 -1.9028302585 -1.3703969177 0 -3.0310028654 -0.3053401477 1.5346317356 0 -0.9688848328 -1.2396294388 0.1245278165 0 -4.9105278977 0.514368316 -0.1627170986 0 -2.3036114631 -2.1463286208 -1.7948998562 0 -1.5664708476 -0.6803957422 -2.4326862892 0 -3.7695590918 0.2993431272 -2.6090399093 0 -4.4602408113 -1.1865559088 -1.9616740394 0 -3.9225639178 -2.6129004641 -0.2536530661 0 -4.0770123373 3.2100224367 -0.4448643933 0 -5.8564149144 -1.4428627801 0.7893863708 0 -5.602606878 -3.0191863078 1.5441877096 0 -5.0768914913 -1.5482974998 2.3731286836 0 -2.6613305407 -2.611181398 2.5344078048 0 -3.3094896911 -4.0324318884 1.7050377364 0 -1.8927044558 -3.201011281 1.0556126172 0 0.1905453721 3.6902589468 -0.1401826715 0 -2.0638428899 4.6771151671 -0.2881573477 0 1.4239391523 1.6417530021 0.5842121391 0 3.2870028296 -1.3267188194 -2.3832123902 0 4.3090130126 0.562568582 2.5494364988 0 6.6722167727 -1.8804177653 -0.627393533 0 5.6004426732 -2.9376632511 -1.5779016761 0 6.2231998106 -1.4240546958 -2.2886617662 Gaussian 16 15-Oct-2024 Gaussian 16 3-Jul-2019 EM64L-G16RevC.01 141 C1[X(C20H23F2N3O)] RB3LYP 6-311+G(3df,2p) SP #P B3LYP 6-311+G(3df,2p) EmpiricalDispersion=gd3 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 0 0 336.23030639999973 AuxInfo=1/0/N:7;8;9;10;11;12;13;14;15;16;17;18;19;20;21;22;23;24;25;26;1;2;4;5;6;3;27;28;29;30;31;32;33;34;35;36;37;38;39;40;41;42;43;44;45;46;47;48;49/rA:49nF0F0O0N0N0N0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:2.3656,.0487,2.5984;3.0851,1.9487,1.7522;.7979,-.345,-1.7869;.8191,1.1362,-.0468;4.7417,-1.1773,-.8202;4.8156,-.6328,.4077;-3.1538,-.7528,.5406;-1.811,-.6655,-.2524;-3.881,.2541,-.4062;-2.2682,-1.059,-1.6935;-3.6908,-.4276,-1.799;-1.6188,.8342,-.2633;-2.9009,1.4053,-.3549;-3.7813,-2.1423,.7249;-.4979,1.6517,-.1958;-3.0844,2.7779,-.3789;-5.1597,-2.0304,1.3928;-2.8557,-3.0492,1.5492;-.6793,3.0448,-.2024;-1.9526,3.5986,-.2899;1.3782,.1762,-.8437;2.7748,-.2238,-.5157;3.6343,-.0516,.6048;3.5415,-.9606,-1.402;3.4201,.6085,1.9204;5.8785,-1.9028,-1.3704;-3.031,-.3053,1.5346;-.9689,-1.2396,.1245;-4.9105,.5144,-.1627;-2.3036,-2.1463,-1.7949;-1.5665,-.6804,-2.4327;-3.7696,.2993,-2.609;-4.4602,-1.1866,-1.9617;-3.9226,-2.6129,-.2537;-4.077,3.21,-.4449;-5.8564,-1.4429,.7894;-5.6026,-3.0192,1.5442;-5.0769,-1.5483,2.3731;-2.6613,-2.6112,2.5344;-3.3095,-4.0324,1.705;-1.8927,-3.201,1.0556;.1905,3.6903,-.1402;-2.0638,4.6771,-.2882;1.4239,1.6418,.5842;3.287,-1.3267,-2.3832;4.309,.5626,2.5494;6.6722,-1.8804,-.6274;5.6004,-2.9377,-1.5779;6.2232,-1.4241,-2.2887; oldchk=opt-b3lyp-pople.chk #P B3LYP 6-311+G(3df,2p) EmpiricalDispersion=gd3 geom=check guess=read 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=1,74=-5,116=-2,124=31/1,2,3 4/5=1/1 5/5=2,38=6/2 6/7=2,8=2,9=2,10=2,28=1/1 99/5=1,9=1/99 Single Point isopyrazam_anti CONF12 gas 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 48 49 19 19 16 14 14 14 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 18.9984033 18.9984033 15.9949146 14.0030740 14.0030740 14.0030740 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 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 1 0 2 2 2 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 6.7500000 6.7500000 5.6000000 4.5500000 4.5500000 4.5500000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 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 (Enter /usr/local/gaussian/gaussian16/g16/l101.exe) 6-311+G(3df,2p) (5D, 7F) 0.10000e-02 0.10000e-05 F 1377 A 1221 A 1221 1761 1377 95 95 2398.3178926791 49 49 49 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 -0.0540402631 0.000000 2.200873 0.000000 4.673711 4.797629 0.000000 3.251416 3.005200 2.285155 0.000000 4.339999 4.374225 4.144947 4.619153 0.000000 3.356455 3.386211 4.587056 4.394025 1.345309 0.000000 5.944829 6.905735 4.604232 