Gaussian 16 GINC-PIMPOLLAR MLEIFERM Optimization CONF2 gas EM64L-G16RevC.01 8-Feb-2023 Gaussian 16 3-Jul-2019 EM64L-G16RevC.01 39 39 96 96 666 (5D, 7F) 6-311+G(d,p) 111 111 C1[X(C19H12F4N2O2)] C1[X(C19H12F4N2O2)] RB3LYP 6-311+G(d,p) FOpt #P B3LYP 6-311+G(d,p) EmpiricalDispersion=gd3 opt freq 364.20911279999984 0 1 AuxInfo=1/0/N:2;3;4;5;6;7;9;15;16;17;18;20;26;27;29;31;32;33;36;11;12;13;25;24;38;10;23;1;8;14;19;21;22;28;30;34;35;37;39/rA:39nH0C0C0C0C0C0C0H0C0O0F0F0F0H0C0C0C0C0H0C0H0H0O0N0F0C0C0H0C0H0C0C0C0H0H0C0H0N0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:2.3971,1.3196,-1.7114;2.248,1.6025,-.678;1.4939,2.7149,-.3335;.8135,3.533,-1.3903;1.3171,3.057,1.0023;1.9046,2.286,1.9909;2.6618,1.1739,1.6578;3.1237,.5686,2.4265;2.8279,.8445,.3246;3.6126,-.2319,-.0135;1.3262,3.3255,-2.604;.9046,4.8409,-1.1346;-.4933,3.2388,-1.4565;1.7711,2.5521,3.0305;1.1364,-2.7161,-.0094;3.0207,-1.4425,-.0903;3.8348,-2.5498,-.3313;3.217,-3.7806,-.4043;3.8079,-4.6676,-.5894;1.8384,-3.8821,-.2371;1.3236,-4.83,-.2848;.7325,3.9242,1.2779;-.9645,-3.7974,.1833;-.8893,-1.5091,.2781;-6.076,.2497,.8132;-4.8207,-.1973,.6795;-3.8049,.7034,.4264;-4.0192,1.7589,.3299;-2.5118,.232,.291;-1.7165,.9369,.076;-2.2254,-1.1287,.4108;-3.2677,-2.0204,.6615;-4.5645,-1.548,.7949;-5.3745,-2.2376,.9906;4.9027,-2.435,-.4525;-.3585,-2.7474,.1629;-.2082,-.762,.2356;1.7254,-1.5239,.0597;-3.0768,-3.0773,.7514; g16 /usr/local/gaussian/gaussian16/g16/l1.exe "/temporal/mleiferm/opt-b3lyp-pople.com-4734205/Gau-1813.inp" -scrdir="/temporal/mleiferm/opt-b3lyp-pople.com-4734205/" chk=/home/mleiferm/archivo/herbicides/group12/picolinafen/gaussian/gas/CONF2/op #P B3LYP 6-311+G(d,p) EmpiricalDispersion=gd3 opt freq 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 CONF2 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 1 12 12 12 12 12 12 1 12 16 19 19 19 1 12 12 12 12 1 12 1 1 16 14 19 12 12 1 12 1 12 12 12 1 1 12 1 14 1 1.0078250 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 1.0078250 12.0000000 15.9949146 18.9984033 18.9984033 18.9984033 1.0078250 12.0000000 12.0000000 12.0000000 12.0000000 1.0078250 12.0000000 1.0078250 1.0078250 15.9949146 14.0030740 18.9984033 12.0000000 12.0000000 1.0078250 12.0000000 1.0078250 12.0000000 12.0000000 12.0000000 1.0078250 1.0078250 12.0000000 1.0078250 14.0030740 1.0078250 1 0 0 0 0 0 0 1 0 0 1 1 1 1 0 0 0 0 1 0 1 1 0 2 1 0 0 1 0 1 0 0 0 1 1 0 1 2 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 (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 1 2 2 3 3 4 4 4 5 5 6 6 7 7 9 10 15 15 15 16 16 17 17 18 18 20 23 24 24 24 25 26 26 27 27 29 29 31 32 32 33 2 3 9 4 5 11 12 13 6 22 7 14 8 9 10 16 20 36 38 17 38 18 35 19 20 21 36 31 36 37 26 27 33 28 29 30 31 32 33 39 34 1.0817 1.3874 1.3842 1.4996 1.3902 1.3338 1.3358 1.3411 1.3845 1.0816 1.3861 1.0814 1.082 1.3833 1.3743 1.3497 1.38 1.5051 1.3315 1.3954 1.3065 1.3791 1.0808 1.0818 1.3924 1.0798 1.2125 1.3956 1.3522 1.0118 1.3392 1.381 1.3796 1.0815 1.383 1.0843 1.3956 1.3944 1.3867 1.0777 1.0817 estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|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 1 1 3 2 2 4 3 3 3 11 11 12 3 3 6 5 5 7 6 6 8 2 2 7 9 20 20 36 10 10 17 16 16 18 17 17 19 15 15 18 31 31 36 25 25 27 26 26 28 27 27 30 24 24 29 31 31 33 26 26 32 15 15 23 15 2 2 2 3 3 3 4 4 4 4 4 4 5 5 5 6 6 6 7 7 7 9 9 9 10 15 15 15 16 16 16 17 17 17 18 18 18 20 20 20 24 24 24 26 26 26 27 27 27 29 29 29 31 31 31 32 32 32 33 33 33 36 36 36 38 3 9 9 4 5 5 11 12 13 12 13 13 6 22 22 7 14 14 8 9 9 7 10 10 16 36 38 38 17 38 38 18 35 35 19 20 20 18 21 21 36 37 37 27 33 33 28 29 29 30 31 31 29 32 32 33 39 39 32 34 34 23 24 24 16 121.4584 119.4002 119.1402 120.5969 120.3321 119.0267 112.4601 111.6145 110.9305 107.472 107.1841 106.8953 119.6801 120.7239 119.5938 120.4653 119.8047 119.73 120.7551 119.2273 120.0171 121.1534 119.3393 119.4822 117.7801 120.4373 122.6836 116.8773 117.7577 118.9574 123.2847 117.1296 120.7598 122.1105 119.7423 120.1485 120.109 117.5128 120.4305 122.0564 129.3119 116.5609 114.1051 119.3503 119.5039 121.1457 120.4712 118.9108 120.617 118.9194 121.0489 120.027 117.0037 123.946 119.0487 119.898 120.6461 119.4558 119.9463 120.0206 120.0331 121.0902 112.3685 126.5407 119.2385 estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|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 1 1 9 9 1 1 3 3 2 2 2 5 5 5 2 2 4 4 3 3 22 22 5 5 14 14 6 6 8 8 2 7 9 9 36 36 38 38 20 20 38 38 20 36 10 10 38 38 10 17 16 16 35 35 17 17 19 19 36 36 37 37 31 31 37 37 25 25 33 33 25 25 27 27 26 26 28 28 27 27 30 30 24 24 29 29 31 31 39 39 2 2 2 2 2 2 2 2 3 3 3 3 3 3 3 3 3 3 5 5 5 5 6 6 6 6 7 7 7 7 9 9 10 10 15 15 15 15 15 15 15 15 15 15 16 16 16 16 16 16 17 17 17 17 18 18 18 18 24 24 24 24 24 24 24 24 26 26 26 26 26 26 26 26 27 27 27 27 29 29 29 29 31 31 31 31 32 32 32 32 3 3 3 3 9 9 9 9 4 4 4 4 4 4 5 5 5 5 6 6 6 6 7 7 7 7 9 9 9 9 10 10 16 16 20 20 20 20 36 36 36 36 38 38 17 17 17 17 38 38 18 18 18 18 20 20 20 20 31 31 31 31 36 36 36 36 27 27 27 27 33 33 33 33 29 29 29 29 31 31 31 31 32 32 32 32 33 33 33 33 4 5 4 5 7 10 7 10 11 12 13 11 12 13 6 22 6 22 7 14 7 14 8 9 8 9 2 10 2 10 16 16 17 38 18 21 18 21 23 24 23 24 16 16 18 35 18 35 15 15 19 20 19 20 15 21 15 21 29 32 29 32 15 23 15 23 28 29 28 29 32 34 32 34 30 31 30 31 24 32 24 32 33 39 33 39 26 34 26 34 2.4293 179.9864 -177.963 -0.4059 179.951 1.7822 0.3352 -177.8337 -18.5671 -139.4478 101.4589 163.8443 42.9636 -76.1297 0.38 179.8476 177.9752 -2.5572 -0.2781 179.8032 -179.7518 0.3296 179.944 0.2046 -0.1373 -179.8767 -0.2348 177.9315 -179.9762 -1.8099 -92.8137 88.9865 -175.1374 5.0021 179.2117 -0.576 -0.2997 179.9125 4.3282 -175.4169 -176.1327 4.1221 -0.1232 -179.651 179.8568 -0.0679 -0.2892 179.7861 -179.7177 0.4299 -179.9968 -0.1546 -0.0733 179.769 0.4284 -179.7875 -179.7299 0.0542 -169.784 10.6853 8.3869 -171.1438 177.9443 -1.7841 -0.2634 -179.9918 -0.4219 179.9469 179.4875 -0.1438 -179.8319 0.079 0.2588 -179.8302 178.9919 -0.2175 -0.6388 -179.8482 -179.0983 0.4563 1.7009 -178.7444 179.1843 -0.9334 -0.3375 179.5449 -0.0126 -179.9235 -179.8964 0.1927 estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|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 693 A 666 A 1068 693 2396.8065821891 39 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= 666 RedAO= T EigKep= 1.03D-06 NBF= 666 NBsUse= 664 1.00D-06 EigRej= 9.24D-07 NBFU= 664 Berny optimization. local minimum Step number 36 out of a maximum of 206 All quantities printed in internal units (Hartrees-Bohrs-Radians) 0.00005 0.00188 0.00294 0.00781 0.01150 0.01657 0.01883 0.01969 0.02030 0.02141 0.02206 0.02213 0.02234 0.02242 0.02260 0.02269 0.02271 0.02273 0.02282 0.02291 0.02296 0.02299 0.02307 0.02309 0.02321 0.02328 0.02334 0.02348 0.02402 0.02610 0.02682 0.03598 0.04483 0.05791 0.09938 0.11368 0.13851 0.15290 0.15602 0.15902 0.15979 0.15997 0.16000 0.16001 0.16004 0.16013 0.16017 0.16040 0.19999 0.21280 0.21953 0.22035 0.22289 0.22688 0.23015 0.23441 0.23705 0.24055 0.24344 0.24618 0.24804 0.24907 0.25001 0.25065 0.25221 0.26049 0.27472 0.29942 0.31152 0.32313 0.34499 0.35479 0.35740 0.35762 0.35770 0.35804 0.35822 0.35831 0.35886 0.35949 0.36133 0.36354 0.38678 0.40780 0.43021 0.43193 0.43668 0.44054 0.44123 0.44577 0.45661 0.46804 0.47162 0.47612 0.47993 0.48062 0.48212 0.48596 0.48770 0.49127 0.49614 0.50650 0.52308 0.54114 0.55758 0.57103 0.57356 0.58319 0.61801 0.98176 1.12182 -4.36816122e-09 R1 R2 R3 R4 R5 R6 R7 R8 R9 R10 R11 R12 R13 R14 R15 R16 R17 R18 R19 R20 R21 R22 R23 R24 R25 R26 R27 R28 R29 R30 R31 R32 R33 R34 R35 R36 R37 R38 R39 R40 R41 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 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 2.04240 2.62850 2.63097 2.84301 2.64069 2.54861 2.55445 2.57573 2.62655 2.04607 2.63620 2.04706 2.04628 2.62309 2.62414 2.58697 2.62086 2.85907 2.54244 2.64800 2.48666 2.61768 2.04413 2.04812 2.64318 2.04310 2.31001 2.66037 2.57719 1.91615 2.56594 2.61952 2.61613 2.04560 2.62550 2.04861 2.65041 2.64869 2.63289 2.03886 2.04611 2.11303 2.09920 2.07095 2.09641 2.11229 2.07400 1.96803 1.95591 1.94098 1.87551 1.86197 1.85502 2.08283 2.09449 2.10582 2.10000 2.09357 2.08961 2.12044 2.08461 2.07814 2.11560 2.11338 2.05235 2.09127 2.09201 2.14446 2.04668 2.03456 2.08787 2.16069 2.04751 2.09263 2.14304 2.09288 2.09094 2.09937 2.05664 2.08409 2.14244 2.25498 2.04391 1.98415 2.07610 2.07943 2.12764 2.09508 2.07039 2.11770 2.08105 2.10678 2.09526 2.04554 2.15113 2.08651 2.08932 2.09070 2.10316 2.08572 2.08767 2.10979 2.11505 1.96831 2.19981 2.06610 0.04095 -3.13463 -3.09640 0.01121 3.13315 0.05850 -0.01265 -3.08730 -0.26752 -2.38648 1.82313 2.90732 0.78836 -1.28522 -0.00049 3.13249 3.10754 -0.04266 -0.00909 3.13506 3.14118 0.00214 -3.13647 0.00771 0.00257 -3.13643 0.00333 3.08024 -3.13574 -0.05883 -1.11650 2.08969 3.10863 -0.04571 3.12556 -0.01192 -0.00703 3.13867 0.04927 -3.08519 -3.10083 0.04790 0.00442 -3.12839 3.12108 -0.01717 -0.00718 3.13776 -3.12494 0.00294 -3.13932 0.00417 -0.00117 -3.14086 0.00241 3.13975 -3.13727 0.00006 -3.02025 0.12456 0.10186 -3.03651 3.11154 -0.02251 -0.01112 3.13802 -0.00649 -3.14075 3.13259 -0.00167 -3.14140 0.00029 0.00271 -3.13878 3.12553 -0.00159 -0.00864 -3.13575 -3.13475 0.00375 0.02144 -3.12324 3.13561 -0.01139 -0.00269 3.13349 -0.00047 3.14102 -3.13662 0.00487 0.00000 -0.00000 0.00000 0.00001 -0.00000 0.00000 -0.00001 0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00001 -0.00001 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00001 0.00000 0.00001 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00001 0.00000 0.00001 -0.00000 0.00000 -0.00001 -0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00001 0.00001 0.00000 -0.00001 0.00001 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00001 -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 -0.00001 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 0.00001 0.00000 0.00001 0.00001 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00001 0.00002 -0.00000 -0.00001 -0.00001 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 0.00001 -0.00001 -0.00000 0.00001 0.00002 -0.00002 -0.00001 -0.00000 0.00000 0.00001 0.00000 0.00000 0.00001 0.00000 0.00000 0.00001 -0.00000 0.00000 -0.00000 0.00001 -0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00001 -0.00001 0.00000 -0.00001 0.00000 0.00001 -0.00000 0.00001 -0.00002 -0.00000 0.00001 0.00000 -0.00001 0.00002 -0.00001 0.00001 -0.00000 -0.00000 -0.00001 -0.00000 0.00001 -0.00001 0.00000 0.00001 0.00000 0.00001 -0.00001 -0.00001 -0.00001 0.00001 -0.00000 -0.00001 0.00001 -0.00000 0.00000 0.00001 -0.00001 -0.00000 0.00002 -0.00001 0.00001 0.00000 -0.00001 0.00000 -0.00000 0.00000 0.00001 -0.00000 -0.00001 -0.00001 0.00000 0.00001 -0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00001 -0.00001 0.00001 0.00001 -0.00009 -0.00000 -0.00007 0.00002 -0.00002 -0.00003 -0.00004 -0.00005 0.00074 0.00074 0.00075 0.00066 0.00066 0.00066 0.00001 0.00004 0.00009 0.00013 -0.00002 -0.00001 -0.00005 -0.00005 0.00002 0.00000 0.00002 -0.00000 0.00003 0.00004 0.00001 0.00002 -0.00004 -0.00005 0.00022 0.00020 0.00001 -0.00001 0.00001 -0.00000 0.00009 0.00011 0.00009 0.00011 0.00001 0.00001 0.00001 0.00001 0.00003 0.00003 -0.00001 -0.00003 0.00000 -0.00001 0.00000 -0.00001 -0.00001 0.00000 -0.00002 -0.00001 0.00005 0.00006 0.00027 0.00028 0.00013 0.00015 -0.00009 -0.00007 -0.00000 0.00000 -0.00000 -0.00000 0.00001 0.00001 0.00001 0.00001 0.00001 -0.00001 0.00001 -0.00001 0.00002 0.00002 0.00000 -0.00000 -0.00002 -0.00004 -0.00001 -0.00003 -0.00000 -0.00000 0.00002 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 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00001 0.00002 -0.00000 -0.00001 -0.00001 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 0.00001 -0.00001 -0.00000 0.00001 0.00002 -0.00002 -0.00001 -0.00000 0.00000 0.00001 0.00000 0.00000 0.00001 0.00000 0.00000 0.00001 -0.00000 0.00000 -0.00000 0.00001 -0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00001 -0.00001 0.00000 -0.00001 0.00000 0.00001 -0.00000 0.00001 -0.00002 -0.00000 0.00001 0.00000 -0.00001 0.00002 -0.00001 0.00001 -0.00000 -0.00000 -0.00001 -0.00000 0.00001 -0.00001 0.00000 0.00001 0.00000 0.00001 -0.00001 -0.00001 -0.00001 0.00001 -0.00000 -0.00001 0.00001 -0.00000 0.00000 0.00001 -0.00001 -0.00000 0.00002 -0.00001 0.00001 0.00000 -0.00001 0.00000 -0.00000 0.00000 0.00001 -0.00000 -0.00001 -0.00001 0.00000 0.00001 -0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00001 -0.00001 0.00001 0.00001 -0.00009 -0.00000 -0.00007 0.00002 -0.00002 -0.00003 -0.00004 -0.00005 0.00074 0.00074 0.00075 0.00066 0.00066 0.00066 0.00001 0.00004 0.00009 0.00013 -0.00002 -0.00001 -0.00005 -0.00005 0.00002 0.00000 0.00002 -0.00000 0.00003 0.00004 0.00001 0.00002 -0.00004 -0.00005 0.00022 0.00020 0.00001 -0.00001 0.00001 -0.00000 0.00009 0.00011 0.00009 0.00011 0.00001 0.00001 0.00001 0.00001 0.00003 0.00003 -0.00001 -0.00003 0.00000 -0.00001 0.00000 -0.00001 -0.00001 0.00000 -0.00002 -0.00001 0.00005 0.00006 0.00027 0.00028 0.00013 0.00015 -0.00009 -0.00007 -0.00000 0.00000 -0.00000 -0.00000 0.00001 0.00001 0.00001 0.00001 0.00001 -0.00001 0.00001 -0.00001 0.00002 0.00002 0.00000 -0.00000 -0.00002 -0.00004 -0.00001 -0.00003 -0.00000 -0.00000 0.00002 0.00002 2.04240 2.62850 2.63097 2.84303 2.64069 2.54861 2.55444 2.57574 2.62656 2.04607 2.63620 2.04707 2.04628 2.62309 2.62413 2.58698 2.62085 2.85907 2.54245 2.64801 2.48664 2.61768 2.04413 2.04812 2.64319 2.04310 2.31001 2.66038 2.57720 1.91615 2.56594 2.61952 2.61614 2.04560 2.62550 2.04860 2.65041 2.64869 2.63289 2.03886 2.04611 2.11304 2.09919 2.07095 2.09640 2.11229 2.07401 1.96803 1.95591 1.94097 1.87551 1.86198 1.85502 2.08283 2.09451 2.10581 2.10001 2.09357 2.08961 2.12043 2.08461 2.07815 2.11559 2.11338 2.05236 2.09127 2.09202 2.14446 2.04668 2.03455 2.08788 2.16069 2.04750 2.09264 2.14304 2.09288 2.09095 2.09936 2.05664 2.08411 2.14243 2.25499 2.04391 1.98414 2.07611 2.07943 2.12765 2.09509 2.07038 2.11769 