4.438144 8.023087 7.971388 0.000000 5.107001 5.901179 3.043605 3.194650 6.597083 6.659465 1.561899 0.000000 6.934715 7.487077 4.914969 4.795655 8.750445 8.779494 1.561717 2.270283 0.000000 6.412488 7.041086 3.149570 4.130623 7.065083 7.401187 2.422557 1.562218 2.445829 0.000000 7.499613 8.010622 4.489464 5.084768 8.522108 8.790354 2.422290 2.445830 1.562257 1.559936 0.000000 4.968109 5.237400 3.090638 2.466046 6.694150 6.633513 2.349694 1.512057 2.339790 2.459986 2.871213 0.000000 6.188570 6.369177 4.335304 3.742423 8.080514 8.017423 2.350096 2.342334 1.512790 2.874848 2.463532 1.406504 0.000000 6.789332 8.058434 5.523419 5.701545 8.715454 8.734170 1.535737 2.649166 2.651768 3.051418 3.052545 3.809554 3.811329 0.000000 4.310104 4.089057 2.863062 1.422131 5.987145 5.815145 3.657511 2.663980 3.666463 3.567209 4.133811 1.388940 2.420823 5.101230 0.000000 6.783527 6.579640 5.177545 4.247737 8.779867 8.640697 3.649073 3.673499 2.646667 4.137139 3.558036 2.437057 1.385027 5.090382 2.827031 0.000000 7.899794 9.161792 6.960150 6.917072 10.181459 10.120790 2.526313 3.972837 3.176502 4.339224 3.861815 4.846318 4.467690 1.535787 6.149277 5.528548 0.000000 6.161150 7.766133 5.638352 5.793873 8.175437 8.123471 2.525840 3.165328 3.973242 3.849793 4.333633 4.460535 4.844591 1.535832 5.540993 6.142063 2.524096 0.000000 5.108181 4.380941 4.022877 2.431594 6.898954 6.640127 4.593112 3.879406 4.252108 4.646442 4.865796 2.402702 2.765248 6.114587 1.404947 2.426287 6.955283 6.703881 0.000000 6.292252 5.680765 5.035702 3.715593 8.240437 8.012529 4.589885 4.266651 3.862378 4.874733 4.637789 2.784601 2.390413 6.109972 2.432254 1.400869 6.693441 6.956406 1.391290 0.000000 3.583222 3.576855 1.223914 1.367144 3.625659 3.746484 4.828882 3.350978 5.277931 3.942650 5.193454 3.122781 4.478853 5.869946 2.473155 5.186510 7.253629 5.835682 3.588010 4.807733 0.000000 3.152721 3.155911 2.353450 2.427789 2.206882 2.277012 6.045150 4.614546 6.673838 5.245675 6.594878 4.526243 5.907060 6.942780 3.785554 6.584813 8.358394 6.629433 4.765873 6.083681 1.489333 0.000000 2.365180 2.370531 3.721714 3.124155 2.127023 1.331215 6.824471 5.546395 7.589110 6.413778 7.718550 5.397472 6.763982 7.705581 4.540557 7.356247 9.048238 7.210910 5.370899 6.733370 2.690689 1.422632 0.000000 4.289998 4.315202 2.838018 3.693740 1.351247 2.237365 6.974444 5.482448 7.586805 5.817859 7.262732 5.580851 6.942431 7.716389 4.959326 7.676268 9.201382 7.348154 5.941158 7.225525 2.506706 1.384163 2.204958 0.000000 1.372916 1.391669 4.639905 3.303524 3.527993 2.403418 6.853628 5.805854 7.670977 6.942426 8.091440 5.496299 6.765044 7.800979 4.573482 7.231967 8.991897 7.273328 5.219878 6.533953 3.463564 2.654023 1.487425 3.676233 0.000000 5.648006 5.691072 5.330380 6.048505 1.456516 2.429922 9.303570 7.868225 10.041381 8.196701 9.691814 8.057680 9.436746 9.887317 7.394071 10.160022 11.379517 9.280316 8.297513 9.631215 4.985214 3.630740 3.516385 2.520031 4.814554 0.000000 5.511873 6.521841 5.068974 4.404838 8.168238 7.933878 1.097016 2.193569 2.191419 3.401528 3.400466 2.554542 2.552138 2.143117 3.638831 3.629155 2.743568 2.749497 4.446503 4.442169 5.032854 6.157789 6.734614 7.228440 6.526877 9.506341 0.000000 4.347285 5.408270 2.752348 2.978387 5.788510 5.823129 2.276805 1.086658 3.315589 2.241882 3.430443 2.207647 3.310277 3.014096 2.946881 4.568297 4.449341 2.977293 4.306668 4.954623 2.907052 3.931563 4.778202 4.769841 5.089548 7.039986 2.667137 0.000000 7.796372 8.345888 5.996875 5.764476 9.821358 9.810149 2.277371 3.317736 1.089508 3.435163 2.247765 3.308803 2.206679 3.020064 4.556989 2.916327 2.992862 4.455575 4.930310 4.275270 6.334544 7.728797 8.597855 8.668767 8.587606 11.122257 2.661866 4.323837 0.000000 6.776513 7.641282 3.586687 4.856135 7.178087 7.604321 2.849413 2.194257 3.190372 1.092620 2.208665 3.420321 3.878707 2.921100 4.499184 5.182915 4.281579 3.507570 5.667677 5.949171 4.455872 5.578783 6.738320 5.977079 7.358861 8.196740 3.873515 2.507549 4.066859 0.000000 6.426899 6.786925 2.473828 3.831879 6.529903 6.985780 3.371192 2.193982 3.215078 1.087327 2.231190 2.646328 3.232334 4.124648 3.403545 4.299057 5.419206 4.809243 4.431541 4.801101 3.453956 4.767602 6.055527 5.218431 6.743594 7.619087 4.245602 2.684994 4.214610 1.760428 0.000000 8.051159 8.290164 4.685378 5.321778 8.821648 9.147392 3.377291 3.212574 2.206098 2.222013 1.091287 3.227150 2.656884 4.132393 4.284449 3.403839 4.834711 5.416549 4.783221 4.423204 5.443454 6.890911 8.078899 7.516360 8.503062 9.973413 4.252190 4.205307 2.707866 2.965322 2.417558 0.000000 8.301378 8.975216 5.327932 6.077294 9.272440 9.589686 2.855907 3.195566 2.197823 2.212028 1.092933 3.878412 3.425076 2.931205 5.184040 4.484962 3.528952 4.286070 5.940966 5.655154 6.098735 7.440687 8.567152 8.024452 8.966148 10.380383 3.878584 4.067508 2.516376 2.366438 2.975224 1.761823 0.000000 7.399982 8.598761 5.456836 6.048307 8.800612 8.984096 2.163774 2.872482 2.871342 2.687829 2.686473 4.146132 4.147284 1.094978 5.469781 5.456995 2.140226 2.139843 6.521599 6.516517 6.018767 7.115576 8.025156 7.730503 8.307703 9.890009 3.052487 3.279194 3.280877 2.283449 3.746189 3.748656 2.289299 0.000000 7.795102 7.596937 6.180917 5.332136 9.856923 9.724846 4.186540 4.493515 2.962684 4.801585 3.900676 3.423491 2.156039 5.486608 3.911621 1.084596 5.657795 6.681759 3.410334 2.165173 6.254814 7.664472 8.438240 8.737920 8.280621 11.229881 4.167771 5.457478 2.835649 5.801555 5.038810 3.640088 4.666634 5.828108 0.000000 8.549823 9.611448 7.219585 7.205117 10.722905 10.709528 2.800435 4.249144 2.865568 4.380281 3.524235 4.924542 4.261057 2.190779 6.265845 5.183016 1.092985 3.487418 6.922817 6.466916 7.591330 8.814068 9.593906 9.662036 9.567665 11.940879 3.135650 4.936729 2.373174 4.449248 5.419108 4.351959 3.095695 2.489317 5.132153 0.000000 8.603260 10.009944 7.695058 7.812627 10.769719 10.748290 3.484356 4.810830 4.181198 5.044074 4.641974 5.829839 5.521037 2.181159 7.134626 6.606487 1.094021 2.747097 8.003856 7.776999 8.040179 9.068559 9.747267 9.825065 9.731907 11.897773 3.738743 5.162716 3.984784 4.774386 6.129915 5.623344 4.117597 2.493962 6.714671 1.766052 0.000000 7.615271 8.901247 7.298413 6.915619 10.331466 10.127317 2.773010 4.282411 3.521873 4.966394 4.536914 4.958427 4.571736 2.179021 6.148715 5.500868 1.095604 2.804521 6.860677 6.583591 7.415550 8.470496 9.013974 9.427244 8.778090 11.582764 2.536470 4.693314 3.273038 5.041943 6.014330 5.472193 4.393362 3.060365 5.619827 1.768336 1.768342 0.000000 5.687645 7.377367 5.981263 5.728796 8.253109 8.021316 2.769774 3.503595 4.283057 4.520912 4.960427 4.559073 4.953517 2.179117 5.505140 6.140721 2.807593 1.095557 6.588555 6.858634 5.958114 6.674929 7.064680 7.529560 6.908439 9.416903 2.540298 3.248546 4.701322 4.368862 5.440466 6.012851 5.047810 3.060065 6.690787 3.823432 3.130193 2.643987 0.000000 7.047024 8.755950 6.531577 6.843174 8.907841 8.902693 3.483745 4.172935 4.812299 4.634142 5.041633 5.515206 5.829151 2.180822 6.620233 7.125583 2.743925 1.094059 7.787417 8.003375 6.795830 7.513736 8.079210 8.125605 8.177485 9.920321 3.741364 3.971925 5.169644 4.101066 5.603126 6.130840 4.782051 2.495476 7.593702 3.745813 2.512156 3.121054 1.768592 0.000000 5.574416 7.196047 4.845212 5.232645 7.185326 7.212287 2.801692 2.854194 4.245922 3.505229 4.367309 4.254162 4.921771 2.190212 5.201939 6.263006 3.486746 1.092706 6.485795 6.931751 5.070692 5.754878 6.377279 6.370991 6.594356 8.243938 3.148030 2.359530 4.939193 3.067022 4.316035 5.404141 4.444580 2.486037 6.937145 4.344302 3.746350 3.821827 1.767914 1.766435 0.000000 5.048984 3.872003 4.400405 2.631971 6.698406 