2.08104 2.10678 2.09527 2.04554 2.15114 2.08651 2.08932 2.09070 2.10315 2.08572 2.08768 2.10979 2.11504 1.96830 2.19982 2.06611 0.04086 -3.13463 -3.09647 0.01123 3.13313 0.05847 -0.01269 -3.08735 -0.26678 -2.38574 1.82388 2.90798 0.78902 -1.28456 -0.00048 3.13253 3.10764 -0.04254 -0.00911 3.13505 3.14112 0.00209 -3.13645 0.00771 0.00259 -3.13644 0.00335 3.08028 -3.13574 -0.05881 -1.11654 2.08964 3.10885 -0.04551 3.12557 -0.01193 -0.00702 3.13867 0.04936 -3.08508 -3.10074 0.04800 0.00443 -3.12838 3.12109 -0.01716 -0.00714 3.13779 -3.12495 0.00291 -3.13932 0.00416 -0.00117 -3.14087 0.00240 3.13975 -3.13730 0.00005 -3.02020 0.12462 0.10214 -3.03623 3.11167 -0.02236 -0.01121 3.13795 -0.00649 -3.14075 3.13259 -0.00168 -3.14140 0.00030 0.00272 -3.13877 3.12554 -0.00160 -0.00863 -3.13576 -3.13473 0.00377 0.02144 -3.12325 3.13559 -0.01143 -0.00270 3.13346 -0.00047 3.14102 -3.13660 0.00489 |Maximum Force|RMS Force|Maximum Displacement|RMS Displacement| 0.000014 0.000003 0.001749 0.000348 0.000450 0.000300 0.001800 0.001200 YES YES YES YES -3.309296e-09 Optimization completed. -- Stationary point found. R1 R2 R3 R4 R5 R6 R7 R8 R9 R10 R11 R12 R13 R14 R15 R16 R17 R18 R19 R20 R21 R22 R23 R24 R25 R26 R27 R28 R29 R30 R31 R32 R33 R34 R35 R36 R37 R38 R39 R40 R41 1 2 2 3 3 4 4 4 5 5 6 6 7 7 9 10 15 15 15 16 16 17 17 18 18 20 23 24 24 24 25 26 26 27 27 29 29 31 32 32 33 2 3 9 4 5 11 12 13 6 22 7 14 8 9 10 16 20 36 38 17 38 18 35 19 20 21 36 31 36 37 26 27 33 28 29 30 31 32 33 39 34 1.0808 1.3909 1.3922 1.5045 1.3974 1.3487 1.3518 1.363 1.3899 1.0827 1.395 1.0833 1.0828 1.3881 1.3886 1.369 1.3869 1.513 1.3454 1.4013 1.3159 1.3852 1.0817 1.0838 1.3987 1.0812 1.2224 1.4078 1.3638 1.014 1.3578 1.3862 1.3844 1.0825 1.3894 1.0841 1.4025 1.4016 1.3933 1.0789 1.0828 -DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-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 1 1 3 2 2 4 3 3 3 11 11 12 3 3 6 5 5 7 6 6 8 2 2 7 9 20 20 36 10 10 17 16 16 18 17 17 19 15 15 18 31 31 36 25 25 27 26 26 28 27 27 30 24 24 29 31 31 33 26 26 32 15 15 23 15 2 2 2 3 3 3 4 4 4 4 4 4 5 5 5 6 6 6 7 7 7 9 9 9 10 15 15 15 16 16 16 17 17 17 18 18 18 20 20 20 24 24 24 26 26 26 27 27 27 29 29 29 31 31 31 32 32 32 33 33 33 36 36 36 38 3 9 9 4 5 5 11 12 13 12 13 13 6 22 22 7 14 14 8 9 9 7 10 10 16 36 38 38 17 38 38 18 35 35 19 20 20 18 21 21 36 37 37 27 33 33 28 29 29 30 31 31 29 32 32 33 39 39 32 34 34 23 24 24 16 121.0678 120.2752 118.6566 120.1156 121.0251 118.8313 112.7598 112.0651 111.2102 107.4586 106.6831 106.2846 119.3376 120.0057 120.6549 120.3212 119.9529 119.7258 121.4921 119.4394 119.0684 121.2148 121.088 117.5911 119.8209 119.8631 122.8686 117.2664 116.5715 119.6259 123.7983 117.3134 119.8989 122.7874 119.9133 119.8019 120.2848 117.837 119.4096 122.753 129.201 117.1074 113.6834 118.952 119.1427 121.9051 120.0391 118.6244 121.3352 119.2356 120.7098 120.0494 117.201 123.2507 119.548 119.7091 119.7882 120.5019 119.5032 119.6149 120.8819 121.1832 112.7756 126.0398 118.379 -DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-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 1 1 9 9 1 1 3 3 2 2 2 5 5 5 2 2 4 4 3 3 22 22 5 5 14 14 6 6 8 8 2 7 9 9 36 36 38 38 20 20 38 38 20 36 10 10 38 38 10 17 16 16 35 35 17 17 19 19 36 36 37 37 31 31 37 37 25 25 33 33 25 25 27 27 26 26 28 28 27 27 30 30 24 24 29 29 31 31 39 2 2 2 2 2 2 2 2 3 3 3 3 3 3 3 3 3 3 5 5 5 5 6 6 6 6 7 7 7 7 9 9 10 10 15 15 15 15 15 15 15 15 15 15 16 16 16 16 16 16 17 17 17 17 18 18 18 18 24 24 24 24 24 24 24 24 26 26 26 26 26 26 26 26 27 27 27 27 29 29 29 29 31 31 31 31 32 32 32 3 3 3 3 9 9 9 9 4 4 4 4 4 4 5 5 5 5 6 6 6 6 7 7 7 7 9 9 9 9 10 10 16 16 20 20 20 20 36 36 36 36 38 38 17 17 17 17 38 38 18 18 18 18 20 20 20 20 31 31 31 31 36 36 36 36 27 27 27 27 33 33 33 33 29 29 29 29 31 31 31 31 32 32 32 32 33 33 33 4 5 4 5 7 10 7 10 11 12 13 11 12 13 6 22 6 22 7 14 7 14 8 9 8 9 2 10 2 10 16 16 17 38 18 21 18 21 23 24 23 24 16 16 18 35 18 35 15 15 19 20 19 20 15 21 15 21 29 32 29 32 15 23 15 23 28 29 28 29 32 34 32 34 30 31 30 31 24 32 24 32 33 39 33 39 26 34 26 2.3464 -179.601 -177.4105 0.6421 179.5161 3.3516 -0.725 -176.8895 -15.3277 -136.7352 104.4577 166.5772 45.1697 -73.6375 -0.028 179.4785 178.0491 -2.4443 -0.5207 179.6258 179.9761 0.1225 -179.7064 0.4418 0.1475 -179.7043 0.1906 176.4847 -179.6648 -3.3707 -63.9706 119.7304 178.1116 -2.6188 179.0816 -0.6831 -0.4026 179.8327 2.8228 -176.7683 -177.6645 2.7443 0.2533 -179.2435 178.8248 -0.9838 -0.4112 179.7802 -179.0456 0.1683 -179.8698 0.2391 -0.0671 -179.9582 0.1381 179.8944 -179.7526 0.0036 -173.0475 7.1367 5.8363 -173.9794 178.2779 -1.2896 -0.6372 179.7954 -0.3719 -179.9519 179.4842 -0.0958 -179.9891 0.0168 0.1551 -179.839 179.0795 -0.091 -0.4948 -179.6653 -179.6078 0.2151 1.2284 -178.9487 179.6573 -0.6524 -0.1544 179.5359 -0.0268 179.9672 -179.7148 -DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-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 -0.0379749793 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 364.20911279999984 AuxInfo=1/0/N:2;3;4;5;6;7;9;15;16;17;18;20;26;27;29;31;32;33;36;11;12;13;25;24;38;10;23;1;8;14;19;21;22;28;30;34;35;37;39/rA:39nH0C0C0C0C0C0C0H0C0O0F0F0F0H0C0C0C0C0H0C0H0H0O0N0F0C0C0H0C0H0C0C0C0H0H0C0H0N0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:2.3971,1.3196,-1.7114;2.248,1.6025,-.678;1.4939,2.7149,-.3335;.8135,3.5329,-1.3903;1.3171,3.057,1.0023;1.9046,2.286,1.9909;2.6618,1.1739,1.6578;3.1237,.5686,2.4265;2.8279,.8445,.3245;3.6126,-.2319,-.0135;1.3262,3.3255,-2.604;.9046,4.8409,-1.1346;-.4933,3.2388,-1.4565;1.7711,2.5521,3.0304;1.1364,-2.7161,-.0094;3.0207,-1.4425,-.0903;3.8348,-2.5498,-.3313;3.217,-3.7806,-.4043;3.8079,-4.6676,-.5894;1.8384,-3.8821,-.2371;1.3236,-4.83,-.2848;.7325,3.9241,1.2779;-.9645,-3.7974,.1833;-.8893,-1.5091,.2781;-6.076,.2497,.8132;-4.8207,-.1973,.6795;-3.8049,.7033,.4264;-4.0192,1.7589,.3299;-2.5118,.232,.2911;-1.7165,.9369,.0759;-2.2254,-1.1287,.4108;-3.2677,-2.0204,.6615;-4.5645,-1.548,.7949;-5.3745,-2.2377,.9906;4.9027,-2.435,-.4525;-.3585,-2.7474,.1629;-.2082,-.762,.2356;1.7254,-1.5239,.0597;-3.0768,-3.0773,.7514; 0.000000 1.081706 0.000000 2.158991 1.387360 0.000000 2.740404 2.508293 1.499613 0.000000 3.398360 2.409442 1.390187 2.490897 0.000000 3.857879 2.776358 2.399027 3.765278 1.384452 0.000000 3.382686 2.410606 2.775608 4.274569 2.404945 1.386068 0.000000 4.267808 3.387357 3.857566 5.356527 3.388837 2.150751 1.081998 0.000000 2.134550 1.384236 2.389808 3.771773 2.763500 2.388993 1.383349 2.140544 0.000000 2.601421 2.380955 3.643509 4.889233 4.137367 3.643481 2.381923 2.614103 1.374277 0.000000 2.442808 2.743665 2.357130 1.333774 3.616284 4.746347 4.957431 6.011476 4.121535 4.959198 0.000000 3.867795 3.535578 2.347126 1.335803 2.814101 4.158873 4.932805 5.988259 4.669039 5.858660 2.152481 0.000000 3.478902 3.286045 2.341879 1.341129 3.058828 4.306041 4.890517 5.940600 4.464897 5.566553 2.152798 2.150417 0.000000 4.939223 3.857718 3.379272 4.628349 2.138759 1.081361 2.139418 2.475647 3.369702 4.517496 5.704639 4.830869 5.072632 0.000000 4.557744 4.509238 5.452357 6.407905 5.863794 5.441708 4.498651 4.546656 3.956039 3.507535 6.577871 7.643800 6.341168 6.115326 0.000000 3.262776 3.196019 4.435542 5.596093 4.933654 4.413494 3.167024 3.223285 2.332256 1.349717 5.650078 6.711881 6.010722 5.220889 2.275795 0.000000 4.352490 4.458741 5.761716 6.873854 6.289145 5.701213 4.381600 4.223231 3.600732 2.350132 6.780705 7.990910 7.314833 6.449050 2.722645 1.395380 0.000000 5.328497 5.476504 6.720537 7.761239 7.234654 6.653061 5.395106 5.190138 4.698285 3.591998 7.675320 8.956060 8.009074 7.347884 2.370248 2.367263 1.379073 0.000000 6.252669 6.461875 7.740899 8.766800 8.270816 7.657250 6.362880 6.081240 5.672621 4.477179 8.608555 9.956821 9.042308 8.329249 3.358867 3.357113 2.133608 1.081774 0.000000 5.435344 5.517519 6.606648 7.573800 7.068097 6.558488 5.461778 5.343712 4.861551 4.064647 7.603497 8.818593 7.591465 7.216668 1.379952 2.714939 2.401930 1.392355 2.149433 0.000000 6.403532 6.510503 7.546959 8.451084 7.991289 7.493601 6.450636 6.303680 5.902019 5.143502 8.478818 9.717190 8.353391 8.104734 2.139989 3.793847 3.392281 2.168053 2.508202 1.079771 0.000000 4.300071 3.392998 2.153769 2.697958 1.081552 2.136679 3.380872 4.277483 3.845002 5.218775 3.972434 2.586626 3.074020 2.456067 6.775899 5.992377 7.357056 8.268350 9.314674 8.028410 8.912152 0.000000 6.408906 6.342023 6.979990 7.705263 7.270379 6.964666 6.327476 6.388027 5.995748 5.805273 7.984444 8.935889 7.240084 7.476987 2.370661 4.637044 4.985434 4.222596 4.912262 2.835545 2.553574 7.981221 0.000000 4.770736 4.520928 4.888269 5.577169 5.122612 5.014155 4.659536 5.003609 4.399839 4.688599 6.048760 6.748015 5.070304 5.580837 2.375436 3.927833 4.875587 4.742014 5.726456 3.651957 4.030140 5.757568 2.291503 0.000000 8.905765 8.564080 8.043332 7.943592 7.910430 8.320046 8.826998 9.345544 8.937132 9.735751 8.713774 8.579143 6.727059 8.473107 7.841621 9.296768 10.362030 10.202221 11.128304 8.989601 9.042278 7.750713 6.550047 5.502913 0.000000 7.753368 7.419516 7.027150 7.067041 6.954663 7.288070 7.669707 8.170216 7.727397 8.461823 7.808661 7.839206 5.924179 7.519139 6.504292 7.976893 9.026312 8.866754 9.800362 7.665632 7.755269 6.941371 5.298798 4.163926 1.339194 0.000000 6.588997 6.218183 5.718430 5.712838 5.666219 6.127820 6.599615 7.212750 6.635061 7.489142 6.510486 6.460271 4.576095 6.425720 6.024793 7.173549 8.337979 8.372698 9.371939 7.301563 7.577889 5.629088 5.327581 3.662992 2.348082 1.380976 0.000000 6.747564 6.349709 5.634559 5.427850 5.532976 6.174809 6.836761 7.538866 6.907941 7.894711 6.295625 5.990593 4.220618 6.438142 6.835275 7.745071 8.982681 9.142655 10.169048 8.151952 8.505128 5.307184 6.342340 4.525397 2.596476 2.142736 1.081454 0.000000 5.412032 5.047093 4.753960 4.978043 4.811125 5.158740 5.433269 6.035894 5.374790 6.149461 5.716720 5.911541 4.021125 5.588371 4.699997 5.792856 6.957340 7.028693 8.044815 6.010667 6.376881 5.013143 4.317526 2.379879 3.602340 2.380418 1.382987 2.146076 0.000000 4.501476 4.090132 3.692633 3.910291 3.815209 4.312704 4.661299 5.393394 4.552168 5.456542 4.705885 4.855601 3.023830 4.847798 4.635787 5.303802 6.568142 6.842875 7.897629 5.996502 6.529116 4.045522 4.794829 2.589980 4.474473 3.359555 2.130387 2.458185 1.084262 0.000000 5.644957 5.353177 5.399992 5.848886 5.515339 5.586915 5.544461 5.962960 5.425558 5.921705 6.445300 6.915258 5.055873 6.031796 3.741376 5.279306 6.268691 6.108724 7.065776 4.951317 5.174821 5.918808 2.960326 1.395558 4.109634 2.770447 2.418930 3.400384 1.395576 2.153522 0.000000 6.991168 6.733717 6.788624 7.190668 6.849544 6.860375 6.808378 7.118130 6.743673 7.140907 7.768230 8.228692 6.312104 7.204764 4.508830 6.359455 7.191035 6.803282 7.657416 5.508655 5.465217 7.191616 2.948005 2.462781 3.614323 2.395031 2.786166 3.867598 2.404538 3.390378 1.394414 0.000000 7.935315 7.648922 7.493296 7.714533 7.472777 7.614417 7.769958 8.139476 7.784160 8.321725 8.366785 8.628545 6.675110 7.870718 5.874652 7.637425 8.533509 8.183785 9.041345 6.892797 6.826930 7.631269 4.288811 3.711627 2.348745 1.379622 2.404428 3.383666 2.763302 3.847414 2.407252 1.386668 0.000000 8.964038 8.696831 8.570652 8.789801 8.532968 8.628424 8.755887 9.064042 8.787676 9.262832 9.421739 9.697935 7.733489 8.840944 6.604602 8.501797 9.308963 8.839704 9.629030 7.499201 7.294615 8.680242 4.746866 4.599589 2.590480 2.136990 3.381078 4.271555 3.844980 4.929049 3.388674 2.143458 1.081709 0.000000 4.686068 4.837289 6.176968 7.294955 6.718150 6.102962 4.743251 4.524875 3.957646 2.590425 7.113586 8.329953 7.894032 6.841678 3.802667 2.158232 1.080832 2.157464 2.490374 3.395600 4.309780 7.798883 6.056736 5.910781 11.372803 10.041545 9.297440 9.889436 7.914472 7.447300 7.298003 8.256329 9.590112 10.379891 0.000000 5.258039 5.140323 5.789144 6.574853 6.099403 5.813610 5.170355 5.314602 4.804224 4.704061 6.882860 7.801357 6.202852 6.390797 1.505059 3.631201 4.226910 3.764702 4.648850 2.504751 2.714201 6.851495 1.212495 1.352214 6.488136 5.165434 4.884130 5.808279 3.678266 3.927592 2.483378 3.039823 4.419157 5.109390 5.306199 0.000000 3.861544 3.529691 3.912738 4.704628 4.183159 4.103093 3.742600 4.203874 3.436094 3.865475 5.208131 5.874335 4.353212 4.765725 2.384643 3.315917 4.456910 4.610174 5.662512 3.761285 4.377907 4.891954 3.128636 1.011808 5.982299 4.668070 3.888349 4.570279 2.509411 2.277396 2.057697 3.335448 4.461826 5.425716 5.421587 1.992435 0.000000 3.416661 3.254544 4.263298 5.339087 4.694635 4.275176 3.272390 3.454774 2.625796 2.288238 5.547199 6.527719 5.468555 5.043942 1.331546 1.306453 2.377989 2.744564 3.826331 2.379444 3.348185 5.670214 3.524158 2.623844 8.035928 6.707925 5.973225 6.622033 4.592433 4.231194 3.986052 5.053686 6.332830 7.196224 3.344707 2.418721 2.085812 0.000000 7.440533 7.231679 7.457669 7.963419 7.549700 7.423940 7.198899 7.385385 7.101220 7.309500 8.464026 9.061213 7.172316 7.770793 4.296481 6.368670 7.015706 6.437495 7.192046 5.077778 4.848573 7.987970 2.302797 2.732845 4.479749 3.367636 3.863778 4.945178 3.388526 4.291861 2.153574 1.077711 2.134031 2.458033 8.095247 2.800761 3.722251 5.094356 0.000000 C19H12F4N2O2 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 0 364.20911279999984 AuxInfo=1/0/N:2;3;4;5;6;7;9;15;16;17;18;20;26;27;29;31;32;33;36;11;12;13;25;24;38;10;23;1;8;14;19;21;22;28;30;34;35;37;39/rA:39nH0C0C0C0C0C0C0H0C0O0F0F0F0H0C0C0C0C0H0C0H0H0O0N0F0C0C0H0C0H0C0C0C0H0H0C0H0N0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:-2.7619,-.665,-1.3138;-2.5714,-.8833,-.2716;-2.1375,-2.1357,.1383;-1.8664,-3.216,-.8659;-1.8996,-2.3905,1.4841;-2.1051,-1.3895,2.4181;-2.5404,-.1353,2.0198;-2.7034,.6502,2.7459;-2.7717,.1045,.6772;-3.2442,1.3327,.2811;-2.4465,-2.9752,-2.0425;-2.3022,-4.4046,-.4396;-.5503,-3.3413,-1.0912;-1.9237,-1.5865,3.4658;-.1709,2.9339,-.2613;-2.3393,2.293,-.0033;-2.8182,3.5685,-.3047;-1.8824,4.5403,-.5903;-2.2071,5.5441,-.8296;-.5248,4.2321,-.5676;.234,4.9695,-.7828;-1.5636,-3.3652,1.8109;2.1608,3.3369,-.405;1.4331,1.1992,-.0152;5.9039,-1.9985,.2481;4.8275,-1.2047,.1776;3.5693,-1.7725,.1368;3.4519,-2.8474,.1547;2.4641,-.9442,.0651;1.477,-1.3902,.0164;2.6054,.4439,.0383;3.8858,.995,.0754;4.994,.1644,.1449;5.9882,.5896,.175;-3.8794,3.7736,-.3095;1.2771,2.5242,-.2355;.564,.6945,.1011;-1.0687,1.9895,.0129;4.025,2.0633,.0486; 