6.354523 5.602528 4.794932 5.334354 5.569002 5.896890 3.383130 3.850190 7.109305 2.152401 3.408041 7.981260 7.586427 1.084946 2.150365 3.775462 4.705282 5.139620 5.869500 4.916624 8.071491 5.398906 5.071306 6.008971 6.559319 5.238826 5.768535 6.980757 7.527308 4.305288 7.986161 9.022991 7.842519 7.415847 8.677271 7.297908 0.000000 7.026755 6.174025 5.971355 4.572549 8.992923 8.718139 5.599849 5.348721 4.783211 5.909289 5.566679 3.868640 3.377854 7.104924 3.407948 2.157975 7.576278 7.981160 2.142098 1.084206 5.693387 6.890852 7.458323 8.027681 7.176685 10.370527 5.392849 6.031344 5.044582 6.991934 5.792176 5.240310 6.551795 7.523321 2.495951 7.280030 8.666798 7.410578 7.838567 9.021124 7.993740 2.465370 0.000000 2.735284 2.053726 3.156116 1.009767 4.574605 4.087543 5.166338 4.060551 5.572134 5.110193 6.010184 3.260120 4.431892 6.436847 2.074091 4.748011 7.581720 6.422727 2.647851 3.999347 2.046676 2.552491 2.784499 3.898835 2.614876 6.018948 4.953885 3.773497 6.477219 5.822746 4.841137 6.242703 7.007456 6.883981 5.811965 7.909520 8.486357 7.459051 6.211292 7.473819 5.888524 2.498476 4.705218 0.000000 5.249493 5.279290 2.741365 4.196992 2.140403 3.256919 7.096578 5.564787 7.601796 5.604299 7.059692 5.764568 7.061703 7.764409 5.289690 7.839640 9.279007 7.494228 6.292707 7.489642 2.876161 2.228482 3.267208 1.077816 4.720567 2.841406 7.503993 4.940539 8.690208 5.680919 4.896569 7.245008 7.759969 7.626738 8.863855 9.678893 9.864790 9.624272 7.824034 8.218783 6.493678 6.307876 8.310645 4.592215 0.000000 2.010768 2.013702 5.652891 4.387351 3.816938 2.504477 7.839568 6.841991 8.712459 7.993244 9.158926 6.566875 7.818403 8.723421 5.641681 8.255031 9.885228 8.085676 6.214320 7.515848 4.500250 3.516738 2.148057 4.303785 1.089966 4.889437 7.460491 6.081472 9.610309 8.362905 7.803065 9.588665 10.015456 9.257417 9.289794 10.509779 10.586770 9.621956 7.658891 8.936925 7.406574 5.829089 8.099057 3.653820 5.380050 0.000000 5.716095 5.761280 6.181392 6.610238 2.063619 2.464771 9.959204 8.577947 10.769161 9.041185 10.529721 8.731680 10.124915 10.543854 8.004500 10.814497 12.004077 9.842991 8.859112 10.223600 5.683562 4.236315 3.753921 3.353744 4.823104 1.087443 10.065172 7.704702 11.836845 9.055345 8.519103 10.849376 11.233582 10.626645 11.895034 12.616074 12.517342 12.130745 9.881605 10.474057 8.828044 8.560483 10.928635 6.435689 3.853460 4.652436 0.000000 6.068249 6.425992 5.461699 6.465370 2.100079 3.141849 9.268112 7.864396 10.072602 8.090668 9.626842 8.250595 9.624404 9.692895 7.756389 10.465744 11.199501 9.016500 8.781671 10.071298 5.297392 4.059206 4.118169 2.859929 5.437578 1.091447 9.545619 6.995545 11.153465 7.946532 7.562444 9.966865 10.219149 9.620123 11.520892 11.793984 11.630237 11.469370 9.234423 9.558405 7.946823 8.675447 10.880697 6.564219 2.931838 5.563662 1.780431 0.000000 6.397901 6.127971 5.554286 6.386258 2.100509 3.142919 9.817468 8.322839 10.414126 8.520100 9.975961 8.408227 9.746444 10.473154 7.681985 10.389182 11.978773 9.989816 8.483411 9.801359 5.303070 4.058945 4.118029 2.862291 5.450225 1.091444 10.075185 7.588384 11.499436 8.571580 7.826413 10.145342 10.691082 10.415908 11.444153 12.465626 12.533351 12.224557 10.178711 10.659523 8.955984 8.195431 10.483385 6.378517 2.939331 5.569379 1.780364 1.784381 0.000000 C20H23F2N3O 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 0 0 336.23030639999973 AuxInfo=1/0/N:7;8;9;10;11;12;13;14;15;16;17;18;19;20;21;22;23;24;25;26;1;2;4;5;6;3;27;28;29;30;31;32;33;34;35;36;37;38;39;40;41;42;43;44;45;46;47;48;49/rA:49nF0F0O0N0N0N0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:2.3653,.0469,2.5981;3.0852,1.9471,1.7527;.7975,-.3445,-1.7873;.8191,1.1359,-.0467;4.7411,-1.1783,-.8209;4.8151,-.6343,.4072;-3.1543,-.7522,.5399;-1.8115,-.665,-.253;-3.8812,.2552,-.4065;-2.2688,-1.0578,-1.6943;-3.6912,-.426,-1.7995;-1.6189,.8347,-.2633;-2.9008,1.4061,-.3547;-3.7822,-2.1417,.7236;-.4978,1.6518,-.1955;-3.084,2.7788,-.3782;-5.1606,-2.0297,1.3915;-2.8568,-3.0492,1.5476;-.6788,3.045,-.2015;-1.952,3.5992,-.2888;1.378,.1761,-.8439;2.7745,-.2244,-.5161;3.6339,-.0528,.6045;3.5409,-.961,-1.4026;3.4199,.6067,1.9204;5.8777,-1.9039,-1.3714;-3.0314,-.3052,1.5341;-.9695,-1.2395,.1237;-4.9107,.5156,-.1629;-2.3045,-2.1451,-1.7961;-1.5669,-.6791,-2.4333;-3.7698,.3013,-2.6093;-4.4608,-1.1847,-1.9626;-3.9236,-2.6119,-.2551;-4.0765,3.2112,-.444;-5.8571,-1.4417,.7884;-5.6037,-3.0184,1.5426;-5.0776,-1.548,2.3721;-2.6624,-2.6116,2.533;-3.3109,-4.0323,1.703;-1.8939,-3.201,1.054;.1912,3.6902,-.139;-2.0629,4.6777,-.2866;1.424,1.6411,.5846;3.2864,-1.3267,-2.384;4.3088,.5604,2.5494;6.6714,-1.882,-.6284;5.5994,-2.9385,-1.5793;6.2226,-1.4248,-2.2895; 0.3293348 0.1171602 0.1069557 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= 1221 RedAO= T EigKep= 1.33D-06 NBF= 1221 NBsUse= 1214 1.00D-06 EigRej= 9.45D-07 NBFU= 1214 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= 1347 1347 1347 1347 1347 MxSgAt= 49 MxSgA2= 49. 1 Closed 1 1 1 -1215.53679419869 -1215.60929354550 -0.072499346806 -1215.60927392961 0.000019615887 -1215.60966220640 -0.000388276790 -1215.60971099950 -0.000048793099 -1215.60971782846 -0.000006828963 -1215.60971885297 -0.000001024503 -1215.60971890694 -0.000000053969 -1215.60971892294 -0.000000016003 -1215.60971892352 -0.000000000585 -1215.60971892331 0.000000000211 -1215.60971892365 -0.000000000341 -1215.60971892 12 1.210183793256e+03 -7.635371592127e+03 2.811314227532e+03 Using DIIS extrapolation, IDIIS= 1040. NGot= 4246732800 LenX= 4242894850 LenY= 4240997344 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. PT49588.600S 2024-10-15T21:36:35.000 -24.70533 -24.69998 -19.09076 -14.42429 -14.36294 -14.34641 -10.35340 -10.28428 -10.23654 -10.23133 -10.22864 -10.21247 -10.20126 -10.17127 -10.16985 -10.16931 -10.16904 -10.16851 -10.16827 -10.16802 -10.16631 -10.16621 -10.15830 -10.15274 -10.15166 -10.15129 -1.26573 -1.20899 -1.08527 -1.04320 -0.93877 -0.88689 -0.88182 -0.83119 -0.81971 -0.78768 -0.76807 -0.75347 -0.73450 -0.71366 -0.70091 -0.68926 -0.67818 -0.65585 -0.62264 -0.61033 -0.60812 -0.59470 -0.57364 -0.57182 -0.56123 -0.55252 -0.54499 -0.53931 -0.52238 -0.51077 -0.50869 -0.49989 -0.49084 -0.47451 -0.45959 -0.45202 -0.44678 -0.44529 -0.44024 -0.43622 -0.43013 -0.42888 -0.42848 -0.42604 -0.41882 -0.41679 -0.40994 -0.39456 -0.39139 -0.38152 -0.37035 -0.36844 -0.36457 -0.35547 -0.35029 -0.34092 -0.33600 -0.33253 -0.32367 -0.32111 -0.31802 -0.31047 -0.29868 -0.29027 -0.28778 -0.27765 -0.26577 -0.23436 -0.22888 -0.04220 -0.02645 -0.00928 -0.00646 -0.00289 0.00359 0.00978 0.01389 0.01802 0.02350 0.02535 0.02785 0.03259 0.03557 0.03719 0.04141 0.04654 0.04784 0.05266 0.05355 0.05676 0.06187 0.06365 0.06574 0.07141 0.07258 0.07857 0.08128 0.08674 0.08763 0.09333 0.09587 0.09601 0.09862 0.10254 0.10505 0.11059 0.11296 0.11511 0.11827 0.12060 0.12233 0.12501 0.12895 0.13195 0.13525 0.13787 0.14089 0.14561 0.14808 0.15124 0.15252 0.15450 0.15869 0.16145 0.16396 0.16593 0.16625 0.16834 0.17065 0.17405 0.17775 0.17826 0.18139 0.18360 0.18729 0.18740 0.18929 0.18979 0.19331 0.19383 0.19644 0.19929 0.20252 0.20423 0.20735 0.20796 0.21155 0.21400 0.21530 0.21758 0.22180 0.22249 0.22728 0.22779 0.22964 0.23240 0.23327 0.23479 0.23732 0.23924 0.24246 0.24472 0.24630 0.24895 0.25194 0.25414 0.25785 0.26007 0.26107 0.26254 0.26453 0.26903 0.27365 0.27532 0.28042 0.28220 0.28409 0.28707 0.28994 0.29137 0.29550 0.29612 0.30019 0.30218 0.30481 0.30758 0.31233 0.31332 0.31665 0.31793 0.31929 0.32340 0.32710 0.33038 0.33277 0.33401 0.33981 0.34153 0.34219 0.34871 0.35260 0.35467 0.35659 0.36021 0.36204 0.36575 0.37324 0.37816 0.37919 