0.1849250 0.1520068 0.0929054 -24.72924 -24.72683 -24.72571 -24.69079 -19.19677 -19.10391 -14.36067 -14.34069 -10.44316 -10.29913 -10.28808 -10.26789 -10.25868 -10.24106 -10.22998 -10.22689 -10.21765 -10.21364 -10.21151 -10.21048 -10.20948 -10.20923 -10.20003 -10.19016 -10.18737 -10.18464 -10.18244 -1.34341 -1.25234 -1.24859 -1.23493 -1.13540 -1.06398 -0.98915 -0.96094 -0.90684 -0.87174 -0.84035 -0.82354 -0.80852 -0.78269 -0.77044 -0.76098 -0.73073 -0.69816 -0.68425 -0.66387 -0.65275 -0.64239 -0.63645 -0.61738 -0.61335 -0.60666 -0.59312 -0.57452 -0.55632 -0.55078 -0.54255 -0.53556 -0.52137 -0.51714 -0.50071 -0.49336 -0.49178 -0.49037 -0.47731 -0.47591 -0.46995 -0.46054 -0.45851 -0.45245 -0.44831 -0.44509 -0.44276 -0.43738 -0.43410 -0.43141 -0.42959 -0.41997 -0.40907 -0.40635 -0.40499 -0.39895 -0.39336 -0.38360 -0.36469 -0.35864 -0.32328 -0.32141 -0.31797 -0.29859 -0.28665 -0.27323 -0.27189 -0.26884 -0.23032 -0.07882 -0.05723 -0.04558 -0.04197 -0.02708 -0.01272 -0.00789 -0.00209 0.00861 0.01494 0.01600 0.02318 0.02813 0.03140 0.03436 0.03688 0.03947 0.04325 0.04586 0.05123 0.05361 0.05763 0.06342 0.06645 0.07152 0.07390 0.07639 0.08497 0.08744 0.08836 0.09014 0.09212 0.09632 0.10291 0.10423 0.10884 0.10960 0.11428 0.11519 0.11846 0.12360 0.12998 0.13265 0.13517 0.13555 0.13766 0.14035 0.14186 0.14386 0.14776 0.15122 0.15281 0.15627 0.15800 0.16017 0.16480 0.16897 0.17352 0.17433 0.18031 0.18119 0.18348 0.18545 0.18754 0.18944 0.19182 0.19374 0.19603 0.19742 0.19963 0.20347 0.20585 0.20924 0.21190 0.21504 0.21743 0.22034 0.22205 0.22388 0.22452 0.23030 0.23067 0.23375 0.23588 0.23709 0.24120 0.24315 0.24571 0.24954 0.25418 0.25516 0.25704 0.26037 0.26262 0.26395 0.26724 0.26947 0.27771 0.27891 0.28042 0.28501 0.28727 0.29176 0.29227 0.29726 0.29872 0.30358 0.30888 0.31333 0.31646 0.31833 0.32182 0.32397 0.33354 0.33508 0.33964 0.34261 0.34579 0.34772 0.34962 0.35480 0.35821 0.36008 0.36431 0.36721 0.36880 0.37345 0.37612 0.37799 0.38917 0.39246 0.39500 0.39759 0.39982 0.40741 0.41385 0.41919 0.42890 0.43153 0.44091 0.44324 0.44742 0.45198 0.45510 0.46025 0.46486 0.47209 0.47984 0.48074 0.48755 0.49665 0.50279 0.50940 0.51281 0.52504 0.52910 0.53315 0.54244 0.54666 0.55033 0.55330 0.55735 0.56510 0.56659 0.57732 0.57932 0.58384 0.58837 0.59365 0.60168 0.60551 0.61105 0.61376 0.61914 0.62080 0.63071 0.63137 0.63940 0.64604 0.65668 0.65851 0.66352 0.66534 0.67546 0.67799 0.68463 0.68719 0.69192 0.69946 0.70197 0.70565 0.71302 0.71708 0.71951 0.72539 0.72761 0.73468 0.73822 0.74255 0.74582 0.75117 0.76153 0.76486 0.77757 0.78161 0.79366 0.80241 0.80747 0.81538 0.82554 0.82892 0.83691 0.83851 0.84336 0.84800 0.85703 0.85960 0.86741 0.87037 0.88476 0.88785 0.89168 0.90604 0.91081 0.91944 0.92292 0.93122 0.93712 0.94418 0.94434 0.96019 0.97395 0.97881 0.98853 0.99326 0.99614 1.00287 1.00805 1.01323 1.01751 1.02302 1.02793 1.03182 1.04355 1.04612 1.05085 1.05820 1.06215 1.06878 1.07688 1.07870 1.09462 1.10544 1.10843 1.11615 1.12744 1.12970 1.14174 1.15061 1.15374 1.17388 1.18447 1.19388 1.20579 1.23272 1.23943 1.24740 1.27394 1.28901 1.29955 1.32114 1.32275 1.33502 1.33799 1.34492 1.36207 1.38662 1.39071 1.40327 1.41250 1.42313 1.43355 1.43709 1.44236 1.44699 1.45494 1.46111 1.47661 1.48567 1.49170 1.50231 1.50664 1.50924 1.51089 1.51962 1.52486 1.52598 1.53801 1.53919 1.54093 1.54976 1.55202 1.55535 1.56146 1.56250 1.56904 1.57402 1.57785 1.58546 1.59815 1.61244 1.61699 1.63700 1.65044 1.65887 1.66075 1.66698 1.67174 1.68136 1.68718 1.69859 1.70627 1.71671 1.73132 1.73517 1.73990 1.74592 1.75175 1.75964 1.77517 1.77639 1.79534 1.81855 1.82540 1.83017 1.85542 1.87468 1.88199 1.89157 1.89327 1.89742 1.90672 1.91275 1.92166 1.92635 1.92760 1.93341 1.94149 1.95030 1.96189 1.96626 1.97758 1.97879 1.98571 1.99310 1.99987 2.00415 2.01978 2.02046 2.02240 2.03611 2.04225 2.04971 2.05828 2.07235 2.07928 2.08192 2.09401 2.10544 2.11687 2.12832 2.15488 2.15715 2.17440 2.18172 2.21108 2.22519 2.23060 2.24891 2.26153 2.26968 2.31905 2.32657 2.34658 2.35197 2.38223 2.39251 2.41055 2.41712 2.42989 2.43496 2.45161 2.46425 2.47397 2.50972 2.51399 2.56089 2.57189 2.62145 2.63011 2.64665 2.64806 2.65366 2.66653 2.69269 2.69665 2.70823 2.71067 2.71701 2.72291 2.72739 2.72747 2.73328 2.74360 2.75354 2.75566 2.76091 2.76214 2.76855 2.77648 2.78336 2.79043 2.79163 2.79504 2.80207 2.80804 2.81253 2.83306 2.84744 2.84887 2.86272 2.86896 2.87978 2.89160 2.89818 2.91575 2.92374 2.94083 2.94504 2.95779 2.96841 2.97797 2.99094 3.02592 3.03517 3.04998 3.08144 3.08485 3.09642 3.12498 3.14035 3.15080 3.16377 3.18323 3.20117 3.22702 3.25364 3.29698 3.32666 3.35855 3.35925 3.37442 3.38076 3.38272 3.39488 3.44795 3.46949 3.48829 3.49974 3.51299 3.52327 3.53505 3.57452 3.60420 3.62485 3.62962 3.68612 3.70045 3.71128 3.72629 3.73512 3.74145 3.75775 3.76620 3.77224 3.78796 3.78882 3.85699 3.88128 3.89860 3.91733 3.92759 3.93402 3.95392 3.95967 3.97361 3.98686 3.99707 3.99898 4.00609 4.03237 4.09142 4.11240 4.13663 4.13926 4.15537 4.17127 4.18586 4.19563 4.21167 4.22300 4.28289 4.49894 4.57175 4.71055 4.82762 4.86277 4.87745 4.89321 4.92297 4.95893 5.07310 5.12328 5.13931 5.23764 5.34411 5.47949 5.82841 5.94437 6.32089 6.32471 6.35426 6.37069 6.38295 6.38758 6.41228 6.44785 6.48024 6.75326 6.76280 6.78510 23.52522 23.59459 23.64070 23.70176 23.90646 23.93620 23.94242 23.95117 23.95292 23.97762 23.98550 24.06681 24.07237 24.08506 24.08666 24.12352 24.15478 24.18832 24.21007 35.65549 35.73082 49.97315 50.06663 66.74718 66.76869 66.80112 66.81538 1-A. -4.4923 1.8680 2.0949 5.2970 -164.8222 -151.1290 -149.2009 -10.3493 -1.9440 -6.3766 -9.7715 3.9217 5.8498 -10.3493 -1.9440 -6.3766 -60.7902 8.2870 1.2950 -58.5324 40.9401 -7.7859 -19.5185 -27.8695 -0.4384 18.1636 -7642.4877 -5469.7380 -830.5804 255.2209 60.6605 -315.7837 -67.6765 -3.4247 54.9797 -2240.6186 -1378.5384 -1110.2919 32.8808 32.7552 17.5181 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 364.20911279999984 AuxInfo=1/0/N:2;3;4;5;6;7;9;15;16;17;18;20;26;27;29;31;32;33;36;11;12;13;25;24;38;10;23;1;8;14;19;21;22;28;30;34;35;37;39/rA:39nH0C0C0C0C0C0C0H0C0O0F0F0F0H0C0C0C0C0H0C0H0H0O0N0F0C0C0H0C0H0C0C0C0H0H0C0H0N0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:1.9553,.8806,-1.4001;2.0985,1.3954,-.4606;1.4391,2.5895,-.1886;.4682,3.1599,-1.1862;1.6313,3.2585,1.0231;2.495,2.7193,1.9692;3.1549,1.5167,1.716;3.8282,1.0772,2.4414;2.949,.8669,.5068;3.6814,-.2876,.2641;.5842,2.5985,-2.407;.6206,4.4945,-1.3374;-.8205,2.9652,-.7869;2.6561,3.2328,2.9094;1.1079,-2.7021,-.066;3.0319,-1.4736,.0508;3.8355,-2.5872,-.2278;3.1957,-3.8004,-.4215;3.7767,-4.6895,-.6374;1.8012,-3.8717,-.3397;1.2531,-4.7924,-.4842;1.1161,4.1914,1.2142;-1.029,-3.7653,-.1116;-.9378,-1.4852,.2184;-6.1829,.2335,.6137;-4.9017,-.2052,.5146;-3.8745,.725,.4829;-4.0996,1.7828,.5306;-2.5662,.2687,.3804;-1.7562,.988,.3396;-2.2899,-1.1047,.3124;-3.3469,-2.0248,.3439;-4.6586,-1.5663,.4454;-5.4894,-2.2602,.4707;4.9103,-2.4768,-.2807;-.4029,-2.7227,.0121;-.2443,-.7497,.2972;1.7191,-1.5195,.1289;-3.1392,-3.0818,.2842; 0.000000 1.080790 0.000000 2.157409 1.390944 0.000000 2.729883 2.509590 1.504457 0.000000 3.410464 2.427149 1.397394 2.498743 0.000000 3.876123 2.795369 2.405785 3.776098 1.389912 0.000000 3.399042 2.422436 2.778899 4.282709 2.415714 1.395017 0.000000 4.278204 3.393274 3.861490 5.365301 3.405273 2.167216 1.082844 0.000000 2.150277 1.392248 2.393835 3.778665 2.778983 2.403396 1.388077 2.135381 0.000000 2.667169 2.421408 3.675674 4.930884 4.165852 3.654697 2.374988 2.573871 1.388634 0.000000 2.417566 2.743882 2.377439 1.348668 3.646569 4.776684 4.977704 6.028579 4.132823 5.005668 0.000000 3.852915 3.543616 2.370353 1.351758 2.849717 4.194998 4.961153 6.020375 4.688406 5.899274 2.177167 0.000000 3.525096 3.330368 2.367485 1.363018 3.061613 4.318473 4.915958 5.966256 4.503920 5.652651 2.175355 2.172178 0.000000 4.959344 3.878610 3.389986 4.643924 2.146811 1.083260 2.148987 2.497869 3.384615 4.521292 5.740937 4.875438 5.081379 0.000000 3.915872 4.233981 5.303399 6.002234 6.081920 5.954722 5.016393 5.288709 4.056607 3.544291 5.818112 7.324234 6.029649 6.817098 0.000000 2.967612 3.060056 4.370726 5.438032 5.029962 4.642159 3.424888 3.585489 2.386013 1.368966 5.349178 6.584781 5.936799 5.519330 2.285736 0.000000 4.115260 4.351124 5.704601 6.729524 6.371504 5.897732 4.591636 4.533474 3.640948 2.356637 6.496991 7.855987 7.267747 6.716035 2.734902 1.401259 0.000000 4.940463 5.310490 6.631024 7.514605 7.373112 6.979506 5.730760 5.690973 4.765132 3.611867 7.190768 8.733509 7.876307 7.800735 2.385699 2.379851 1.385218 0.000000 5.909772 6.314511 7.658281 8.535799 8.398280 7.957881 6.666423 6.537295 5.733057 4.494239 8.150921 9.736295 8.930310 8.752006 3.376202 3.371948 2.142634 1.083819 0.000000 4.871627 5.276837 6.473091 7.206675 7.261293 7.018141 5.923923 6.027828 4.948593 4.092118 6.900539 8.507723 7.335945 7.858800 1.386899 2.723546 2.408554 1.398712 2.158713 0.000000 5.789219 6.245276 7.390124 8.021650 8.199511 7.999195 6.947040 7.045675 5.990467 5.171980 7.666098 9.347352 8.035615 8.825361 2.136592 3.803172 3.405532 2.182109 2.530348 1.081162 0.000000 4.301178 3.404130 2.153669 2.691781 1.082734 2.153780 3.400500 4.308148 3.861681 5.248412 3.991614 2.616810 3.042710 2.482830 7.011433 6.092373 7.444791 8.418422 9.454008 8.240029 9.143950 0.000000 5.670185 6.044471 6.817692 7.166164 7.595975 7.668026 6.981694 7.318406 6.137117 5.867127 6.954768 8.511592 6.767503 8.466297 2.387154 4.665669 5.006512 4.236165 4.921908 2.841342 2.530128 8.346748 0.000000 4.072718 4.240079 4.734864 5.052372 5.454471 5.703332 5.291936 5.849965 4.552268 4.772170 5.087810 6.372268 4.564077 6.512793 2.397188 3.973225 4.919190 4.780716 5.764219 3.675431 4.028743 6.118362 2.305618 0.000000 8.408621 8.431279 8.018125 7.485988 8.389338 9.128182 9.489850 10.211473 9.154498 9.884275 7.778935 8.261415 6.179000 9.612141 7.888921 9.388462 10.441931 10.261660 11.180089 9.028125 9.042026 8.324722 6.563456 5.533649 0.000000 7.201682 7.246828 6.965023 6.561411 7.411936 8.085833 8.325738 9.031494 7.923610 8.587193 6.818514 7.484206 5.329387 8.641431 6.533510 8.047720 9.086527 8.908958 9.836190 7.687770 7.740869 7.485551 5.297570 4.175974 1.357834 0.000000 6.128336 6.084128 5.671152 5.250988 6.084789 6.837938 7.180551 7.955555 6.825029 7.626613 5.633941 6.142334 3.994749 7.404375 6.072103 7.260759 8.421440 8.443022 9.439941 7.349806 7.593987 6.120168 5.349117 3.685000 2.363793 1.386191 0.000000 6.419031 6.288873 5.643248 5.070367 5.938385 6.814424 7.355601 8.185288 7.107941 8.056204 5.588693 5.755329 3.726551 7.307554 6.898415 7.854470 9.090595 9.235787 10.261126 8.218873 8.538941 5.785535 6.373539 4.557884 2.597540 2.143737 1.082487 0.000000 4.897861 4.872038 4.664013 4.474444 5.193439 5.843493 6.006086 6.766808 5.549037 6.273450 4.808617 5.564541 3.417843 6.515653 4.745935 5.872223 7.036246 7.099298 8.114922 6.060982 6.399120 5.444485 4.344881 2.398785 3.624370 2.386860 1.389353 2.160168 0.000000 4.100437 3.957960 3.613051 3.463057 4.134973 4.870975 5.127729 5.967500 4.709774 5.585792 3.951562 4.555963 2.460477 5.577722 4.688785 5.391575 6.661244 6.930342 7.987606 6.060811 6.568665 4.390536 4.829734 2.607957 4.498887 3.368761 2.139334 2.481863 1.084075 0.000000 4.989641 5.109469 5.272972 5.295226 5.909253 6.345406 6.203893 6.835529 5.601052 6.027203 5.419359 6.522565 4.464535 7.072523 3.773603 5.340995 6.325456 6.156097 7.110341 4.981853 5.175563 6.361055 2.974643 1.407805 4.127547 2.769714 2.426457 3.414668 1.402537 2.159874 0.000000 6.292510 6.480485 6.669385 6.616315 7.290878 7.699080 7.529788 8.093373 6.930103 7.240208 6.662939 7.814585 5.706236 8.382021 4.524516 6.409179 7.227034 6.822265 7.668663 5.511860 5.431808 7.701696 2.934159 2.471906 3.635339 2.399488 2.803395 3.885712 2.422928 3.406899 1.401627 0.000000 7.289555 7.433144 7.406460 7.161202 7.948369 8.477246 8.495350 9.110312 7.987527 8.439443 7.277987 8.232986 6.065064 9.088835 5.899472 7.701152 8.581737 8.211724 9.059845 6.903619 6.798484 8.190838 4.280154 3.728605 2.364558 1.384399 2.422099 3.396492 2.783809 3.867789 2.416896 1.393265 0.000000 8.293918 8.473950 8.482900 8.222858 9.025905 9.528537 9.515282 10.091553 8.999311 9.382867 8.293208 9.285892 7.119414 10.122682 6.633812 8.567806 9.356813 8.865612 9.643130 7.510422 7.265312 9.263315 4.743383 4.624009 2.592279 2.137850 3.394084 4.275603 3.866337 4.950255 3.405429 2.159201 1.082755 0.000000 4.610576 4.788751 6.142049 7.233572 6.733916 6.155919 4.797448 4.605581 3.955652 2.568924 6.999597 8.253252 7.919173 6.917885 3.815166 2.155165 1.081708 2.170659 2.511656 3.408218 4.333434 7.816411 6.079812 5.952546 11.454477 10.102897 9.381227 9.999056 7.992078 7.538731 7.353783 8.293074 9.639525 10.429090 0.000000 4.532041 4.841390 5.626071 6.066200 6.398067 6.468696 5.790826 6.184072 4.936142 4.761821 5.927968 7.413203 5.758873 7.295129 1.512956 3.655053 4.247436 3.781473 4.664707 2.510409 2.696718 7.180337 1.222404 1.363792 6.519876 5.179686 4.915269 5.850921 3.709938 3.963316 2.503764 3.043641 4.431209 5.128009 5.326988 0.000000 3.221368 3.265656 3.770982 4.241805 4.484516 4.725849 4.324812 4.951747 3.585329 3.952947 4.382866 5.560699 3.912545 5.576318 2.402531 3.364217 4.505228 4.653667 5.706453 3.786341 4.381289 5.206368 3.142697 1.013984 6.027779 4.694193 3.922720 4.618616 2.536824 2.303803 2.076290 3.354675 4.491675 5.461063 5.466867 1.999759 0.000000 2.855579 2.998024 4.130780 5.019064 4.861833 4.685834 3.714707 4.066807 2.711220 2.320905 4.967529 6.286858 5.234590 5.585116 1.345401 1.315882 2.397181 2.772277 3.856089 2.399778 3.362195 5.844385 3.557129 2.658639 8.108632 6.761030 6.037522 6.702556 4.650275 4.290711 4.034631 5.095618 6.385736 7.254533 3.356767 2.442174 2.115622 0.000000 6.670278 6.930685 7.304053 7.357595 7.968972 8.260609 7.925444 8.396160 7.260097 7.370844 7.305663 8.611996 6.564362 8.963859 4.278394 6.381471 7.011026 6.414474 7.159881 5.041909 4.775847 8.477780 2.253194 2.720253 4.512626 3.381478 3.882292 4.964607 3.400519 4.298779 2.152015 1.078917 2.152026 2.496637 8.091994 2.773152 3.717485 5.105714 0.000000 C19H12F4N2O2 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 0 364.20911279999984 AuxInfo=1/0/N:2;3;4;5;6;7;9;15;16;17;18;20;26;27;29;31;32;33;36;11;12;13;25;24;38;10;23;1;8;14;19;21;22;28;30;34;35;37;39/rA:39nH0C0C0C0C0C0C0H0C0O0F0F0F0H0C0C0C0C0H0C0H0H0O0N0F0C0C0H0C0H0C0C0C0H0H0C0H0N0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:-2.0456,-.6867,-1.3212;-2.2266,-1.13,-.3522;-1.7238,-2.3869,-.0327;-.8691,-3.1318,-1.0216;-1.9653,-2.9627,1.2174;-2.7195,-2.2657,2.154;-3.2211,-.9993,1.8528;-3.8068,-.4376,2.5697;-2.9684,-.4443,.6058;-3.5479,.7847,.3195;-.9476,-2.6215,-2.2675;-1.2025,-4.4396,-1.0973;.4458,-3.0927,-.6648;-2.918,-2.7052,3.124;-.6874,2.8115,-.2022;-2.7532,1.8604,.0271;-3.4098,3.0567,-.2912;-2.6205,4.1616,-.5652;-3.0845,5.1089,-.8142;-1.2271,4.0486,-.5213;-.5661,4.8787,-.7282;-1.5731,-3.9458,1.4457;1.5695,3.5738,-.3567;1.186,1.3461,.0972;6.1654,-1.0409,.4563;4.9515,-.4393,.3651;3.8091,-1.2233,.4083;3.8928,-2.298,.5072;2.5707,-.6007,.3134;1.6713,-1.2057,.3309;2.4777,.7922,.1786;3.6481,1.5621,.1349;4.8897,.937,.2289;5.8059,1.5132,.1968;-4.4909,3.0894,-.3119;.8144,2.6324,-.1621;.4035,.7154,.2322;-1.4442,1.7331,.0706;3.5813,2.6332,.0237; 0.1954568 0.1498107 0.0945140 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= 683 681 682 683 683 MxSgAt= 39 MxSgA2= 39. 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= 666 RedAO= T EigKep= 1.10D-06 NBF= 666 NBsUse= 663 1.00D-06 EigRej= 9.62D-07 NBFU= 663 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= 682 682 682 682 682 MxSgAt= 39 MxSgA2= 39. 1 -1.76741182e+00 7.34909177e-01 8.24180759e-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 1 6 6 6 6 6 6 1 6 8 9 9 9 1 6 6 6 6 1 6 1 1 8 7 9 6 6 1 6 1 6 6 6 1 1 6 1 7 1 -0.000315394 0.000279011 -0.000388268 0.001582246 -0.000963932 -0.005985135 0.000654419 -0.000787478 0.001390906 0.007514936 -0.006489005 0.007828635 -0.003273220 0.004616943 0.002171793 -0.000818554 0.000948559 0.004901665 0.002790639 -0.001905879 0.004290753 0.000663775 -0.001407869 -0.000417281 -0.004629247 0.006107567 0.002076151 0.013508677 0.002532776 -0.002236042 0.005298357 -0.002625275 -0.013689470 0.000262294 0.015216303 0.002727343 -0.016264263 -0.003255011 -0.001276324 -0.000087736 0.000453160 0.001405856 -0.004075626 -0.004861881 -0.000092626 0.003170899 -0.007769647 -0.001358090 0.005666208 -0.000483611 -0.000954179 0.002879946 -0.004606893 -0.000734790 0.000903847 -0.001307082 -0.000271596 -0.000608609 -0.005845571 -0.000653972 -0.001725407 -0.000097838 0.000255140 -0.000764848 0.001217173 -0.001428654 -0.009943851 -0.013553197 0.000351973 -0.000491482 0.005976554 0.000519184 -0.012657402 0.004560277 0.001273521 0.007588444 -0.003085340 -0.000683193 -0.000241731 0.006113003 -0.000620321 -0.001348837 0.000710197 0.000064634 0.003041589 0.004723486 -0.001144817 0.001051508 0.000282753 0.000122180 -0.002040881 0.000920804 0.000029613 -0.000099988 -0.005931448 0.000912282 -0.004188649 -0.003976602 0.000973370 -0.001496941 0.000316626 0.000170943 0.000577106 0.001350905 0.000062505 0.009218345 0.002546042 -0.000595710 0.002466852 0.000480700 -0.000349433 -0.005810056 0.010376781 0.001719995 0.002042635 -0.000776064 -0.000368538 0.016264263 0.004609376 (Enter /usr/local/gaussian/gaussian16/g16/l716.exe) Closed 1 1 1 -1391.02803588848 -1391.02803822324 -0.000002334762 -1391.02803823856 -0.000000015316 -1391.02803824312 -0.000000004565 -1391.02803824585 -0.000000002731 -1391.02803824596 -0.000000000104 -1391.02803824595 0.000000000012 -1391.02803824603 -0.000000000089 -1391.02803825 8 1.385939371599e+03 -8.057398634193e+03 2.882251179015e+03 Using DIIS extrapolation, IDIIS= 1040. NGot= 11324620800 LenX= 11323647452 LenY= 11323166510 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) PT129604.800S Wed Feb 8 04:43:37 2023 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 H C C C C C C H C O F F F H C C C C H C H H O N F C C H C H C C C H H C H N H 0.143939 -0.122447 -0.118396 0.576863 -0.075715 -0.127066 0.265544 0.131904 -0.552310 0.036209 -0.118208 -0.084597 -0.043253 0.138671 -0.022558 -0.348143 -0.277372 -0.237287 0.142297 -0.141804 0.158811 0.142613 -0.350041 -0.174111 -0.188528 -0.200383 -0.071604 0.135856 -0.371462 0.154247 0.281987 0.415377 -0.268955 0.135740 0.141493 0.142460 0.323641 0.255735 0.170853 -0.00000 -24.73054 -24.72733 -24.72560 -24.68642 -19.19885 -19.10607 -14.36321 -14.34549 -10.44737 -10.30292 -10.29248 -10.27198 -10.25902 -10.24603 -10.23205 -10.23076 -10.22153 -10.21729 -10.21409 -10.21338 -10.21293 -10.21190 -10.20378 -10.19071 -10.18843 -10.18616 -10.18355 -1.33376 -1.24822 -1.24262 -1.22427 -1.12522 -1.05949 -0.98502 -0.95644 -0.90496 -0.86800 -0.83959 -0.82369 -0.80582 -0.78194 -0.76801 -0.75878 -0.73061 -0.69648 -0.68306 -0.66107 -0.64956 -0.64182 -0.63220 -0.61248 -0.60989 -0.60224 -0.59084 -0.57171 -0.55230 -0.54823 -0.53941 -0.53456 -0.51927 -0.51503 -0.49837 -0.49081 -0.48986 -0.48691 -0.47931 -0.46924 -0.46678 -0.45976 -0.45823 -0.45003 -0.44743 -0.44453 -0.43985 -0.43655 -0.43475 -0.43154 -0.42999 -0.41944 -0.40817 -0.40582 -0.40542 -0.40119 -0.39184 -0.38224 -0.36581 -0.35811 -0.32409 -0.32260 -0.31709 -0.29800 -0.29078 -0.27395 -0.27059 -0.26614 -0.23001 -0.08177 -0.06048 -0.05287 -0.03921 -0.02740 -0.01203 -0.00940 -0.00222 0.00849 0.01529 0.01804 0.02172 0.02678 0.03247 0.03476 0.03681 0.04045 0.04184 0.04343 0.05042 0.05737 0.06042 0.06145 0.06549 0.06930 0.07566 0.07766 0.08220 0.08675 0.08844 0.09176 0.09359 0.09717 0.09919 0.10329 0.10432 0.10702 0.11261 0.11380 0.11622 0.12290 0.12740 0.13128 0.13491 0.13588 0.13787 0.14007 0.14220 0.14450 0.14669 0.14908 0.15032 0.15216 0.15653 0.15891 0.16292 0.16712 0.17165 0.17335 0.17728 0.17954 0.18224 0.18401 0.18501 0.18768 0.19015 0.19338 0.19546 0.19617 0.20060 0.20449 0.20481 0.20849 0.21042 0.21331 0.21422 0.21849 0.21912 0.22178 0.22294 0.22680 0.22999 0.23186 0.23530 0.23719 0.23779 0.23931 0.24714 0.24907 0.25076 0.25281 0.25445 0.25623 0.25860 0.26180 0.26499 0.26811 0.27198 0.27615 0.27986 0.28299 0.29008 0.29215 0.29359 0.29553 0.30290 0.30565 0.30912 0.31123 0.31637 0.32074 0.32387 0.32581 0.32807 0.33295 0.33805 0.34248 0.34642 0.34882 0.35010 0.35564 0.35996 0.36119 0.36602 0.36886 0.37181 0.37570 0.37815 0.38262 0.38656 0.38924 0.39544 0.39907 0.40742 0.41180 0.41319 0.41937 0.42262 0.43257 0.43852 0.44105 0.44467 0.44658 0.45629 0.46062 0.46164 0.46853 0.47712 0.49041 0.49982 0.50299 0.50948 0.51088 0.51956 0.52746 0.53469 0.53776 0.54351 0.54702 0.55374 0.55793 0.56060 0.56523 0.57522 0.57824 0.57963 0.58359 0.59495 0.59717 0.60103 0.60566 0.61030 0.61993 0.62145 0.62643 0.63629 0.63734 0.64122 0.64739 0.65179 0.65814 0.66140 0.66598 0.67019 0.67795 0.68557 0.68858 0.69143 0.69631 0.70181 0.70625 0.71094 0.71667 0.71979 0.72295 0.72945 0.73739 0.74509 0.74806 0.75370 0.75973 0.76777 0.77338 0.77716 0.78572 0.79226 0.80152 0.80346 0.80803 0.82099 0.83246 0.83501 0.84478 0.85016 0.85436 0.86142 0.86830 0.87891 0.88158 0.88488 0.89467 0.89989 0.90632 0.91637 0.91855 0.92560 0.92777 0.94144 0.95563 0.95704 0.96910 0.97267 0.98828 0.99083 0.99827 1.00223 1.00677 1.01309 1.01821 1.02019 1.02967 1.03448 1.03603 1.04487 1.05102 1.05583 1.05860 1.06642 1.07458 1.07748 1.08266 1.08622 1.10875 1.11653 1.12075 1.13146 1.13647 1.14139 1.15376 1.16614 1.18588 1.18974 1.19790 1.22039 1.23210 1.23831 1.26464 1.28514 1.29070 1.30962 1.31663 1.32136 1.33755 1.34389 1.37104 1.37988 1.39046 1.39975 1.40472 1.42111 1.42772 1.43705 1.44433 1.44874 1.45914 1.46249 1.46739 1.48593 1.49262 1.49383 1.50080 1.51218 1.51411 1.51898 1.52847 1.53304 1.53525 1.53661 1.54021 1.54332 1.54671 1.55279 1.55646 1.55973 1.56405 1.56727 1.57104 1.57120 1.58059 1.60866 1.61183 1.62412 1.64538 1.65130 1.65514 1.66189 1.66647 1.67396 1.67815 1.68836 1.70093 1.70505 1.71482 1.72578 1.73244 1.73803 1.74283 1.75370 1.76351 1.77884 1.79098 1.80252 1.81290 1.83120 1.84561 1.87049 1.87764 1.89046 1.89302 1.89639 1.90147 1.90852 1.91676 1.91970 1.92337 1.92702 1.93573 1.94138 1.95190 1.96113 1.96274 1.97555 1.97670 1.98884 1.99278 1.99622 2.00602 2.01555 2.02003 2.02977 2.03119 2.04453 2.05277 2.05758 2.07424 2.08467 2.08779 2.09725 2.11006 2.12593 2.14560 2.16533 2.16710 2.17201 2.21751 2.21977 2.22945 2.24141 2.25589 2.27308 2.31520 2.31982 2.33271 2.34126 2.36612 2.38445 2.39428 2.41149 2.42476 2.43584 2.44182 2.45884 2.46663 2.49809 2.50299 2.54538 2.56074 2.61698 2.62481 2.63070 2.63475 2.64556 2.66125 2.67177 2.69171 2.69341 2.69864 2.70446 2.70865 2.71844 2.72167 2.72648 2.72898 2.73875 2.74549 2.75175 2.75562 2.75854 2.77146 2.77858 2.78220 2.78804 2.79554 2.79877 2.80668 2.81147 2.81887 2.84122 2.84607 2.85584 2.85914 2.87747 2.88439 2.89014 2.90456 2.92606 2.93323 2.93777 2.94540 2.95387 2.96020 2.97543 3.00869 3.02651 3.03276 3.06578 3.07457 3.08060 3.08808 3.11189 3.11997 3.15757 3.16489 3.18172 3.20703 3.23239 3.26978 3.28758 3.33928 3.34485 3.35464 3.36057 3.36986 3.39203 3.42566 3.44906 3.47117 3.49075 3.49930 3.50640 3.51612 3.55684 3.58444 3.60295 3.61366 3.66373 3.67616 3.70321 3.70999 3.73567 3.74186 3.75833 3.76633 3.76975 3.78181 3.79231 3.85404 3.87631 3.87951 3.90068 3.90576 3.92062 3.94045 3.94841 3.96798 3.97254 3.98507 3.99564 3.99770 4.02400 4.07886 4.09719 4.12280 4.12768 4.14336 4.15903 4.16986 4.17818 4.19112 4.19919 4.26778 4.47460 4.54106 4.69224 4.81906 4.84967 4.86282 4.87764 4.91213 4.93632 5.07020 5.10093 5.11955 5.22279 5.33000 5.44368 5.81344 5.90421 6.31503 6.32842 6.35364 6.37052 6.39251 6.40116 6.41850 6.45042 6.47706 6.72503 6.74017 6.75298 23.50669 23.58690 23.62454 23.68119 23.87475 23.91210 23.92038 23.92899 23.93574 23.95166 23.97179 24.04374 24.04810 24.05860 24.06464 24.10244 24.12828 24.15962 24.18668 35.63623 35.70505 49.95893 50.05384 66.74398 66.77082 66.80142 66.81802 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 H C C C C C C H C O F F F H C C C C H C H H O N F C C H C H C C C H H C H N H 0.151836 0.375015 -0.620572 0.523731 0.249904 -0.462636 0.686187 0.136362 -0.895724 0.011789 -0.116431 -0.077287 -0.032418 0.142659 -0.044173 -0.381918 -0.034396 -0.294283 0.145277 0.055132 0.162936 0.145181 -0.350518 -0.152949 -0.196264 -0.219304 -0.086926 0.138145 -0.196540 0.156932 0.159327 0.318556 -0.237027 0.138034 0.144669 -0.021066 0.321876 0.082112 0.174774 -0.00000 -2.29774837e+00 2.86343401e-01 7.66888178e-01 ./ancestor::cml:module[@dictRef='cc:finalization']/cml:molecule[@id='mol9999'] -5.8403 0.7278 1.9492 6.1999 -158.9142 -150.5796 -151.4642 -7.8948 -4.1472 -9.0915 -5.2616 3.0731 2.1885 -7.8948 -4.1472 -9.0915 -90.4522 -22.3039 -6.7284 -53.3945 42.6737 -4.3052 -18.3675 -30.4433 10.6726 24.4847 -8058.5748 -5345.2084 -827.9199 137.8017 -58.5423 -327.9025 -84.8147 -40.4935 44.6087 -2032.3658 -1372.4340 -1051.4297 -6.7692 25.3113 28.3758 (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A) (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A) (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A) (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(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 -1391.0280382 4.862E-9 3.225E-6 -2.1271491,1.3880579,0.7390913,-6.1793163,2.5720306,7.2755798 C01 [X(C19H12F4N2O2)] 2.3333577 0.0636127 0.7079215 0.000000455 -0.000000704 -0.000000976 -0.000002717 0.000002092 -0.000003226 0.000001833 0.000004414 0.000016294 -0.000001508 0.000007476 -0.000009544 -0.000001440 -0.000000183 -0.000004697 0.000001995 -0.000003438 0.000000871 0.000001305 0.000003101 0.000003220 -0.000000359 0.000000334 0.000001521 0.000001886 -0.000004518 -0.000000319 -0.000000078 0.000000893 -0.000001532 0.000001486 -0.000000995 0.000000401 -0.000001271 -0.000005075 -0.000000408 0.000000085 -0.000002737 0.000002590 0.000000994 0.000000377 0.000000159 0.000000865 -0.000001743 0.000000859 -0.000013927 0.000005291 -0.000005002 0.000005041 -0.000005052 0.000002010 0.000002127 0.000004556 -0.000000773 -0.000000027 -0.000000700 -0.000000110 -0.000005400 0.000000991 -0.000001499 0.000001403 -0.000001953 -0.000000865 -0.000001521 -0.000000562 0.000002883 0.000001626 -0.000008260 -0.000002094 0.000003721 0.000005854 -0.000001839 -0.000001730 0.000000370 0.000000237 0.000000891 0.000000324 -0.000000138 -0.000001124 0.000001128 0.000000534 0.000001261 0.000000418 -0.000000046 0.000001675 -0.000000940 -0.000002178 0.000000283 0.000001155 -0.000000046 -0.000001165 0.000002054 -0.000000633 -0.000001839 -0.000001159 0.000002659 -0.000001735 -0.000002473 -0.000000301 0.000000051 -0.000000544 -0.000000390 0.000000485 -0.000001834 -0.000000464 0.000000601 0.000003844 0.000000749 0.000001740 0.000000191 0.000001369 0.000004861 -0.000002523 0.000002109 -0.000000826 0.000000529 -0.000001387 364.20911279999984 AuxInfo=1/0/N:2;3;4;5;6;7;9;15;16;17;18;20;26;27;29;31;32;33;36;11;12;13;25;24;38;10;23;1;8;14;19;21;22;28;30;34;35;37;39/rA:39nH0C0C0C0C0C0C0H0C0O0F0F0F0H0C0C0C0C0H0C0H0H0O0N0F0C0C0H0C0H0C0C0C0H0H0C0H0N0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:1.9553,.8806,-1.4001;2.0985,1.3954,-.4606;1.4391,2.5895,-.1886;.4682,3.1599,-1.1862;1.6313,3.2585,1.0231;2.495,2.7193,1.9692;3.155,1.5167,1.716;3.8282,1.0772,2.4414;2.949,.8669,.5068;3.6814,-.2876,.2641;.5842,2.5985,-2.407;.6206,4.4945,-1.3374;-.8205,2.9652,-.7869;2.6561,3.2328,2.9094;1.1079,-2.7021,-.066;3.0319,-1.4736,.0508;3.8355,-2.5872,-.2278;3.1957,-3.8004,-.4215;3.7767,-4.6895,-.6374;1.8012,-3.8717,-.3397;1.2531,-4.7924,-.4842;1.1161,4.1914,1.2142;-1.029,-3.7653,-.1116;-.9378,-1.4852,.2184;-6.1829,.2335,.6137;-4.9017,-.2052,.5146;-3.8745,.725,.4829;-4.0996,1.7828,.5306;-2.5662,.2687,.3804;-1.7562,.988,.3396;-2.2899,-1.1047,.3124;-3.3469,-2.0248,.3439;-4.6586,-1.5663,.4454;-5.4894,-2.2602,.4707;4.9103,-2.4768,-.2807;-.4029,-2.7227,.0121;-.2443,-.7497,.2972;1.7191,-1.5195,.1289;-3.1392,-3.0818,.2842; Gaussian 