0.38368 0.38545 0.38820 0.39333 0.39389 0.39800 0.39903 0.40225 0.41059 0.41257 0.41414 0.41965 0.42422 0.42786 0.43007 0.43346 0.43511 0.43774 0.44064 0.44631 0.44939 0.45294 0.45755 0.45842 0.46152 0.46460 0.46887 0.47158 0.47921 0.48292 0.48571 0.49255 0.49312 0.49607 0.50115 0.50338 0.50866 0.51179 0.51513 0.51893 0.52428 0.52572 0.52871 0.53266 0.53667 0.54240 0.54446 0.54924 0.55111 0.55357 0.55765 0.56121 0.56380 0.56553 0.57184 0.57227 0.57591 0.57898 0.58448 0.58675 0.59035 0.59280 0.59671 0.60232 0.60401 0.60553 0.60822 0.61166 0.61542 0.61910 0.62379 0.62558 0.62809 0.63315 0.63545 0.63832 0.64049 0.64243 0.64505 0.65146 0.65462 0.65716 0.66025 0.66196 0.66595 0.66675 0.66988 0.67117 0.67444 0.67788 0.68155 0.68355 0.68918 0.69206 0.69362 0.69514 0.69877 0.70050 0.70440 0.70833 0.71173 0.71596 0.71929 0.72513 0.72819 0.73619 0.73670 0.74361 0.74759 0.75044 0.75325 0.75514 0.75882 0.76508 0.76701 0.76833 0.77219 0.77440 0.77808 0.78460 0.78565 0.78762 0.79323 0.79876 0.80554 0.81011 0.81366 0.81895 0.82282 0.82606 0.83076 0.83368 0.83900 0.84624 0.84918 0.85336 0.85680 0.86476 0.87055 0.87373 0.88017 0.88387 0.88614 0.88929 0.89429 0.89810 0.90998 0.91136 0.91552 0.92082 0.92622 0.93373 0.94150 0.94343 0.94907 0.95461 0.96009 0.96276 0.97299 0.97850 0.98176 0.98555 0.99289 0.99900 1.00526 1.01047 1.01752 1.02082 1.02603 1.03659 1.04193 1.04505 1.05175 1.05677 1.06310 1.06875 1.07131 1.07730 1.07901 1.08133 1.08358 1.08540 1.09252 1.09672 1.09993 1.10549 1.10728 1.11307 1.11668 1.12469 1.12757 1.12936 1.13159 1.14011 1.14350 1.14742 1.15155 1.16249 1.16488 1.17153 1.17611 1.18014 1.18393 1.18817 1.19053 1.19608 1.19963 1.20218 1.20545 1.21096 1.21238 1.21934 1.22039 1.22380 1.22695 1.23236 1.23905 1.24186 1.24440 1.24573 1.25492 1.25696 1.26088 1.26332 1.26942 1.27062 1.27574 1.28189 1.28747 1.28971 1.29912 1.30101 1.30446 1.30743 1.31528 1.31788 1.31902 1.32401 1.32661 1.32991 1.33713 1.33922 1.34525 1.34787 1.34963 1.35399 1.36024 1.36235 1.36595 1.37313 1.37495 1.37722 1.38704 1.39098 1.39584 1.39900 1.40571 1.41019 1.41647 1.42095 1.42165 1.42459 1.42905 1.43070 1.43367 1.43745 1.44101 1.44325 1.45231 1.45489 1.46034 1.46145 1.46470 1.47114 1.47310 1.47787 1.48226 1.48546 1.48719 1.49324 1.49546 1.50064 1.50563 1.50859 1.51684 1.51917 1.52327 1.52441 1.53055 1.53292 1.53605 1.54877 1.55058 1.55717 1.55944 1.56502 1.56984 1.57240 1.57536 1.57987 1.58766 1.59191 1.59871 1.60118 1.60705 1.61462 1.63094 1.63164 1.63691 1.64388 1.64622 1.64927 1.66014 1.66597 1.66892 1.67122 1.68630 1.69218 1.69849 1.70264 1.70519 1.71197 1.71685 1.72405 1.73180 1.73292 1.74322 1.75317 1.75735 1.76343 1.76691 1.77357 1.77716 1.78686 1.79396 1.79742 1.80066 1.80782 1.81525 1.82341 1.82695 1.83243 1.84641 1.85862 1.86579 1.86723 1.87272 1.88771 1.88893 1.89849 1.90446 1.90984 1.92596 1.92911 1.93745 1.93961 1.94938 1.95890 1.96274 1.96969 1.97715 1.98271 1.99030 1.99928 2.00742 2.00972 2.01837 2.02442 2.03130 2.04145 2.04883 2.05437 2.05764 2.06987 2.07384 2.07425 2.07899 2.08542 2.09608 2.09869 2.10857 2.10993 2.11698 2.12353 2.13011 2.13487 2.14519 2.15113 2.15735 2.16349 2.17276 2.17516 2.19049 2.19666 2.20501 2.21538 2.21725 2.23030 2.24249 2.25158 2.25942 2.26460 2.27581 2.28157 2.28958 2.29980 2.32093 2.32565 2.32700 2.33251 2.33942 2.35027 2.35295 2.36005 2.37345 2.39243 2.39497 2.41874 2.42729 2.42897 2.43677 2.44993 2.45713 2.46620 2.47049 2.48816 2.50723 2.51310 2.53301 2.53659 2.54095 2.54581 2.55124 2.56204 2.56661 2.57213 2.57887 2.59170 2.61705 2.62639 2.64407 2.66750 2.67568 2.68244 2.68723 2.70136 2.70496 2.73008 2.74211 2.74588 2.75348 2.75806 2.76601 2.78150 2.79322 2.80384 2.81040 2.81646 2.82149 2.82575 2.83873 2.84566 2.84872 2.85604 2.86212 2.86631 2.86889 2.87804 2.88402 2.88568 2.89677 2.89798 2.90330 2.91573 