16 GINC-PIMPOLLAR MLEIFERM Optimization CONF2 gas EM64L-G16RevC.01 111 C1[X(C19H12F4N2O2)] 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 0 364.20911279999984 AuxInfo=1/0/N:2;3;4;5;6;7;9;15;16;17;18;20;26;27;29;31;32;33;36;11;12;13;25;24;38;10;23;1;8;14;19;21;22;28;30;34;35;37;39/rA:39nH0C0C0C0C0C0C0H0C0O0F0F0F0H0C0C0C0C0H0C0H0H0O0N0F0C0C0H0C0H0C0C0C0H0H0C0H0N0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:1.9553,.8806,-1.4001;2.0985,1.3954,-.4606;1.4391,2.5895,-.1886;.4682,3.1599,-1.1862;1.6313,3.2585,1.0231;2.495,2.7193,1.9692;3.1549,1.5167,1.716;3.8282,1.0772,2.4414;2.949,.8669,.5068;3.6814,-.2876,.2641;.5842,2.5985,-2.407;.6206,4.4945,-1.3374;-.8205,2.9652,-.7869;2.6561,3.2328,2.9094;1.1079,-2.7021,-.066;3.0319,-1.4736,.0508;3.8355,-2.5872,-.2278;3.1957,-3.8004,-.4215;3.7767,-4.6895,-.6374;1.8012,-3.8717,-.3397;1.2531,-4.7924,-.4842;1.1161,4.1914,1.2142;-1.029,-3.7653,-.1116;-.9378,-1.4852,.2184;-6.1829,.2335,.6137;-4.9017,-.2052,.5146;-3.8745,.725,.4829;-4.0996,1.7828,.5306;-2.5662,.2687,.3804;-1.7562,.988,.3396;-2.2899,-1.1047,.3124;-3.3469,-2.0248,.3439;-4.6586,-1.5663,.4454;-5.4894,-2.2602,.4707;4.9103,-2.4768,-.2807;-.4029,-2.7227,.0121;-.2443,-.7497,.2972;1.7191,-1.5195,.1289;-3.1392,-3.0818,.2842; Optimization CONF2 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 1 12 12 12 12 12 12 1 12 16 19 19 19 1 12 12 12 12 1 12 1 1 16 14 19 12 12 1 12 1 12 12 12 1 1 12 1 14 1 1.0078250 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 1.0078250 12.0000000 15.9949146 18.9984033 18.9984033 18.9984033 1.0078250 12.0000000 12.0000000 12.0000000 12.0000000 1.0078250 12.0000000 1.0078250 1.0078250 15.9949146 14.0030740 18.9984033 12.0000000 12.0000000 1.0078250 12.0000000 1.0078250 12.0000000 12.0000000 12.0000000 1.0078250 1.0078250 12.0000000 1.0078250 14.0030740 1.0078250 1 0 0 0 0 0 0 1 0 0 1 1 1 1 0 0 0 0 1 0 1 1 0 2 1 0 0 1 0 1 0 0 0 1 1 0 1 2 1 1.0000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 1.0000000 3.6000000 5.6000000 6.7500000 6.7500000 6.7500000 1.0000000 3.6000000 3.6000000 3.6000000 3.6000000 1.0000000 3.6000000 1.0000000 1.0000000 5.6000000 4.5500000 6.7500000 3.6000000 3.6000000 1.0000000 3.6000000 1.0000000 3.6000000 3.6000000 3.6000000 1.0000000 1.0000000 3.6000000 1.0000000 4.5500000 1.0000000 (Enter /usr/local/gaussian/gaussian16/g16/l101.exe) Structure from the checkpoint file: "/home/mleiferm/archivo/herbicides/group12/picolinafen/gaussian/gas/CONF2/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 1 2 2 3 3 4 4 4 5 5 6 6 7 7 9 10 15 15 15 16 16 17 17 18 18 20 23 24 24 24 25 26 26 27 27 29 29 31 32 32 33 2 3 9 4 5 11 12 13 6 22 7 14 8 9 10 16 20 36 38 17 38 18 35 19 20 21 36 31 36 37 26 27 33 28 29 30 31 32 33 39 34 1.0808 1.3909 1.3922 1.5045 1.3974 1.3487 1.3518 1.363 1.3899 1.0827 1.395 1.0833 1.0828 1.3881 1.3886 1.369 1.3869 1.513 1.3454 1.4013 1.3159 1.3852 1.0817 1.0838 1.3987 1.0812 1.2224 1.4078 1.3638 1.014 1.3578 1.3862 1.3844 1.0825 1.3894 1.0841 1.4025 1.4016 1.3933 1.0789 1.0828 calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|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 1 1 3 2 2 4 3 3 3 11 11 12 3 3 6 5 5 7 6 6 8 2 2 7 9 20 20 36 10 10 17 16 16 18 17 17 19 15 15 18 31 31 36 25 25 27 26 26 28 27 27 30 24 24 29 31 31 33 26 26 32 15 15 23 15 2 2 2 3 3 3 4 4 4 4 4 4 5 5 5 6 6 6 7 7 7 9 9 9 10 15 15 15 16 16 16 17 17 17 18 18 18 20 20 20 24 24 24 26 26 26 27 27 27 29 29 29 31 31 31 32 32 32 33 33 33 36 36 36 38 3 9 9 4 5 5 11 12 13 12 13 13 6 22 22 7 14 14 8 9 9 7 10 10 16 36 38 38 17 38 38 18 35 35 19 20 20 18 21 21 36 37 37 27 33 33 28 29 29 30 31 31 29 32 32 33 39 39 32 34 34 23 24 24 16 121.0678 120.2752 118.6566 120.1156 121.0251 118.8313 112.7598 112.0651 111.2102 107.4586 106.6831 106.2846 119.3376 120.0057 120.6549 120.3212 119.9529 119.7258 121.4921 119.4394 119.0684 121.2148 121.088 117.5911 119.8209 119.8631 122.8686 117.2664 116.5715 119.6259 123.7983 117.3134 119.8989 122.7874 119.9133 119.8019 120.2848 117.837 119.4096 122.753 129.201 117.1074 113.6834 118.952 119.1427 121.9051 120.0391 118.6244 121.3352 119.2356 120.7098 120.0494 117.201 123.2507 119.548 119.7091 119.7882 120.5019 119.5032 119.6149 120.8819 121.1832 112.7756 126.0398 118.379 calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|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 1 1 9 9 1 1 3 3 2 2 2 5 5 5 2 2 4 4 3 3 22 22 5 5 14 14 6 6 8 8 2 7 9 9 36 36 38 38 20 20 38 38 20 36 10 10 38 38 10 17 16 16 35 35 17 17 19 19 36 36 37 37 31 31 37 37 25 25 33 33 25 25 27 27 26 26 28 28 27 27 30 30 24 24 29 29 31 31 39 39 2 2 2 2 2 2 2 2 3 3 3 3 3 3 3 3 3 3 5 5 5 5 6 6 6 6 7 7 7 7 9 9 10 10 15 15 15 15 15 15 15 15 15 15 16 16 16 16 16 16 17 17 17 17 18 18 18 18 24 24 24 24 24 24 24 24 26 26 26 26 26 26 26 26 27 27 27 27 29 29 29 29 31 31 31 31 32 32 32 32 3 3 3 3 9 9 9 9 4 4 4 4 4 4 5 5 5 5 6 6 6 6 7 7 7 7 9 9 9 9 10 10 16 16 20 20 20 20 36 36 36 36 38 38 17 17 17 17 38 38 18 18 18 18 20 20 20 20 31 31 31 31 36 36 36 36 27 27 27 27 33 33 33 33 29 29 29 29 31 31 31 31 32 32 32 32 33 33 33 33 4 5 4 5 7 10 7 10 11 12 13 11 12 13 6 22 6 22 7 14 7 14 8 9 8 9 2 10 2 10 16 16 17 38 18 21 18 21 23 24 23 24 16 16 18 35 18 35 15 15 19 20 19 20 15 21 15 21 29 32 29 32 15 23 15 23 28 29 28 29 32 34 32 34 30 31 30 31 24 32 24 32 33 39 33 39 26 34 26 34 2.3464 -179.601 -177.4105 0.6421 179.5161 3.3516 -0.725 -176.8895 -15.3277 -136.7352 104.4577 166.5772 45.1697 -73.6375 -0.028 179.4785 178.0491 -2.4443 -0.5207 179.6258 179.9761 0.1225 -179.7064 0.4418 0.1475 -179.7043 0.1906 176.4847 -179.6648 -3.3707 -63.9706 119.7304 178.1116 -2.6188 179.0816 -0.6831 -0.4026 179.8327 2.8228 -176.7683 -177.6645 2.7443 0.2533 -179.2435 178.8248 -0.9838 -0.4112 179.7802 -179.0456 0.1683 -179.8698 0.2391 -0.0671 -179.9582 0.1381 179.8944 -179.7526 0.0036 -173.0475 7.1367 5.8363 -173.9794 178.2779 -1.2896 -0.6372 179.7954 -0.3719 -179.9519 179.4842 -0.0958 -179.9891 0.0168 0.1551 -179.839 179.0795 -0.091 -0.4948 -179.6653 -179.6078 0.2151 1.2284 -178.9487 179.6573 -0.6524 -0.1544 179.5359 -0.0268 179.9672 -179.7148 0.2792 calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|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. 0.00004 0.00224 0.00306 0.00564 0.00865 0.01385 0.01539 0.01613 0.01723 0.01740 0.01770 0.01783 0.01811 0.01861 0.01979 0.02025 0.02238 0.02264 0.02350 0.02367 0.02425 0.02481 0.02556 0.02584 0.02613 0.02627 0.02826 0.02910 0.02936 0.02985 0.03155 0.04197 0.04649 0.05707 0.10439 0.10575 0.10863 0.10951 0.11212 0.11599 0.11727 0.11783 0.11838 0.12051 0.12378 0.12445 0.12995 0.13133 0.16842 0.17841 0.18286 0.18362 0.18521 0.18842 0.19187 0.19380 0.19746 0.20133 0.20618 0.21425 0.21972 0.21980 0.22248 0.23101 0.23391 0.24695 0.26179 0.26337 0.28461 0.29885 0.31563 0.32463 0.32682 0.33596 0.34181 0.34772 0.35493 0.35717 0.35774 0.36001 0.36030 0.36130 0.36222 0.36327 0.36398 0.36582 0.36903 0.37859 0.38626 0.39372 0.40258 0.41236 0.41483 0.43101 0.43409 0.44060 0.45615 0.46665 0.46772 0.46871 0.47046 0.47249 0.48330 0.50270 0.50711 0.51235 0.51423 0.54072 0.55897 0.78957 1.03065 Angle between quadratic step and forces= 83.55 degrees. 1 2 0.00030768 0.00000008 0.00000008 0.00000000 R1 R2 R3 R4 R5 R6 R7 R8 R9 R10 R11 R12 R13 R14 R15 R16 R17 R18 R19 R20 R21 R22 R23 R24 R25 R26 R27 R28 R29 R30 R31 R32 R33 R34 R35 R36 R37 R38 R39 R40 R41 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 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 2.04240 2.62850 2.63097 2.84301 2.64069 2.54861 2.55445 2.57573 2.62655 2.04607 2.63620 2.04706 2.04628 2.62309 2.62414 2.58697 2.62086 2.85907 2.54244 2.64800 2.48666 2.61768 2.04413 2.04812 2.64318 2.04310 2.31001 2.66037 2.57719 1.91615 2.56594 2.61952 2.61613 2.04560 2.62550 2.04861 2.65041 2.64869 2.63289 2.03886 2.04611 2.11303 2.09920 2.07095 2.09641 2.11229 2.07400 1.96803 1.95591 1.94098 1.87551 1.86197 1.85502 2.08283 2.09449 2.10582 2.10000 2.09357 2.08961 2.12044 2.08461 2.07814 2.11560 2.11338 2.05235 2.09127 2.09201 2.14446 2.04668 2.03456 2.08787 2.16069 2.04751 2.09263 2.14304 2.09288 2.09094 2.09937 2.05664 2.08409 2.14244 2.25498 2.04391 1.98415 2.07610 2.07943 2.12764 2.09508 2.07039 2.11770 2.08105 2.10678 2.09526 2.04554 2.15113 2.08651 2.08932 2.09070 2.10316 2.08572 2.08767 2.10979 2.11505 1.96831 2.19981 2.06610 0.04095 -3.13463 -3.09640 0.01121 3.13315 0.05850 -0.01265 -3.08730 -0.26752 -2.38648 1.82313 2.90732 0.78836 -1.28522 -0.00049 3.13249 3.10754 -0.04266 -0.00909 3.13506 3.14118 0.00214 -3.13647 0.00771 0.00257 -3.13643 0.00333 3.08024 -3.13574 -0.05883 -1.11650 2.08969 3.10863 -0.04571 3.12556 -0.01192 -0.00703 3.13867 0.04927 -3.08519 -3.10083 0.04790 0.00442 -3.12839 3.12108 -0.01717 -0.00718 3.13776 -3.12494 0.00294 -3.13932 0.00417 -0.00117 -3.14086 0.00241 3.13975 -3.13727 0.00006 -3.02025 0.12456 0.10186 -3.03651 3.11154 -0.02251 -0.01112 3.13802 -0.00649 -3.14075 3.13259 -0.00167 -3.14140 0.00029 0.00271 -3.13878 3.12553 -0.00159 -0.00864 -3.13575 -3.13475 0.00375 0.02144 -3.12324 3.13561 -0.01139 -0.00269 3.13349 -0.00047 3.14102 -3.13662 0.00487 0.00000 -0.00000 0.00000 0.00001 -0.00000 0.00000 -0.00001 0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00001 -0.00001 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00001 0.00000 0.00001 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00001 0.00000 0.00001 -0.00000 0.00000 -0.00001 -0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00001 0.00001 0.00000 -0.00001 0.00001 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00001 -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 -0.00001 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 0.00001 0.00000 0.00001 0.00001 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00001 -0.00001 0.00003 -0.00002 0.00001 -0.00003 0.00002 0.00002 0.00000 -0.00001 0.00000 0.00000 0.00002 -0.00001 0.00001 -0.00001 -0.00001 0.00001 0.00002 -0.00002 -0.00001 -0.00000 0.00000 0.00001 0.00000 0.00001 0.00001 0.00001 0.00000 0.00001 0.00000 0.00001 0.00000 0.00001 -0.00000 -0.00001 0.00001 0.00000 -0.00000 0.00000 0.00001 -0.00002 0.00001 -0.00009 0.00000 0.00008 -0.00002 0.00003 -0.00002 0.00001 -0.00001 0.00001 -0.00001 0.00002 -0.00001 0.00001 -0.00001 -0.00001 -0.00001 -0.00000 0.00002 -0.00001 -0.00001 0.00002 0.00001 -0.00000 0.00000 0.00000 -0.00002 0.00002 0.00000 -0.00001 0.00002 -0.00001 0.00000 0.00001 -0.00001 -0.00001 0.00002 -0.00002 -0.00001 0.00001 -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 -0.00001 -0.00000 0.00001 -0.00000 -0.00002 0.00000 0.00002 0.00000 0.00004 0.00001 0.00002 -0.00001 -0.00005 -0.00002 -0.00003 0.00000 -0.00066 -0.00068 -0.00070 -0.00063 -0.00065 -0.00067 0.00004 0.00005 0.00000 0.00001 -0.00003 -0.00005 -0.00004 -0.00006 0.00001 -0.00001 0.00002 0.00001 0.00003 0.00000 0.00002 -0.00001 -0.00013 -0.00010 0.00012 0.00007 0.00004 0.00001 0.00003 0.00000 0.00005 0.00005 0.00006 0.00006 0.00000 -0.00000 0.00001 -0.00000 0.00006 0.00005 0.00001 -0.00005 -0.00000 -0.00003 0.00001 -0.00001 -0.00002 0.00002 -0.00004 -0.00001 0.00016 0.00019 0.00028 0.00031 0.00009 0.00009 -0.00003 -0.00002 -0.00000 0.00000 -0.00001 0.00000 0.00001 0.00001 0.00001 0.00001 0.00001 -0.00001 0.00001 -0.00001 0.00004 0.00001 0.00003 -0.00000 -0.00004 -0.00007 -0.00000 -0.00004 -0.00001 -0.00001 0.00003 0.00003 0.00000 0.00001 -0.00001 0.00003 -0.00002 0.00001 -0.00003 0.00002 0.00002 0.00000 -0.00001 0.00000 0.00000 0.00002 -0.00001 0.00001 -0.00001 -0.00001 0.00001 0.00002 -0.00002 -0.00001 -0.00000 0.00000 0.00001 0.00000 0.00001 0.00001 0.00001 0.00000 0.00001 0.00000 0.00001 0.00000 0.00001 -0.00000 -0.00001 0.00001 0.00000 -0.00000 0.00000 0.00001 -0.00002 0.00001 -0.00009 0.00000 0.00008 -0.00002 0.00003 -0.00002 0.00001 -0.00001 0.00001 -0.00001 0.00002 -0.00001 0.00001 -0.00001 -0.00001 -0.00001 -0.00000 0.00002 -0.00001 -0.00001 0.00002 0.00001 -0.00000 0.00000 0.00000 -0.00002 0.00002 0.00000 -0.00001 0.00002 -0.00001 0.00000 0.00001 -0.00001 -0.00001 0.00002 -0.00002 -0.00001 0.00001 -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 -0.00001 -0.00000 0.00001 -0.00000 -0.00002 0.00000 0.00002 0.00000 0.00004 0.00001 0.00002 -0.00001 -0.00005 -0.00002 -0.00003 0.00000 -0.00066 -0.00068 -0.00070 -0.00063 -0.00065 -0.00067 0.00004 0.00005 0.00000 0.00001 -0.00003 -0.00005 -0.00004 -0.00006 0.00001 -0.00001 0.00002 0.00001 0.00003 0.00000 0.00002 -0.00001 -0.00013 -0.00010 0.00012 0.00007 0.00004 0.00001 0.00003 0.00000 0.00005 0.00005 0.00006 0.00006 0.00000 -0.00000 0.00001 -0.00000 0.00006 0.00005 0.00001 -0.00005 -0.00000 -0.00003 0.00001 -0.00001 -0.00002 0.00002 -0.00004 -0.00001 0.00016 0.00019 0.00028 0.00031 0.00009 0.00009 -0.00003 -0.00002 -0.00000 0.00000 -0.00001 0.00000 0.00001 0.00001 0.00001 0.00001 0.00001 -0.00001 0.00001 -0.00001 0.00004 0.00001 0.00003 -0.00000 -0.00004 -0.00007 -0.00000 -0.00004 -0.00001 -0.00001 0.00003 0.00003 2.04240 2.62852 2.63096 2.84304 2.64067 2.54862 2.55442 2.57575 2.62657 2.04607 2.63619 2.04707 2.04628 2.62310 2.62413 2.58698 2.62085 2.85907 2.54245 2.64802 2.48664 2.61767 2.04413 2.04812 2.64319 2.04310 2.31002 2.66038 2.57720 1.91615 2.56594 2.61952 2.61614 2.04560 2.62550 2.04860 2.65041 2.64870 2.63289 2.03886 2.04611 2.11304 2.09918 2.07096 2.09632 2.11229 2.07408 1.96801 1.95594 1.94097 1.87551 1.86196 1.85503 2.08282 2.09451 2.10582 2.10002 2.09356 2.08960 2.12043 2.08461 2.07815 2.11559 2.11337 2.05237 2.09128 2.09200 2.14446 2.04669 2.03453 2.08788 2.16069 2.04750 2.09265 2.14303 2.09288 2.09095 2.09935 2.05664 2.08412 2.14242 2.25497 2.04392 1.98415 2.07611 2.07943 2.12765 2.09509 2.07039 2.11769 2.08105 2.10678 2.09526 2.04554 2.15113 2.08651 2.08932 2.09070 2.10315 2.08572 2.08768 2.10979 2.11502 1.96831 2.19983 2.06611 0.04100 -3.13462 -3.09638 0.01120 3.13310 0.05848 -0.01268 -3.08730 -0.26818 -2.38716 1.82243 2.90669 0.78771 -1.28589 -0.00045 3.13254 3.10755 -0.04265 -0.00912 3.13501 3.14114 0.00208 -3.13646 0.00770 0.00260 -3.13642 0.00336 3.08024 -3.13572 -0.05884 -1.11663 2.08959 3.10875 -0.04564 3.12560 -0.01192 -0.00700 3.13867 0.04932 -3.08514 -3.10078 0.04795 0.00442 -3.12839 3.12109 -0.01718 -0.00712 3.13780 -3.12493 0.00289 -3.13932 0.00415 -0.00116 -3.14088 0.00240 3.13976 -3.13731 0.00006 -3.02009 0.12475 0.10214 -3.03620 3.11163 -0.02241 -0.01115 3.13800 -0.00649 -3.14075 3.13258 -0.00167 -3.14139 0.00030 0.00272 -3.13877 3.12553 -0.00160 -0.00862 -3.13576 -3.13470 0.00377 0.02147 -3.12325 3.13557 -0.01146 -0.00270 3.13345 -0.00047 3.14101 -3.13659 0.00490 |Maximum Force|RMS Force|Maximum Displacement|RMS Displacement| 0.000014 0.000003 0.001624 0.000308 0.000450 0.000300 0.001800 0.001200 YES YES YES YES -4.253611e-09 Optimization completed. -- Stationary point found. R1 R2 R3 R4 R5 R6 R7 R8 R9 R10 R11 R12 R13 R14 R15 R16 R17 R18 R19 R20 R21 R22 R23 R24 R25 R26 R27 R28 R29 R30 R31 R32 R33 R34 R35 R36 R37 R38 R39 R40 R41 1 2 2 3 3 4 4 4 5 5 6 6 7 7 9 10 15 15 15 16 16 17 17 18 18 20 23 24 24 24 25 26 26 27 27 29 29 31 32 32 33 2 3 9 4 5 11 12 13 6 22 7 14 8 9 10 16 20 36 38 17 38 18 35 19 20 21 36 31 36 37 26 27 33 28 29 30 31 32 33 39 34 1.0808 1.3909 1.3922 1.5045 1.3974 1.3487 1.3518 1.363 1.3899 1.0827 1.395 1.0833 1.0828 1.3881 1.3886 1.369 1.3869 1.513 1.3454 1.4013 1.3159 1.3852 1.0817 1.0838 1.3987 1.0812 1.2224 1.4078 1.3638 1.014 1.3578 1.3862 1.3844 1.0825 1.3894 1.0841 1.4025 1.4016 1.3933 1.0789 1.0828 -DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-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 1 1 3 2 2 4 3 3 3 11 11 12 3 3 6 5 5 7 6 6 8 2 2 7 9 20 20 36 10 10 17 16 16 18 17 17 19 15 15 18 31 31 36 25 25 27 26 26 28 27 27 30 24 24 29 31 31 33 26 26 32 15 15 23 15 2 2 2 3 3 3 4 4 4 4 4 4 5 5 5 6 6 6 7 7 7 9 9 9 10 15 15 15 16 16 16 17 17 17 18 18 18 20 20 20 24 24 24 26 26 26 27 27 27 29 29 29 31 31 31 32 32 32 33 33 33 36 36 36 38 3 9 9 4 5 5 11 12 13 12 13 13 6 22 22 7 14 14 8 9 9 7 10 10 16 36 38 38 17 38 38 18 35 35 19 20 20 18 21 21 36 37 37 27 33 33 28 29 29 30 31 31 29 32 32 33 39 39 32 34 34 23 24 24 16 121.0678 120.2752 118.6566 120.1156 121.0251 118.8313 112.7598 112.0651 111.2102 107.4586 106.6831 106.2846 119.3376 120.0057 120.6549 120.3212 119.9529 119.7258 121.4921 119.4394 119.0684 121.2148 121.088 117.5911 119.8209 119.8631 122.8686 117.2664 116.5715 119.6259 123.7983 117.3134 119.8989 122.7874 119.9133 119.8019 120.2848 117.837 119.4096 122.753 129.201 117.1074 113.6834 118.952 119.1427 121.9051 120.0391 118.6244 121.3352 119.2356 120.7098 120.0494 117.201 123.2507 119.548 119.7091 119.7882 120.5019 119.5032 119.6149 120.8819 121.1832 112.7756 126.0398 118.379 -DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-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 1 1 9 9 1 1 3 3 2 2 2 5 5 5 2 2 4 4 3 3 22 22 5 5 14 14 6 6 8 8 2 7 9 9 36 36 38 38 20 20 38 38 20 36 10 10 38 38 10 17 16 16 35 35 17 17 19 19 36 36 37 37 31 31 37 37 25 25 33 33 25 25 27 27 26 26 28 28 27 27 30 30 24 24 29 29 31 31 39 2 2 2 2 2 2 2 2 3 3 3 3 3 3 3 3 3 3 5 5 5 5 6 6 6 6 7 7 7 7 9 9 10 10 15 15 15 15 15 15 15 15 15 15 16 16 16 16 16 16 17 17 17 17 18 18 18 18 24 24 24 24 24 24 24 24 26 26 26 26 26 26 26 26 27 27 27 27 29 29 29 29 31 31 31 31 32 32 32 3 3 3 3 9 9 9 9 4 4 4 4 4 4 5 5 5 5 6 6 6 6 7 7 7 7 9 9 9 9 10 10 16 16 20 20 20 20 36 36 36 36 38 38 17 17 17 17 38 38 18 18 18 18 20 20 20 20 31 31 31 31 36 36 36 36 27 27 27 27 33 33 33 33 29 29 29 29 31 31 31 31 32 32 32 32 33 33 33 4 5 4 5 7 10 7 10 11 12 13 11 12 13 6 22 6 22 7 14 7 14 8 9 8 9 2 10 2 10 16 16 17 38 18 21 18 21 23 24 23 24 16 16 18 35 18 35 15 15 19 20 19 20 15 21 15 21 29 32 29 32 15 23 15 23 28 29 28 29 32 34 32 34 30 31 30 31 24 32 24 32 33 39 33 39 26 34 26 2.3464 -179.601 -177.4105 0.6421 179.5161 3.3516 -0.725 -176.8895 -15.3277 -136.7352 104.4577 166.5772 45.1697 -73.6375 -0.028 179.4785 178.0491 -2.4443 -0.5207 179.6258 179.9761 0.1225 -179.7064 0.4418 0.1475 -179.7043 0.1906 176.4847 -179.6648 -3.3707 -63.9706 119.7304 178.1116 -2.6188 179.0816 -0.6831 -0.4026 179.8327 2.8228 -176.7683 -177.6645 2.7443 0.2533 -179.2435 178.8248 -0.9838 -0.4112 179.7802 -179.0456 0.1683 -179.8698 0.2391 -0.0671 -179.9582 0.1381 179.8944 -179.7526 0.0036 -173.0475 7.1367 5.8363 -173.9794 178.2779 -1.2896 -0.6372 179.7954 -0.3719 -179.9519 179.4842 -0.0958 -179.9891 0.0168 0.1551 -179.839 179.0795 -0.091 -0.4948 -179.6653 -179.6078 0.2151 1.2284 -178.9487 179.6573 -0.6524 -0.1544 179.5359 -0.0268 179.9672 -179.7148 -DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0 1 6-311+G(d,p) (5D, 7F) 0.10000e-02 0.10000e-05 F 693 A 666 A 666 1068 693 96 96 2398.2185484315 39 39 39 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 -0.0385030979 0.000000 1.080790 0.000000 2.157409 1.390944 0.000000 2.729883 2.509590 1.504457 0.000000 3.410464 2.427149 1.397394 2.498743 0.000000 3.876123 2.795369 2.405785 3.776098 1.389912 0.000000 3.399042 2.422436 2.778899 4.282709 2.415714 1.395017 0.000000 4.278204 3.393274 3.861490 5.365301 3.405273 2.167216 1.082844 0.000000 2.150277 1.392248 2.393835 3.778665 2.778983 2.403396 1.388077 2.135381 0.000000 2.667169 2.421408 3.675674 4.930884 4.165852 3.654697 2.374988 2.573871 1.388634 0.000000 2.417566 2.743882 2.377439 1.348668 3.646569 4.776684 4.977704 6.028579 4.132823 5.005668 0.000000 3.852915 3.543616 2.370353 1.351758 2.849717 4.194998 4.961153 6.020375 4.688406 5.899274 2.177167 0.000000 3.525096 3.330368 2.367485 1.363018 3.061613 4.318473 4.915958 5.966256 4.503920 5.652651 2.175355 2.172178 0.000000 4.959344 3.878610 3.389986 4.643924 2.146811 1.083260 2.148987 2.497869 3.384615 4.521292 5.740937 4.875438 5.081379 0.000000 3.915872 4.233981 5.303399 6.002234 6.081920 5.954722 5.016393 5.288709 4.056607 3.544291 5.818112 7.324234 6.029649 6.817098 0.000000 2.967612 3.060056 4.370726 5.438032 5.029962 4.642159 3.424888 3.585489 2.386013 1.368966 5.349178 6.584781 5.936799 5.519330 2.285736 0.000000 4.115260 4.351124 5.704601 6.729524 6.371504 5.897732 4.591636 4.533474 3.640948 2.356637 6.496991 7.855987 7.267747 6.716035 2.734902 1.401259 0.000000 4.940463 5.310490 6.631024 7.514605 7.373112 6.979506 5.730760 5.690973 4.765132 3.611867 7.190768 8.733509 7.876307 7.800735 2.385699 2.379851 1.385218 0.000000 5.909772 6.314511 7.658281 8.535799 8.398280 7.957881 6.666423 6.537295 5.733057 4.494239 8.150921 9.736295 8.930310 8.752006 3.376202 3.371948 2.142634 1.083819 0.000000 4.871627 5.276837 6.473091 7.206675 7.261293 7.018141 5.923923 6.027828 4.948593 4.092118 6.900539 8.507723 7.335945 7.858800 1.386899 2.723546 2.408554 1.398712 2.158713 0.000000 5.789219 6.245276 7.390124 8.021650 8.199511 7.999195 6.947040 7.045675 5.990467 5.171980 7.666098 9.347352 8.035615 8.825361 2.136592 3.803172 3.405532 2.182109 2.530348 1.081162 0.000000 4.301178 3.404130 2.153669 2.691781 1.082734 2.153780 3.400500 4.308148 3.861681 5.248412 3.991614 2.616810 3.042710 2.482830 7.011433 6.092373 7.444791 8.418422 9.454008 8.240029 9.143950 0.000000 5.670185 6.044471 6.817692 7.166164 7.595975 7.668026 6.981694 7.318406 6.137117 5.867127 6.954768 8.511592 6.767503 8.466297 2.387154 4.665669 5.006512 4.236165 4.921908 2.841342 2.530128 8.346748 0.000000 4.072718 4.240079 4.734864 5.052372 5.454471 5.703332 5.291936 5.849965 4.552268 4.772170 5.087810 6.372268 4.564077 6.512793 2.397188 3.973225 4.919190 4.780716 5.764219 3.675431 4.028743 6.118362 2.305618 0.000000 8.408621 8.431279 8.018125 7.485988 8.389338 9.128182 9.489850 10.211473 9.154498 9.884275 7.778935 8.261415 6.179000 9.612141 7.888921 9.388462 10.441931 10.261660 11.180089 9.028125 9.042026 8.324722 6.563456 5.533649 0.000000 7.201682 7.246828 6.965023 6.561411 7.411936 8.085833 8.325738 9.031494 7.923610 8.587193 6.818514 7.484206 5.329387 8.641431 6.533510 8.047720 9.086527 8.908958 9.836190 7.687770 7.740869 7.485551 5.297570 4.175974 1.357834 0.000000 6.128336 6.084128 5.671152 5.250988 6.084789 6.837938 7.180551 7.955555 6.825029 7.626613 5.633941 6.142334 3.994749 7.404375 6.072103 7.260759 8.421440 8.443022 9.439941 7.349806 7.593987 6.120168 5.349117 3.685000 2.363793 1.386191 0.000000 6.419031 6.288873 5.643248 5.070367 5.938385 6.814424 7.355601 8.185288 7.107941 8.056204 5.588693 5.755329 3.726551 7.307554 6.898415 7.854470 9.090595 9.235787 10.261126 8.218873 8.538941 5.785535 6.373539 4.557884 2.597540 2.143737 1.082487 0.000000 4.897861 4.872038 4.664013 4.474444 5.193439 5.843493 6.006086 6.766808 5.549037 6.273450 4.808617 5.564541 3.417843 6.515653 4.745935 5.872223 7.036246 7.099298 8.114922 6.060982 6.399120 5.444485 4.344881 2.398785 3.624370 2.386860 1.389353 2.160168 0.000000 4.100437 3.957960 3.613051 3.463057 4.134973 4.870975 5.127729 5.967500 4.709774 5.585792 3.951562 4.555963 2.460477 5.577722 4.688785 5.391575 6.661244 6.930342 7.987606 6.060811 6.568665 4.390536 4.829734 2.607957 4.498887 3.368761 2.139334 2.481863 1.084075 0.000000 4.989641 5.109469 5.272972 5.295226 5.909253 6.345406 6.203893 6.835529 5.601052 6.027203 5.419359 6.522565 4.464535 7.072523 3.773603 5.340995 6.325456 6.156097 7.110341 4.981853 5.175563 6.361055 2.974643 1.407805 4.127547 2.769714 2.426457 3.414668 1.402537 2.159874 0.000000 6.292510 6.480485 6.669385 6.616315 7.290878 7.699080 7.529788 8.093373 6.930103 7.240208 6.662939 7.814585 5.706236 8.382021 4.524516 6.409179 7.227034 6.822265 7.668663 5.511860 5.431808 7.701696 2.934159 2.471906 3.635339 2.399488 2.803395 3.885712 2.422928 3.406899 1.401627 0.000000 7.289555 7.433144 7.406460 7.161202 7.948369 8.477246 8.495350 9.110312 7.987527 8.439443 7.277987 8.232986 6.065064 9.088835 5.899472 7.701152 8.581737 8.211724 9.059845 6.903619 6.798484 8.190838 4.280154 3.728605 2.364558 1.384399 2.422099 3.396492 2.783809 3.867789 2.416896 1.393265 0.000000 8.293918 8.473950 8.482900 8.222858 9.025905 9.528537 9.515282 10.091553 8.999311 9.382867 8.293208 9.285892 7.119414 10.122682 6.633812 8.567806 9.356813 8.865612 9.643130 7.510422 7.265312 9.263315 4.743383 4.624009 2.592279 2.137850 3.394084 4.275603 3.866337 4.950255 3.405429 2.159201 1.082755 0.000000 4.610576 4.788751 6.142049 7.233572 6.733916 6.155919 4.797448 4.605581 3.955652 2.568924 6.999597 8.253252 7.919173 6.917885 3.815166 2.155165 1.081708 2.170659 2.511656 3.408218 4.333434 7.816411 6.079812 5.952546 11.454477 10.102897 9.381227 9.999056 7.992078 7.538731 7.353783 8.293074 9.639525 10.429090 0.000000 4.532041 4.841390 5.626071 6.066200 6.398067 6.468696 5.790826 6.184072 4.936142 4.761821 5.927968 7.413203 5.758873 7.295129 1.512956 3.655053 4.247436 3.781473 4.664707 2.510409 2.696718 7.180337 1.222404 1.363792 6.519876 5.179686 4.915269 5.850921 3.709938 3.963316 2.503764 3.043641 4.431209 5.128009 5.326988 0.000000 3.221368 3.265656 3.770982 4.241805 4.484516 4.725849 4.324812 4.951747 3.585329 3.952947 4.382866 5.560699 3.912545 5.576318 2.402531 3.364217 4.505228 4.653667 5.706453 3.786341 4.381289 5.206368 3.142697 1.013984 6.027779 4.694193 3.922720 4.618616 2.536824 2.303803 2.076290 3.354675 4.491675 5.461063 5.466867 1.999759 0.000000 2.855579 2.998024 4.130780 5.019064 4.861833 4.685834 3.714707 4.066807 2.711220 2.320905 4.967529 6.286858 5.234590 5.585116 1.345401 1.315882 2.397181 2.772277 3.856089 2.399778 3.362195 5.844385 3.557129 2.658639 8.108632 6.761030 6.037522 6.702556 4.650275 4.290711 4.034631 5.095618 6.385736 7.254533 3.356767 2.442174 2.115622 0.000000 6.670278 6.930685 7.304053 7.357595 7.968972 8.260609 7.925444 8.396160 7.260097 7.370844 7.305663 8.611996 6.564362 8.963859 4.278394 6.381471 7.011026 6.414474 7.159881 5.041909 4.775847 8.477780 2.253194 2.720253 4.512626 3.381478 3.882292 4.964607 3.400519 4.298779 2.152015 1.078917 2.152026 2.496637 8.091994 2.773152 3.717485 5.105714 0.000000 C19H12F4N2O2 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 0 364.20911279999984 AuxInfo=1/0/N:2;3;4;5;6;7;9;15;16;17;18;20;26;27;29;31;32;33;36;11;12;13;25;24;38;10;23;1;8;14;19;21;22;28;30;34;35;37;39/rA:39nH0C0C0C0C0C0C0H0C0O0F0F0F0H0C0C0C0C0H0C0H0H0O0N0F0C0C0H0C0H0C0C0C0H0H0C0H0N0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:-2.0456,-.6867,-1.3212;-2.2266,-1.13,-.3522;-1.7238,-2.3869,-.0327;-.8691,-3.1318,-1.0216;-1.9653,-2.9627,1.2174;-2.7195,-2.2657,2.154;-3.2211,-.9993,1.8528;-3.8068,-.4376,2.5697;-2.9684,-.4443,.6058;-3.5479,.7847,.3195;-.9476,-2.6215,-2.2675;-1.2025,-4.4396,-1.0973;.4458,-3.0927,-.6648;-2.918,-2.7052,3.124;-.6874,2.8115,-.2022;-2.7532,1.8604,.0271;-3.4098,3.0567,-.2912;-2.6205,4.1616,-.5652;-3.0845,5.1089,-.8142;-1.2271,4.0486,-.5213;-.5661,4.8787,-.7282;-1.5731,-3.9458,1.4457;1.5695,3.5738,-.3567;1.186,1.3461,.0972;6.1654,-1.0409,.4563;4.9515,-.4393,.3651;3.8091,-1.2233,.4083;3.8928,-2.298,.5072;2.5707,-.6007,.3134;1.6713,-1.2057,.3309;2.4777,.7922,.1786;3.6481,1.5621,.1349;4.8897,.937,.2289;5.8059,1.5132,.1968;-4.4909,3.0894,-.3119;.8144,2.6324,-.1621;.4035,.7154,.2322;-1.4442,1.7331,.0706;3.5813,2.6332,.0237; 0.1954568 0.1498107 0.0945140 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= 666 RedAO= T EigKep= 1.10D-06 NBF= 666 NBsUse= 663 1.00D-06 EigRej= 9.62D-07 NBFU= 663 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= 682 682 682 682 682 MxSgAt= 39 MxSgA2= 39. 1 Closed 1 1 1 -1391.02803824623 -1391.02803824624 -0.000000000008 -1391.02803825 2 1.385939371973e+03 -8.057398636775e+03 2.882251181222e+03 Using DIIS extrapolation, IDIIS= 1040. NGot= 11324620800 LenX= 11323647452 LenY= 11323166510 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= 39. Will process 40 centers per pass. Symmetrizing basis deriv contribution to polar: IMax=3 JMax=2 DiffMx= 0.00D+00 Minotr: Closed shell wavefunction. IDoAtm=111111111111111111111111111111111111111 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. 