2.92372 2.92813 2.93359 2.94487 2.94989 2.95346 2.96019 2.96222 2.97379 2.98158 2.98855 2.99539 3.00215 3.00801 3.01258 3.01432 3.01745 3.02726 3.03558 3.03697 3.04843 3.05630 3.05892 3.06950 3.07528 3.08152 3.08842 3.09488 3.10305 3.11686 3.13099 3.13584 3.14595 3.14757 3.15194 3.15983 3.17239 3.17581 3.18064 3.19021 3.19468 3.19845 3.20418 3.20773 3.21496 3.22010 3.23710 3.23852 3.24518 3.25417 3.25825 3.26260 3.26897 3.27579 3.28203 3.28631 3.29200 3.29631 3.30642 3.31367 3.31843 3.32137 3.33023 3.33636 3.34707 3.35816 3.36515 3.36960 3.37417 3.38072 3.38282 3.38797 3.39594 3.39983 3.41413 3.42223 3.42440 3.42775 3.43671 3.44303 3.45314 3.45994 3.46322 3.46992 3.47648 3.48726 3.49169 3.50465 3.50881 3.51174 3.51965 3.52244 3.52833 3.54524 3.54973 3.55505 3.55986 3.56247 3.57566 3.58472 3.58644 3.58979 3.59305 3.60407 3.61959 3.62723 3.63495 3.63880 3.64990 3.66379 3.66768 3.67999 3.68431 3.69269 3.70207 3.71877 3.73412 3.74327 3.74743 3.74998 3.75854 3.76343 3.76714 3.79371 3.80354 3.81155 3.81543 3.82737 3.83012 3.83169 3.83815 3.84196 3.85538 3.86207 3.87670 3.88117 3.89815 3.90077 3.90718 3.92087 3.93130 3.94017 3.95359 3.96026 3.96474 3.97815 3.99782 4.00613 4.02040 4.02429 4.03554 4.04691 4.05755 4.06341 4.07342 4.08215 4.10165 4.10717 4.11459 4.12337 4.14160 4.14677 4.15589 4.15757 4.16120 4.18173 4.18755 4.19771 4.20772 4.21456 4.21711 4.23041 4.23419 4.24545 4.25150 4.25371 4.26969 4.27804 4.28103 4.28650 4.30322 4.30959 4.31445 4.31927 4.32216 4.33188 4.34273 4.35133 4.35688 4.36744 4.37054 4.37238 4.37665 4.38173 4.38756 4.39528 4.40179 4.40583 4.41297 4.42581 4.43488 4.44093 4.44868 4.45746 4.46055 4.47272 4.47723 4.48433 4.49639 4.50609 4.51378 4.51539 4.52172 4.52564 4.53885 4.54099 4.55226 4.55979 4.56988 4.58139 4.59146 4.60091 4.60951 4.61644 4.62515 4.63364 4.64218 4.65408 4.67876 4.68995 4.69516 4.69850 4.70451 4.71494 4.72598 4.73470 4.74304 4.74461 4.75226 4.75839 4.76618 4.77802 4.78281 4.80339 4.81305 4.81799 4.82355 4.82736 4.84018 4.84494 4.85175 4.86837 4.87919 4.88246 4.89459 4.90626 4.91348 4.91990 4.92488 4.93388 4.93854 4.94822 4.97087 4.99163 4.99957 5.00541 5.02836 5.05082 5.05900 5.07318 5.08749 5.10151 5.11267 5.12022 5.12914 5.14875 5.19059 5.21232 5.23609 5.24460 5.26693 5.29453 5.30302 5.33635 5.35198 5.36842 5.40962 5.44855 5.48716 5.50076 5.50545 5.54683 5.58066 5.60657 5.64661 5.67823 5.70270 5.71900 5.73178 5.73793 5.75715 5.76368 5.79408 5.80574 5.81134 5.81737 5.83100 5.83430 5.85687 5.85868 5.87581 5.89372 5.91339 5.95138 6.00363 6.00525 6.02162 6.05946 6.14156 6.15656 6.18794 6.27980 6.34405 6.40661 6.45921 6.50055 6.52273 6.55409 6.60515 6.60995 6.62136 6.62309 6.63367 6.63907 6.68903 6.70559 6.73137 6.73581 6.77280 6.81888 6.87286 6.89265 6.90535 6.91580 7.01021 7.09689 7.11618 7.14897 7.17761 7.18089 7.18729 7.19023 7.23226 7.24850 7.26789 7.28853 7.29810 7.30848 7.31979 7.32307 7.32585 7.34196 7.35125 7.35379 7.35573 7.36457 7.38363 7.40272 7.41357 7.42490 7.43481 7.44107 7.44964 7.46345 7.48781 7.49790 7.50727 7.51544 7.52806 7.54382 7.55898 7.56795 7.57397 7.57715 7.59001 7.59616 7.61455 7.64616 7.66074 7.68058 7.69393 7.70378 7.72546 7.73323 7.73422 7.74134 7.77017 7.81273 7.81415 7.82855 7.83156 7.85066 7.85768 7.87625 7.89274 7.90173 7.90429 7.91212 7.91361 7.91807 7.95874 7.99117 8.00463 8.02045 8.02662 8.03315 8.03519 8.05395 8.07270 8.10733 8.12276 8.14905 8.16677 8.23057 8.27878 8.29343 8.32039 8.34186 8.36298 8.37974 8.40040 8.45014 8.45547 8.47429 8.50783 8.54069 8.56564 8.58213 8.59245 8.64076 8.71493 8.72129 8.78502 8.86389 8.92602 8.98157 9.07353 9.21899 9.45353 10.16697 10.43545 10.46254 10.49946 10.56545 10.67902 10.76427 10.78796 10.86036 10.96192 10.99796 11.23920 11.40167 11.44710 12.18940 14.48801 14.51958 14.71717 14.89704 15.14165 19.31014 19.33567 19.35924 