12064 words used for storage of precomputed grid. Two-electron integrals replicated using symmetry. MDV= 11324620800 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= 117 IRICut= 292 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= 117 NMatS0= 117 NMatT0= 0 NMatD0= 117 NMtDS0= 0 NMtDT0= 0 Integrals replicated using symmetry in FoFCou. Raff kept on since 74.02% of shell-pairs survive, threshold= 0.20 IRatSp=74. There are 120 degrees of freedom in the 1st order CPHF. IDoFFX=6 NUNeed= 3. 117 vectors produced by pass 0 Test12= 5.44D-14 1.00D-09 XBig12= 3.49D+02 6.98D+00. AX will form 117 AO Fock derivatives at one time. 117 vectors produced by pass 1 Test12= 5.44D-14 1.00D-09 XBig12= 9.97D+01 2.32D+00. 117 vectors produced by pass 2 Test12= 5.44D-14 1.00D-09 XBig12= 8.32D-01 8.76D-02. 117 vectors produced by pass 3 Test12= 5.44D-14 1.00D-09 XBig12= 4.78D-03 7.10D-03. 117 vectors produced by pass 4 Test12= 5.44D-14 1.00D-09 XBig12= 1.64D-05 2.76D-04. 117 vectors produced by pass 5 Test12= 5.44D-14 1.00D-09 XBig12= 2.53D-08 9.11D-06. 56 vectors produced by pass 6 Test12= 5.44D-14 1.00D-09 XBig12= 3.34D-11 3.41D-07. 3 vectors produced by pass 7 Test12= 5.44D-14 1.00D-09 XBig12= 4.83D-14 1.57D-08. InvSVY: IOpt=1 It= 1 EMax= 1.88D-14 Solved reduced A of dimension 761 with 120 vectors. FullF1: Do perturbations 1 to 3. Isotropic polarizability for W= 0.000000 248.62 Bohr**3. End of Minotr F.D. properties file 721 does not exist. 293.637 -34.824 289.178 -8.127 -27.452 163.050 428.767 -44.827 455.462 -14.801 -46.411 269.936 (Enter /usr/local/gaussian/gaussian16/g16/l716.exe) PT42058.700S Wed Feb 8 06:11:32 2023 -24.73054 -24.72733 -24.72560 -24.68642 -19.19885 -19.10607 -14.36321 -14.34549 -10.44737 -10.30292 -10.29248 -10.27198 -10.25902 -10.24603 -10.23205 -10.23076 -10.22153 -10.21729 -10.21409 -10.21338 -10.21293 -10.21190 -10.20378 -10.19071 -10.18843 -10.18616 -10.18355 -1.33376 -1.24822 -1.24262 -1.22427 -1.12522 -1.05949 -0.98502 -0.95644 -0.90496 -0.86800 -0.83959 -0.82369 -0.80582 -0.78194 -0.76801 -0.75878 -0.73061 -0.69648 -0.68306 -0.66107 -0.64956 -0.64182 -0.63220 -0.61248 -0.60989 -0.60224 -0.59084 -0.57171 -0.55230 -0.54823 -0.53941 -0.53456 -0.51927 -0.51503 -0.49837 -0.49081 -0.48986 -0.48691 -0.47931 -0.46924 -0.46678 -0.45976 -0.45823 -0.45003 -0.44743 -0.44453 -0.43985 -0.43655 -0.43475 -0.43154 -0.42999 -0.41944 -0.40817 -0.40582 -0.40542 -0.40119 -0.39184 -0.38224 -0.36581 -0.35811 -0.32409 -0.32260 -0.31709 -0.29800 -0.29078 -0.27395 -0.27059 -0.26614 -0.23001 -0.08177 -0.06048 -0.05287 -0.03921 -0.02740 -0.01203 -0.00940 -0.00222 0.00849 0.01529 0.01804 0.02172 0.02678 0.03247 0.03476 0.03681 0.04045 0.04184 0.04343 0.05042 0.05737 0.06042 0.06145 0.06549 0.06930 0.07566 0.07766 0.08220 0.08675 0.08844 0.09176 0.09359 0.09717 0.09919 0.10329 0.10432 0.10702 0.11261 0.11380 0.11622 0.12290 0.12740 0.13128 0.13491 0.13588 0.13787 0.14007 0.14220 0.14450 0.14669 0.14908 0.15032 0.15216 0.15653 0.15891 0.16292 0.16712 0.17165 0.17335 0.17728 0.17954 0.18224 0.18401 0.18501 0.18768 0.19015 0.19338 0.19546 0.19617 0.20060 0.20449 0.20481 0.20849 0.21042 0.21331 0.21422 0.21849 0.21912 0.22178 0.22294 0.22680 0.22999 0.23186 0.23530 0.23719 0.23779 0.23931 0.24714 0.24907 0.25076 0.25281 0.25445 0.25623 0.25860 0.26180 0.26499 0.26811 0.27198 0.27615 0.27986 0.28299 0.29008 0.29215 0.29359 0.29553 0.30290 0.30565 0.30912 0.31123 0.31637 0.32074 0.32387 0.32581 0.32807 0.33295 0.33805 0.34248 0.34642 0.34882 0.35010 0.35564 0.35996 0.36119 0.36602 0.36886 0.37181 0.37570 0.37815 0.38262 0.38656 0.38924 0.39544 0.39907 0.40742 0.41180 0.41319 0.41937 0.42262 0.43257 0.43852 0.44105 0.44467 0.44658 0.45629 0.46062 0.46164 0.46853 0.47712 0.49041 0.49982 0.50299 0.50948 0.51088 0.51956 0.52746 0.53469 0.53776 0.54351 0.54702 0.55374 0.55793 0.56060 0.56523 0.57522 0.57824 0.57963 0.58359 0.59495 0.59717 0.60103 0.60566 0.61030 0.61993 0.62145 0.62643 0.63629 0.63734 0.64122 0.64739 0.65179 0.65814 0.66140 0.66598 0.67019 0.67795 0.68557 0.68858 0.69143 0.69631 0.70181 0.70625 0.71094 0.71667 0.71979 0.72295 0.72945 0.73739 0.74509 0.74806 0.75370 0.75973 0.76777 0.77338 0.77716 0.78572 0.79226 0.80152 0.80346 0.80803 0.82099 0.83246 0.83501 0.84478 0.85016 0.85436 0.86142 0.86830 0.87891 0.88158 0.88488 0.89467 0.89989 0.90632 0.91637 0.91855 0.92560 0.92777 0.94144 0.95563 0.95704 0.96910 0.97267 0.98828 0.99083 0.99827 1.00223 1.00677 1.01309 1.01821 1.02019 1.02967 1.03448 1.03603 1.04487 1.05102 1.05583 1.05860 1.06642 1.07458 1.07748 1.08266 1.08622 1.10875 1.11653 1.12075 1.13146 1.13647 1.14139 1.15376 1.16614 1.18588 1.18974 1.19790 1.22039 1.23210 1.23831 1.26464 1.28514 1.29070 1.30962 1.31663 1.32136 1.33755 1.34389 1.37104 1.37988 1.39046 1.39975 1.40472 1.42111 1.42772 1.43705 1.44433 1.44874 1.45914 1.46249 1.46739 1.48593 1.49262 1.49383 1.50080 1.51218 1.51411 1.51898 1.52847 1.53304 1.53525 1.53661 1.54021 1.54332 1.54671 1.55279 1.55646 1.55973 1.56405 1.56727 1.57104 1.57120 1.58059 1.60866 1.61183 1.62412 1.64538 1.65130 1.65514 1.66189 1.66647 1.67396 1.67815 1.68836 1.70093 1.70505 1.71482 1.72578 1.73244 1.73803 1.74283 1.75370 1.76351 1.77884 1.79098 1.80252 1.81290 1.83120 1.84561 1.87049 1.87764 1.89046 1.89302 1.89639 1.90147 1.90852 1.91676 1.91970 1.92337 1.92702 1.93573 1.94138 1.95190 1.96113 1.96274 1.97555 1.97670 1.98884 1.99278 1.99622 2.00602 2.01555 2.02003 2.02977 2.03119 2.04453 2.05277 2.05758 2.07424 2.08467 2.08779 2.09725 2.11006 2.12593 2.14560 2.16533 2.16710 2.17201 2.21751 2.21977 2.22945 2.24141 2.25589 2.27308 2.31520 2.31982 2.33271 2.34126 2.36612 2.38445 2.39428 2.41149 2.42476 2.43584 2.44182 2.45884 2.46663 2.49809 2.50299 2.54538 2.56074 2.61698 2.62481 2.63070 2.63475 2.64556 2.66125 2.67177 2.69171 2.69341 2.69864 2.70446 2.70865 2.71844 2.72167 2.72648 2.72898 2.73875 2.74549 2.75175 2.75562 2.75854 2.77146 2.77858 2.78220 2.78804 2.79554 2.79877 2.80668 2.81147 2.81887 2.84122 2.84607 2.85584 2.85914 2.87747 2.88439 2.89014 2.90456 2.92606 2.93323 2.93777 2.94540 2.95387 2.96020 2.97543 3.00869 3.02651 3.03276 3.06578 3.07457 3.08060 3.08808 3.11189 3.11997 3.15757 3.16489 3.18172 3.20703 3.23239 3.26978 3.28758 3.33928 3.34485 3.35464 3.36057 3.36986 3.39203 3.42566 3.44906 3.47117 3.49075 3.49930 3.50640 3.51612 3.55684 3.58444 3.60295 3.61366 3.66373 3.67616 3.70321 3.70999 3.73567 3.74186 3.75833 3.76633 3.76975 3.78181 3.79231 3.85404 3.87631 3.87951 3.90068 3.90576 3.92062 3.94045 3.94841 3.96798 3.97254 3.98507 3.99564 3.99770 4.02400 4.07886 4.09719 4.12280 4.12768 4.14336 4.15903 4.16986 4.17818 4.19112 4.19919 4.26778 4.47460 4.54106 4.69224 4.81906 4.84967 4.86282 4.87764 4.91213 4.93632 5.07020 5.10093 5.11955 5.22279 5.33000 5.44368 5.81344 5.90421 6.31503 6.32842 6.35364 6.37052 6.39251 6.40116 6.41850 6.45042 6.47706 6.72503 6.74017 6.75298 23.50669 23.58690 23.62454 23.68119 23.87475 23.91210 23.92038 23.92899 23.93574 23.95166 23.97179 24.04374 24.04810 24.05860 24.06464 24.10244 24.12828 24.15962 24.18668 35.63623 35.70505 49.95893 50.05384 66.74398 66.77082 66.80142 66.81802 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 H C C C C C C H C O F F F H C C C C H C H H O N F C C H C H C C C H H C H N H 0.151836 0.375015 -0.620572 0.523731 0.249904 -0.462636 0.686187 0.136362 -0.895724 0.011789 -0.116431 -0.077287 -0.032418 0.142659 -0.044173 -0.381918 -0.034396 -0.294283 0.145277 0.055132 0.162936 0.145181 -0.350518 -0.152949 -0.196264 -0.219304 -0.086926 0.138145 -0.196540 0.156932 0.159327 0.318556 -0.237027 0.138034 0.144669 -0.021066 0.321876 0.082112 0.174774 -0.00000 Mulliken charges with hydrogens summed into heavy atoms: 1 2 3 4 5 6 7 9 10 11 12 13 15 16 17 18 20 23 24 25 26 27 29 31 32 33 36 38 C C C C C C C O F F F C C C C C O N F C C C C C C C N 0.526851 -0.620572 0.523731 0.395085 -0.319977 0.822549 -0.895724 0.011789 -0.116431 -0.077287 -0.032418 -0.044173 -0.381918 0.110273 -0.149006 0.218069 -0.350518 0.168927 -0.196264 -0.219304 0.051219 -0.039609 0.159327 0.493330 -0.098993 -0.021066 0.082112 -0.00000 -2.29774867e+00 2.86344009e-01 7.66888539e-01 2.93637362e+02 -3.48239931e+01 2.89177753e+02 -8.12700021e+00 -2.74515327e+01 1.63049955e+02 -1.4026 0.0004 0.0005 0.0013 0.3770 1.2342 3.9196 19.0890 21.0765 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 A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A 3.7563 19.0854 21.0745 28.3376 41.4363 53.5539 68.6832 73.1575 131.2448 142.1561 151.8749 176.0277 200.5353 218.0753 230.2821 277.0061 298.1815 327.9578 341.3525 350.2669 371.5929 380.5215 411.6598 426.1075 433.7596 447.9498 456.3592 478.8342 512.1155 524.0199 535.9062 571.2677 573.0302 594.9253 612.2049 646.4109 662.8523 680.5227 694.3664 696.5340 709.2724 717.3040 734.7090 751.6127 773.5315 778.8810 814.3624 820.9062 835.1210 848.8279 855.5616 876.1799 913.6403 919.8152 927.6540 932.5498 945.2287 979.3533 991.3566 998.6243 1012.7721 1014.4459 1018.6110 1027.8413 1080.8692 1093.6380 1093.8264 1110.7208 1132.4949 1156.7283 1157.6955 1178.5870 1183.7064 1194.3818 1214.0037 1236.8089 1253.5857 1272.1552 1284.1533 1310.8046 1322.1933 1325.1468 1340.7511 1352.7538 1355.7768 1437.6165 1454.7441 1469.5747 1477.7829 1520.7107 1539.3190 1570.9403 1614.2383 1627.3631 1639.0479 1642.7309 1649.4356 1650.2518 1735.5549 3181.1897 3181.3967 3181.4540 3196.6648 3196.8233 3203.0969 3203.9166 3210.4196 3219.6688 3220.4249 3240.4343 3541.7246 15.4906 5.7355 7.8013 6.6645 6.3083 6.4539 8.0239 8.6285 7.2205 7.4648 7.7029 6.4166 7.0580 6.6557 6.0644 7.5189 7.4524 7.2052 8.7082 6.9398 9.9734 7.0577 6.8152 3.1439 5.5691 3.9914 4.0312 7.3279 8.8209 2.4740 7.9473 5.8960 10.3133 8.2789 6.9747 7.2896 8.6813 8.1865 4.1495 1.3315 2.0143 3.3449 3.5049 8.6339 2.5970 6.0398 1.6207 1.2877 2.2526 5.2528 1.7017 5.4810 6.5692 1.5308 1.3994 1.4954 1.3241 1.3166 5.1055 1.3700 7.2096 1.3253 6.2815 2.5696 2.8284 1.6115 5.3758 1.9186 1.3688 2.4793 5.4613 1.2296 1.2984 1.2029 2.4736 2.3834 2.4244 3.6395 5.4024 1.9498 3.9086 1.4776 6.3666 3.2348 5.3835 3.0631 3.2376 2.9493 3.2009 2.5291 2.5339 2.2139 6.5153 6.6892 6.0278 5.4468 5.9175 5.8812 9.9929 1.0879 1.0889 1.0899 1.0916 1.0920 1.0946 1.0970 1.0944 1.0923 1.0943 1.0929 1.0768 0.0001 0.0012 0.0020 0.0032 0.0064 0.0109 0.0223 0.0272 0.0733 0.0889 0.1047 0.1171 0.1672 0.1865 0.1895 0.3399 0.3904 0.4566 0.5978 0.5016 0.8114 0.6021 0.6805 0.3363 0.6173 0.4719 0.4947 0.9899 1.3630 0.4003 1.3448 1.1337 1.9953 1.7264 1.5402 1.7946 2.2473 2.2338 1.1788 0.3806 0.5970 1.0140 1.1147 2.8737 0.9155 2.1588 0.6333 0.5113 0.9256 2.2299 0.7339 2.4791 3.2308 0.7631 0.7095 0.7662 0.6970 0.7440 2.9563 0.8050 4.3570 0.8035 3.8400 1.5995 1.9469 1.1356 3.7896 1.3946 1.0344 1.9545 4.3126 1.0063 1.0719 1.0110 2.1479 2.1481 2.2447 3.4703 5.2489 1.9738 4.0259 1.5287 6.7431 3.4876 5.8303 3.7299 4.0369 3.7528 4.1185 3.4460 3.5376 3.2190 10.0027 10.4374 9.5409 8.6602 9.4855 9.4366 17.7345 6.4865 6.4933 6.4995 6.5721 6.5750 6.6165 6.6349 6.6458 6.6713 6.6864 6.7617 7.9586 0.0852 0.2628 0.3404 0.0442 0.5622 0.5399 0.1971 6.6814 0.4422 0.0846 2.4790 2.8312 0.1425 1.4195 0.4530 1.2166 6.6725 1.1426 3.2962 12.7301 2.9745 0.7713 0.5272 0.0311 2.6633 1.3041 1.5753 9.5352 6.2309 19.3496 22.1954 2.0423 0.5156 3.0806 1.8279 0.0166 13.6013 1.4174 8.1448 37.3527 22.4602 3.6390 1.0099 2.7964 27.2913 18.5186 20.4173 7.7609 30.5952 55.4796 64.4215 4.8468 41.9495 27.4617 0.2269 3.8091 0.5374 0.5731 55.3484 3.0622 9.4687 0.4007 3.0379 1.3576 99.8207 42.9403 224.3344 87.3616 6.9003 20.1578 140.2543 13.8741 49.6345 11.9587 61.5321 180.4672 90.5109 7.1007 328.7656 86.6875 209.3830 29.1693 49.5764 5.2806 59.3979 55.8226 73.9508 161.1248 45.0011 24.8913 211.6314 496.1194 123.6636 147.5102 18.0655 18.1375 3.3986 3.5294 237.0975 4.8871 3.2630 8.2301 3.4553 1.4488 1.4599 2.4005 0.8089 1.6801 1.6395 5.1339 118.0412 0.11 0.03 0.03 0.05 0.02 0.02 0.05 0.03 0.05 0.11 0.01 0.10 -0.03 0.01 0.02 -0.10 -0.01 -0.02 -0.10 -0.01 -0.05 -0.16 -0.03 -0.09 -0.02 -0.00 -0.03 -0.02 -0.00 -0.05 0.50 0.25 0.17 -0.17 0.10 -0.20 0.03 -0.35 0.40 -0.16 -0.02 -0.04 -0.02 0.01 0.02 -0.02 0.00 -0.02 -0.02 0.01 -0.01 -0.02 0.01 0.02 -0.02 0.02 0.03 -0.02 0.02 0.03 -0.02 0.02 0.05 -0.02 0.02 0.05 -0.02 0.02 0.04 -0.03 0.01 -0.01 -0.04 -0.04 -0.14 -0.03 -0.03 -0.11 -0.04 -0.02 -0.14 -0.04 -0.03 -0.19 -0.04 -0.01 -0.11 -0.04 -0.01 -0.13 -0.03 -0.00 -0.04 -0.03 -0.01 -0.01 -0.03 -0.02 -0.04 -0.03 -0.02 -0.02 -0.02 0.00 -0.02 -0.02 0.01 0.02 -0.03 0.01 -0.03 -0.02 0.01 -0.01 -0.02 -0.00 0.04 -0.11 -0.11 -0.12 -0.02 -0.04 -0.07 0.05 0.00 -0.00 -0.02 -0.07 -0.01 0.17 0.10 0.07 0.22 0.16 0.07 0.15 0.11 0.00 0.19 0.16 0.00 0.04 0.01 -0.07 -0.01 -0.02 -0.14 -0.03 -0.10 -0.02 -0.09 -0.05 0.04 -0.00 -0.13 -0.05 0.32 0.23 0.12 -0.02 0.03 0.03 -0.02 0.00 -0.07 -0.02 0.01 -0.05 -0.02 0.02 0.01 -0.01 0.03 0.03 -0.02 0.03 0.06 -0.02 0.05 0.12 0.22 0.14 0.12 -0.01 0.04 0.16 -0.03 0.01 0.01 -0.04 -0.02 -0.02 -0.04 -0.01 -0.01 -0.04 -0.02 -0.14 -0.04 -0.03 -0.25 -0.03 -0.01 -0.13 -0.03 -0.01 -0.23 -0.03 0.01 0.01 -0.03 0.01 0.14 -0.03 0.00 0.13 -0.03 0.01 0.23 -0.02 -0.00 -0.09 -0.02 0.03 0.08 -0.03 0.01 -0.06 -0.02 0.01 -0.03 -0.02 0.02 0.24 -0.10 0.03 0.01 -0.00 0.03 0.03 0.08 0.05 -0.01 0.01 0.07 -0.08 0.21 0.05 0.01 0.26 0.02 0.07 0.19 0.00 0.11 0.23 -0.02 0.16 0.06 0.00 0.09 0.01 -0.01 0.13 0.04 0.17 -0.04 -0.08 0.10 -0.18 0.02 -0.05 -0.09 0.36 0.02 0.09 -0.03 -0.01 -0.07 -0.02 -0.01 0.06 -0.04 -0.03 0.03 -0.05 -0.04 -0.05 -0.06 -0.05 -0.08 -0.04 -0.03 -0.11 -0.05 -0.04 -0.17 0.27 0.06 -0.01 -0.02 -0.04 -0.18 -0.04 -0.01 -0.04 -0.08 -0.06 0.17 -0.07 -0.05 0.11 -0.08 -0.03 0.16 -0.10 -0.02 0.24 -0.07 -0.02 0.10 -0.08 -0.00 0.14 -0.05 -0.03 0.00 -0.04 -0.05 -0.05 -0.05 -0.06 0.00 -0.04 -0.07 -0.03 -0.04 -0.03 0.07 -0.03 -0.02 -0.10 -0.05 0.01 0.02 -0.02 0.00 0.01 -0.02 -0.05 -0.13 0.03 -0.02 -0.06 0.04 0.00 -0.05 0.07 0.03 -0.01 0.11 0.02 0.02 0.08 0.06 0.01 0.05 0.06 -0.02 0.01 0.03 -0.06 -0.01 0.03 -0.08 0.00 0.00 -0.08 -0.02 -0.01 -0.12 0.08 -0.04 -0.00 0.18 0.00 0.09 0.11 0.11 0.01 0.05 0.08 -0.01 -0.03 0.03 0.06 -0.03 0.01 -0.04 -0.03 