19.39161 19.40870 19.42287 19.44986 19.46504 19.67453 19.77982 24.15083 24.31803 24.34094 24.38258 24.40155 24.40847 24.44461 24.47846 24.52454 24.57568 24.65879 24.78036 24.98398 25.02058 25.16980 25.24703 25.41805 25.43137 25.47855 25.81278 36.11818 36.17366 36.23256 50.49315 67.01648 67.02115 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 48 49 F F O N N N 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 -0.409072 -0.432786 -0.732488 -0.713901 -0.370761 -0.747398 -0.057076 -0.362679 -0.524418 -0.274799 -0.128692 0.259413 0.601060 0.117490 0.116531 -0.106622 -0.435840 -0.460303 -0.055499 -0.366685 0.427977 0.233806 0.122667 0.023317 0.993242 -0.103490 0.099325 0.125113 0.086832 0.138198 0.165864 0.130516 0.137823 0.107194 0.134791 0.146913 0.137435 0.147034 0.147445 0.137923 0.158439 0.129797 0.129208 0.279911 0.208691 0.168857 0.159339 0.155765 0.154593 -0.00000 3.4834 -1.6270 -0.9101 3.9509 -124.9797 -148.2287 -157.7823 -9.4900 -9.6456 3.9036 18.6839 -4.5652 -14.1187 -9.4900 -9.6456 3.9036 192.7625 9.6268 23.9675 33.5569 -56.3926 -55.8735 52.2194 -8.5848 -5.6832 24.0039 -9252.0432 -2736.6109 -1537.8341 -377.6165 -223.6573 -60.2051 47.8424 41.9280 61.8814 -2015.6306 -1814.5801 -762.9421 145.0619 -23.1342 -11.8361 (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A) (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(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-HAMILTON09 APULGAR 2024-10-15T00:00:00.000 0 Single Point isopyrazam_anti CONF12 gas 0 1 Version=EM64L-G16RevC.01 State=1-A HF=-1215.6097189 RMSD=2.925e-09 Dipole=1.3706417,-0.6398943,-0.3578092 Quadrupole=13.8944167,-3.3953861,-10.4990305,-7.0539529,-7.1695725,2.8976318 PG=C01 [X(C20H23F2N3O1)] 0 2.3656441277 0.0486564257 2.5984154042 0 3.0850693253 1.9487091179 1.7522078229 0 0.7978992949 -0.3449703851 -1.786879086 0 0.8191433764 1.1361599336 -0.0468396975 0 4.7416685954 -1.1773356779 -0.8202163371 0 4.8156074623 -0.6327678647 0.4077228155 0 -3.1537705048 -0.7527651008 0.5405578423 0 -1.8109757977 -0.6655058921 -0.252421908 0 -3.8809727142 0.2540836814 -0.4062219888 0 -2.2682415625 -1.0590023797 -1.693460488 0 -3.6907869227 -0.4276287155 -1.7989693774 0 -1.6187595553 0.8342438332 -0.2633119626 0 -2.900858398 1.4052881576 -0.3548713065 0 -3.7812826389 -2.1422763748 0.724881349 0 -0.4978652518 1.6516740625 -0.1958014536 0 -3.0844105419 2.7778882937 -0.3789038699 0 -5.1597041465 -2.0303536238 1.3927649593 0 -2.8556787882 -3.0492027693 1.5492123004 0 -0.6793214402 3.0448376476 -0.2024042637 0 -1.9526407685 3.5986279896 -0.2899314579 0 1.378219271 0.1762012269 -0.8437066737 0 2.7748304739 -0.2238323366 -0.5157399363 0 3.6342804374 -0.0515879854 0.6047778411 0 3.5414760075 -0.9605713512 -1.4019551763 0 3.4200629914 0.6084727768 1.9204004906 0 5.8785059712 -1.9028302585 -1.3703969177 0 -3.0310028654 -0.3053401477 1.5346317356 0 -0.9688848328 -1.2396294388 0.1245278165 0 -4.9105278977 0.514368316 -0.1627170986 0 -2.3036114631 -2.1463286208 -1.7948998562 0 -1.5664708476 -0.6803957422 -2.4326862892 0 -3.7695590918 0.2993431272 -2.6090399093 0 -4.4602408113 -1.1865559088 -1.9616740394 0 -3.9225639178 -2.6129004641 -0.2536530661 0 -4.0770123373 3.2100224367 -0.4448643933 0 -5.8564149144 -1.4428627801 0.7893863708 0 -5.602606878 -3.0191863078 1.5441877096 0 -5.0768914913 -1.5482974998 2.3731286836 0 -2.6613305407 -2.611181398 2.5344078048 0 -3.3094896911 -4.0324318884 1.7050377364 0 -1.8927044558 -3.201011281 1.0556126172 0 0.1905453721 3.6902589468 -0.1401826715 0 -2.0638428899 4.6771151671 -0.2881573477 0 1.4239391523 1.6417530021 0.5842121391 0 3.2870028296 -1.3267188194 -2.3832123902 0 4.3090130126 0.562568582 2.5494364988 0 6.6722167727 -1.8804177653 -0.627393533 0 5.6004426732 -2.9376632511 -1.5779016761 0 6.2231998106 -1.4240546958 -2.2886617662