0.02 -0.02 -0.02 0.03 0.05 -0.02 0.04 0.07 -0.02 0.04 0.09 -0.02 0.05 0.13 0.11 0.07 0.04 -0.02 0.02 0.08 -0.04 0.02 0.08 -0.11 -0.14 -0.12 -0.09 -0.10 -0.06 -0.12 -0.04 0.15 -0.16 -0.04 0.26 -0.10 -0.00 0.20 -0.13 0.04 0.36 -0.06 -0.01 0.04 -0.03 -0.07 -0.16 -0.05 -0.11 -0.21 -0.03 -0.15 -0.37 -0.02 0.01 -0.06 -0.03 0.03 0.08 -0.06 0.04 0.08 -0.03 0.02 -0.00 0.00 -0.08 -0.27 0.01 -0.05 -0.06 0.00 -0.03 -0.05 -0.00 -0.02 -0.02 -0.00 -0.06 0.01 -0.01 0.01 -0.00 -0.01 0.03 -0.02 -0.00 0.02 -0.05 -0.01 0.04 -0.07 0.00 -0.01 -0.06 0.00 -0.01 -0.09 0.03 -0.08 -0.00 -0.02 -0.05 0.03 -0.01 -0.07 0.03 -0.01 0.05 -0.01 0.00 0.02 -0.02 0.00 0.02 0.01 -0.00 0.07 0.21 -0.01 0.09 0.30 -0.01 0.14 0.47 -0.00 0.07 0.18 -0.01 0.09 0.25 -0.01 0.01 0.02 -0.00 0.01 -0.07 0.00 -0.02 -0.22 0.00 0.04 0.21 0.00 0.02 0.08 0.00 0.02 0.07 0.01 0.03 0.17 0.01 0.00 -0.04 0.01 -0.00 -0.04 0.00 -0.01 -0.15 0.00 -0.01 -0.17 0.00 0.01 -0.05 -0.00 0.01 -0.05 -0.00 0.09 0.30 0.00 0.00 -0.11 0.00 -0.02 -0.23 0.00 -0.01 -0.10 0.00 -0.02 -0.26 0.09 0.06 0.06 0.05 0.03 0.04 0.05 0.03 0.03 0.10 0.06 0.04 0.01 -0.01 0.00 -0.04 -0.04 -0.01 -0.03 -0.03 0.01 -0.07 -0.06 -0.00 0.01 0.00 0.03 0.01 0.01 0.05 0.04 0.03 0.03 0.20 0.04 0.08 0.10 0.18 0.02 -0.07 -0.07 -0.03 -0.01 0.02 -0.05 -0.01 0.01 0.03 -0.02 0.01 0.07 -0.03 0.02 0.04 -0.04 0.02 0.06 -0.03 0.02 -0.02 -0.04 0.02 -0.05 0.00 -0.01 -0.01 -0.00 -0.01 -0.10 -0.03 -0.00 -0.10 -0.10 -0.12 0.05 -0.08 -0.09 0.01 -0.10 -0.07 -0.21 -0.12 -0.09 -0.35 -0.08 -0.04 -0.25 -0.09 -0.02 -0.40 -0.04 -0.02 -0.07 -0.03 -0.03 0.14 -0.05 -0.07 0.19 -0.03 -0.08 0.36 -0.02 0.02 0.12 -0.01 0.00 -0.09 -0.04 0.01 -0.10 -0.00 0.02 -0.03 -0.00 -0.02 0.27 -0.24 -0.03 -0.08 -0.16 0.01 -0.05 -0.03 0.08 0.00 0.01 0.12 0.02 0.08 0.14 0.06 0.07 0.13 0.05 -0.05 0.08 -0.00 -0.04 0.08 0.00 -0.15 0.02 -0.05 -0.15 0.01 -0.08 0.02 0.13 0.02 0.07 0.11 -0.00 0.00 0.17 0.05 0.16 0.18 0.09 -0.03 -0.14 0.01 -0.09 -0.02 -0.04 -0.02 0.02 -0.00 0.05 -0.01 0.04 0.11 0.02 0.07 0.04 -0.10 0.05 0.09 -0.13 0.08 0.19 0.20 0.11 -0.03 -0.19 0.06 -0.03 -0.20 -0.04 0.14 0.11 -0.01 0.09 0.02 -0.01 0.14 -0.05 -0.02 0.21 -0.05 -0.02 0.10 -0.13 -0.03 0.14 -0.19 -0.03 0.01 -0.14 -0.02 -0.04 -0.06 -0.01 0.00 0.02 -0.00 -0.04 0.08 0.01 -0.02 0.08 -0.01 -0.04 -0.19 0.02 -0.00 -0.23 -0.06 -0.09 -0.11 -0.03 -0.10 -0.07 -0.00 0.02 0.03 0.07 0.01 0.01 0.06 -0.00 0.00 0.03 -0.00 0.03 0.01 -0.02 -0.03 0.02 -0.02 -0.04 0.03 -0.00 -0.03 0.06 -0.00 -0.05 0.07 0.01 -0.00 0.07 0.02 0.00 0.09 -0.03 0.06 0.02 0.02 0.03 -0.01 0.00 0.04 -0.01 -0.03 -0.07 0.01 0.00 0.01 0.02 0.01 -0.02 -0.00 0.00 -0.06 -0.13 -0.01 -0.06 -0.17 -0.02 -0.09 -0.28 -0.01 -0.02 -0.07 -0.02 -0.01 -0.07 -0.03 -0.04 -0.01 -0.01 0.13 0.46 0.01 -0.03 -0.27 -0.02 -0.02 0.18 -0.01 -0.02 0.02 -0.01 -0.01 -0.01 -0.02 -0.01 0.08 -0.00 -0.01 -0.13 -0.01 -0.01 -0.12 0.01 -0.02 -0.21 0.02 -0.03 -0.22 0.01 -0.03 -0.11 0.01 -0.04 -0.10 0.00 -0.08 -0.20 0.00 0.04 0.10 0.01 -0.06 -0.39 0.01 0.01 0.04 0.03 -0.04 -0.28 -0.34 -0.17 -0.13 -0.25 -0.13 -0.10 -0.25 -0.13 -0.10 -0.07 -0.03 -0.02 -0.10 -0.07 -0.05 0.12 0.03 0.05 0.18 0.06 0.09 0.39 0.16 0.18 -0.03 -0.03 -0.00 0.01 -0.01 0.02 0.08 0.00 -0.02 0.14 -0.07 -0.13 -0.14 0.16 0.23 0.27 0.10 0.12 0.01 0.00 -0.04 0.03 -0.03 -0.01 0.01 -0.02 0.03 -0.01 -0.02 0.01 -0.03 -0.02 0.04 -0.01 -0.00 -0.02 -0.02 0.01 -0.01 -0.09 -0.07 -0.05 -0.00 0.08 0.01 0.05 0.07 -0.01 -0.02 -0.08 -0.02 0.00 -0.02 0.00 -0.02 0.02 0.01 -0.06 0.02 0.00 0.00 0.06 0.01 -0.02 0.10 0.01 0.05 0.07 0.01 0.07 0.03 0.02 0.05 -0.02 0.02 0.07 -0.05 0.02 0.01 -0.03 0.07 0.02 0.06 -0.02 0.06 0.06 -0.04 0.03 -0.02 -0.05 0.10 0.03 0.03 -0.07 -0.01 -0.06 -0.05 -0.00 -0.05 -0.03 0.00 -0.05 -0.00 -0.01 -0.01 0.00 0.02 -0.03 0.03 0.03 -0.02 0.01 0.02 -0.02 0.04 0.03 -0.01 -0.03 0.00 -0.03 -0.03 0.00 -0.03 0.04 -0.05 -0.03 0.02 -0.02 0.01 -0.02 0.01 0.04 0.06 0.04 -0.01 -0.01 0.05 0.28 -0.01 0.02 0.07 0.00 -0.04 -0.16 0.01 -0.03 -0.08 0.02 -0.06 -0.25 0.00 0.02 0.15 0.01 0.00 0.12 0.02 0.03 -0.03 -0.01 -0.05 -0.21 0.01 0.03 0.17 -0.00 0.01 0.22 0.01 -0.01 -0.03 0.01 -0.01 -0.14 -0.00 -0.01 -0.14 0.01 -0.01 -0.17 0.01 -0.00 -0.20 0.02 0.00 -0.08 0.02 -0.01 -0.15 0.02 -0.01 -0.12 0.02 -0.02 -0.09 0.00 -0.10 -0.41 -0.01 0.01 0.09 0.02 0.05 0.34 -0.02 0.06 0.32 0.03 -0.01 -0.16 -0.04 -0.11 0.05 -0.03 -0.08 0.06 0.04 -0.02 0.13 -0.02 0.05 0.03 0.06 0.03 0.15 -0.05 0.02 0.08 -0.15 -0.04 -0.01 -0.23 -0.05 -0.06 -0.09 -0.07 -0.01 -0.04 -0.09 -0.14 -0.14 0.18 0.09 -0.03 0.06 -0.07 0.02 0.02 -0.09 -0.07 0.05 0.09 -0.01 -0.03 0.01 0.00 -0.11 -0.13 -0.02 -0.12 -0.09 -0.05 -0.06 0.07 -0.08 -0.05 0.14 -0.05 -0.02 0.14 -0.08 0.03 0.27 0.13 0.07 0.23 -0.04 0.11 -0.08 0.12 0.12 0.05 0.00 -0.16 0.05 0.06 -0.05 0.00 0.00 0.02 -0.02 -0.07 0.02 -0.03 0.05 0.10 -0.02 0.01 0.16 -0.04 0.12 0.11 -0.00 0.17 0.04 -0.01 0.14 -0.05 -0.00 0.18 -0.10 0.00 -0.02 -0.16 -0.14 0.02 0.07 -0.01 0.15 0.08 0.05 0.01 -0.09 -0.12 0.24 0.05 -0.01 -0.15 0.07 -0.09 -0.10 0.05 -0.09 0.02 0.11 -0.08 0.02 0.02 -0.02 0.12 0.11 -0.06 0.02 -0.00 -0.07 -0.12 -0.06 -0.07 -0.17 -0.12 -0.08 -0.13 -0.01 -0.05 -0.10 0.03 0.07 0.09 -0.12 -0.08 -0.07 0.03 0.13 0.01 -0.04 0.01 0.07 -0.03 -0.07 -0.04 -0.05 -0.04 -0.06 0.02 0.14 -0.05 0.04 0.20 -0.05 -0.03 -0.03 -0.04 -0.04 -0.07 -0.05 -0.09 -0.20 -0.05 -0.13 -0.37 0.26 0.16 -0.05 -0.07 0.08 0.04 0.08 0.06 0.00 0.03 -0.13 0.02 0.07 -0.05 0.01 0.03 0.01 -0.00 -0.03 0.01 -0.00 0.06 0.07 -0.00 0.04 0.10 -0.01 0.10 0.07 0.00 0.14 0.02 0.00 0.12 -0.04 0.01 0.14 -0.08 0.01 -0.06 0.07 0.34 -0.01 0.03 0.00 0.12 0.01 -0.00 -0.05 -0.01 0.09 0.19 0.03 0.01 0.05 -0.04 0.01 0.03 -0.03 0.02 0.00 -0.03 0.03 0.00 -0.01 0.01 -0.02 -0.02 0.03 -0.01 0.01 0.02 0.02 0.02 0.00 0.02 0.04 -0.01 0.03 -0.00 -0.01 0.02 -0.01 -0.04 -0.03 0.04 0.03 0.03 -0.01 -0.04 0.01 -0.00 -0.02 -0.03 0.03 0.02 0.01 -0.04 -0.16 0.01 0.00 -0.02 0.02 0.07 0.19 0.03 0.02 0.02 0.03 0.04 0.11 0.03 -0.05 -0.20 0.04 -0.07 -0.26 -0.05 -0.03 0.04 0.02 -0.02 0.10 -0.02 0.04 0.36 -0.03 0.06 0.21 -0.02 0.01 -0.10 -0.01 -0.01 -0.18 -0.00 -0.01 -0.21 -0.02 -0.01 -0.09 -0.02 -0.01 -0.09 -0.03 0.00 0.07 -0.03 -0.00 -0.10 -0.03 -0.00 -0.20 -0.03 -0.00 -0.24 0.02 0.14 0.44 0.00 -0.01 0.09 -0.03 0.03 0.30 0.01 -0.04 -0.18 -0.04 -0.00 -0.07 -0.07 -0.21 -0.06 -0.06 -0.14 -0.03 0.00 -0.10 0.07 0.01 -0.05 0.02 0.04 0.02 0.13 -0.04 0.07 0.04 -0.11 0.01 -0.08 -0.15 0.04 -0.14 -0.05 -0.06 -0.10 0.02 -0.04 -0.18 -0.08 0.09 0.08 0.09 -0.06 -0.13 0.02 -0.03 -0.05 -0.04 0.15 0.08 0.05 0.02 0.07 0.07 0.02 0.16 0.08 0.04 0.19 0.07 -0.01 -0.05 0.06 -0.04 -0.15 0.07 -0.05 -0.19 0.08 -0.12 -0.45 0.12 0.07 0.26 0.05 0.01 -0.01 -0.01 -0.00 -0.11 -0.05 0.04 -0.06 -0.06 0.03 0.02 -0.05 0.02 0.04 -0.03 0.02 0.06 -0.05 0.01 0.01 -0.05 0.01 0.01 -0.03 -0.00 -0.03 -0.05 0.02 0.01 -0.05 0.03 0.04 -0.05 0.03 0.05 0.08 0.06 0.25 0.04 0.02 -0.00 -0.03 0.03 -0.07 0.06 0.05 0.26 -0.06 0.02 -0.00 -0.27 -0.04 -0.06 -0.19 -0.04 -0.04 -0.01 0.03 -0.03 -0.01 0.02 -0.01 0.19 0.06 0.02 0.03 -0.08 -0.01 -0.17 -0.16 -0.02 -0.23 -0.24 -0.02 -0.14 -0.07 0.02 0.03 0.04 0.14 0.03 -0.04 -0.03 -0.04 0.03 0.06 -0.02 0.01 0.03 0.11 -0.10 -0.00 0.10 -0.02 -0.02 0.12 -0.06 -0.03 0.15 -0.05 -0.08 0.13 -0.02 0.01 0.12 -0.02 0.04 0.12 0.01 0.09 0.14 0.02 0.20 0.42 0.16 0.06 0.10 0.01 -0.00 -0.01 0.03 0.02 -0.10 0.08 0.00 -0.11 0.06 -0.02 -0.09 0.03 -0.02 -0.06 0.03 -0.02 -0.09 0.02 -0.01 -0.10 0.04 -0.01 -0.05 0.01 0.00 -0.08 0.04 -0.01 -0.09 0.06 -0.03 -0.08 0.04 -0.03 0.15 -0.06 -0.11 0.07 0.02 -0.01 -0.04 0.06 -0.01 0.12 -0.07 -0.09 -0.10 0.04 -0.01 -0.17 -0.12 -0.01 -0.13 -0.09 0.01 -0.01 -0.08 0.03 0.02 -0.08 -0.01 0.14 0.01 0.10 -0.00 -0.04 0.03 -0.15 -0.11 -0.01 -0.22 -0.17 -0.02 -0.08 -0.01 0.03 -0.00 0.09 0.15 -0.03 -0.02 0.02 0.14 -0.12 -0.13 0.02 -0.08 -0.02 0.03 -0.02 0.04 -0.04 0.18 -0.05 -0.07 0.13 -0.02 -0.10 0.12 -0.08 -0.10 0.15 -0.05 -0.12 0.14 -0.06 -0.08 0.21 0.00 -0.12 0.25 0.05 0.31 0.10 0.19 0.05 0.01 0.00 -0.03 0.02 0.04 0.15 0.01 0.02 0.10 -0.07 -0.00 0.09 -0.08 -0.00 0.08 -0.08 -0.01 0.05 -0.09 0.01 0.09 -0.14 0.02 -0.02 -0.08 0.03 0.00 -0.11 0.02 0.02 -0.08 -0.01 -0.01 -0.03 -0.02 -0.10 0.12 -0.11 -0.01 0.06 -0.01 -0.06 0.05 0.02 -0.07 0.20 -0.08 0.01 -0.11 0.02 -0.06 -0.01 0.06 -0.05 -0.01 0.06 0.01 -0.04 0.02 0.07 -0.08 -0.02 -0.06 -0.02 0.02 -0.04 0.02 0.03 0.00 0.05 0.08 0.06 0.06 0.12 -0.06 0.05 0.06 -0.11 0.09 0.12 0.03 -0.03 0.00 0.14 -0.10 -0.09 0.10 -0.14 -0.11 -0.04 0.02 0.03 -0.03 -0.13 0.01 -0.11 0.07 -0.01 0.05 0.16 -0.08 0.19 0.10 -0.03 0.30 0.14 -0.04 0.15 -0.05 0.06 0.28 -0.13 0.13 -0.11 -0.03 0.05 -0.10 -0.10 0.02 0.00 -0.06 -0.01 -0.13 -0.11 -0.00 -0.03 0.08 0.01 -0.04 0.12 0.00 -0.05 0.12 0.01 0.01 0.14 -0.02 -0.02 0.18 -0.04 0.06 0.12 -0.02 0.06 0.14 -0.02 0.05 0.09 0.00 0.08 0.05 0.01 0.05 0.31 -0.14 -0.07 -0.12 0.01 0.09 -0.16 -0.01 -0.12 -0.05 -0.03 0.08 0.14 -0.03 0.38 0.10 0.10 0.26 0.08 0.06 0.03 -0.01 0.01 -0.10 -0.02 -0.01 0.20 -0.01 0.03 0.12 -0.06 -0.01 -0.07 -0.15 -0.11 -0.31 -0.28 -0.19 0.11 0.00 -0.01 0.02 -0.03 -0.05 -0.11 -0.05 -0.02 -0.02 -0.04 -0.11 -0.18 0.13 0.23 0.12 -0.04 -0.01 -0.02 0.01 0.00 -0.05 0.04 -0.02 -0.03 0.06 -0.01 0.01 0.05 -0.01 0.04 0.06 -0.00 0.01 0.02 -0.02 0.03 0.00 -0.03 0.29 0.02 0.02 0.05 -0.16 0.03 -0.03 -0.07 -0.01 -0.07 -0.10 0.00 0.01 0.06 0.00 0.00 0.09 -0.00 0.00 0.09 0.00 0.02 0.08 -0.01 0.02 0.09 -0.02 0.03 0.07 -0.02 0.04 0.08 -0.01 0.05 0.06 -0.00 0.05 0.06 -0.00 -0.03 0.11 -0.02 -0.04 -0.09 0.01 0.03 -0.14 0.01 -0.06 0.04 0.00 0.05 0.08 -0.02 -0.29 -0.19 -0.13 -0.18 -0.13 -0.08 -0.01 -0.03 -0.00 0.03 0.06 0.05 -0.03 -0.14 -0.07 0.01 -0.15 -0.04 0.14 -0.07 0.02 0.29 -0.03 0.12 -0.04 -0.07 -0.04 0.00 -0.05 -0.08 0.01 0.12 0.09 -0.09 0.09 0.19 0.07 -0.02 -0.07 0.00 -0.15 -0.05 -0.00 0.13 -0.01 -0.03 0.03 -0.01 -0.08 0.02 0.00 -0.10 0.04 -0.01 -0.14 0.03 -0.01 -0.07 0.11 -0.04 -0.13 0.15 -0.09 -0.02 -0.15 -0.13 0.30 -0.27 0.06 -0.06 -0.08 -0.01 -0.06 -0.11 0.01 0.03 0.07 -0.00 0.01 0.10 -0.00 0.02 0.11 0.00 0.03 0.09 -0.01 0.03 0.09 -0.02 0.02 0.08 -0.01 0.04 0.08 -0.01 0.06 0.07 -0.01 0.05 0.09 -0.02 -0.08 0.01 0.01 0.03 -0.06 0.01 -0.01 -0.13 -0.01 -0.03 0.13 0.00 0.07 0.08 -0.02 0.03 0.11 0.04 0.02 0.07 0.02 -0.01 0.04 -0.01 0.01 -0.03 -0.06 -0.08 0.19 0.07 -0.11 0.20 0.06 -0.13 0.16 0.03 -0.18 0.22 -0.06 -0.00 0.05 0.03 0.05 0.03 0.10 0.08 -0.10 -0.10 0.07 -0.04 -0.13 0.01 -0.02 -0.05 -0.10 0.20 0.06 0.02 0.03 -0.02 0.07 -0.06 0.03 -0.07 -0.18 0.03 -0.18 -0.13 0.03 -0.25 -0.16 0.04 -0.15 -0.02 0.03 -0.26 0.07 0.03 -0.09 0.20 0.17 0.23 -0.17 0.04 -0.02 -0.05 -0.00 -0.05 -0.04 0.01 -0.00 0.04 -0.02 -0.00 0.05 -0.01 0.01 0.05 -0.01 0.01 0.04 0.00 0.00 0.05 0.00 0.01 0.04 0.01 0.01 0.05 0.00 0.02 0.05 -0.02 0.02 0.05 -0.03 -0.08 -0.33 0.05 0.05 -0.04 -0.01 -0.00 -0.06 -0.01 0.08 -0.02 -0.01 0.02 0.04 0.01 -0.05 0.01 0.30 -0.02 -0.05 0.28 -0.00 -0.06 0.09 0.01 0.03 -0.10 -0.03 -0.09 0.11 0.00 -0.06 0.15 -0.10 -0.04 0.24 -0.14 -0.14 0.29 -0.10 -0.04 0.21 -0.08 -0.10 -0.27 0.26 -0.20 -0.23 -0.13 0.07 -0.06 -0.00 0.15 -0.09 0.04 -0.11 0.15 0.01 0.05 0.01 -0.05 0.01 -0.06 0.01 0.08 0.01 0.05 0.07 0.00 0.06 0.09 0.05 0.05 0.05 -0.07 0.07 0.02 -0.13 -0.08 -0.11 0.13 0.06 0.01 -0.01 0.00 0.03 0.01 0.02 0.03 -0.03 -0.00 -0.01 0.04 -0.01 -0.01 0.03 -0.02 -0.01 0.03 -0.01 -0.00 -0.03 -0.01 -0.00 -0.04 -0.00 -0.00 -0.04 0.00 -0.01 -0.03 -0.01 -0.02 0.03 -0.00 -0.02 0.04 0.01 0.17 0.04 0.03 0.04 0.02 -0.01 0.05 0.02 -0.04 0.07 0.01 0.02 -0.02 -0.04 0.01 0.02 -0.02 0.00 0.01 -0.02 -0.00 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 0.01 -0.02 0.01 0.01 -0.01 0.01 0.01 0.04 -0.02 0.01 0.02 0.02 -0.01 0.00 -0.00 -0.02 0.01 -0.00 0.01 -0.01 0.00 0.01 0.03 0.00 -0.01 -0.02 -0.01 0.00 0.05 -0.02 -0.02 -0.04 -0.02 -0.03 -0.07 -0.01 -0.01 -0.01 -0.02 0.00 0.00 0.01 0.02 -0.01 0.02 -0.03 -0.00 0.01 0.04 0.23 0.01 0.01 -0.18 -0.02 0.02 0.32 -0.02 0.01 0.24 -0.03 0.01 0.26 -0.00 -0.02 -0.26 -0.00 -0.03 -0.41 0.01 -0.02 -0.27 0.01 -0.03 -0.23 -0.01 0.00 0.20 -0.00 -0.01 0.20 -0.01 0.01 0.14 0.00 0.02 0.11 0.02 0.04 0.28 0.00 -0.03 -0.10 0.02 -0.04 -0.31 0.10 0.22 0.12 0.05 0.12 0.06 -0.00 0.06 -0.05 -0.00 -0.01 0.00 -0.03 -0.01 -0.11 0.10 -0.01 -0.01 -0.00 -0.03 0.05 0.00 -0.10 0.11 -0.10 0.01 0.04 -0.17 -0.02 -0.06 -0.09 0.03 0.03 0.10 -0.04 -0.00 -0.01 -0.10 0.05 0.21 -0.04 -0.00 0.02 -0.04 0.00 -0.09 -0.01 -0.02 -0.07 0.01 -0.01 -0.01 -0.02 0.02 0.03 0.01 0.05 -0.00 -0.05 -0.00 -0.01 -0.05 -0.01 -0.08 -0.06 -0.20 0.23 -0.05 0.01 0.09 0.06 -0.04 0.05 0.25 -0.01 -0.12 -0.13 -0.01 -0.15 -0.13 -0.01 -0.30 -0.14 -0.01 -0.06 0.08 0.01 -0.15 0.21 0.01 0.08 0.08 0.01 0.11 0.03 0.01 -0.03 -0.15 0.00 0.09 -0.33 0.03 -0.07 0.07 -0.02 0.11 0.03 -0.02 0.11 0.04 -0.04 -0.07 -0.01 0.01 0.22 0.04 0.02 0.00 0.02 0.01 0.00 0.01 0.01 -0.00 0.01 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.01 0.01 -0.00 0.00 -0.00 -0.00 0.01 -0.00 -0.01 0.01 -0.01 0.00 0.01 -0.01 -0.00 -0.01 -0.00 0.00 -0.00 0.01 -0.00 0.00 -0.00 -0.01 0.00 0.02 -0.01 0.00 0.00 -0.00 -0.01 0.00 -0.00 -0.00 0.00 -0.01 -0.02 0.00 0.00 0.02 -0.00 0.01 0.05 0.00 -0.00 -0.01 -0.00 -0.00 -0.01 -0.00 -0.00 -0.02 0.00 0.01 0.00 0.00 0.00 -0.01 -0.01 -0.01 0.01 0.00 0.01 -0.01 0.00 0.02 0.21 0.01 0.05 0.44 0.01 -0.03 -0.21 0.02 -0.05 -0.44 -0.00 -0.01 0.00 -0.01 0.02 0.23 0.01 -0.01 -0.22 0.01 -0.03 -0.45 0.00 -0.01 -0.03 0.00 0.00 -0.02 -0.01 0.01 0.02 0.00 0.01 0.02 -0.03 0.04 0.46 0.01 -0.28 -0.16 0.01 -0.14 -0.09 0.01 -0.09 0.07 0.00 -0.01 0.01 0.03 -0.02 0.13 -0.10 0.02 0.01 0.04 0.03 -0.11 0.04 0.13 -0.20 0.13 -0.01 -0.09 0.09 0.02 0.13 0.09 -0.03 -0.00 -0.13 0.03 -0.02 0.01 0.14 -0.05 -0.23 0.09 0.01 -0.03 -0.03 0.01 -0.02 0.04 0.04 -0.02 0.04 0.00 0.00 0.01 -0.04 0.03 0.01 -0.12 -0.00 -0.00 0.04 0.02 -0.02 0.07 0.06 0.01 0.24 -0.05 -0.09 0.02 0.01 -0.03 -0.01 0.06 0.16 -0.01 -0.08 -0.13 -0.00 -0.11 -0.09 0.03 -0.28 -0.10 0.05 -0.02 0.11 -0.03 -0.10 0.22 -0.07 0.07 0.11 -0.00 0.10 0.06 0.03 -0.01 -0.14 -0.02 0.09 -0.30 -0.03 -0.02 0.05 -0.03 -0.06 -0.07 0.00 0.09 -0.12 -0.01 -0.03 -0.01 -0.02 0.23 0.07 0.07 -0.20 -0.05 -0.06 -0.06 -0.01 -0.01 0.03 0.04 0.00 0.01 0.01 -0.00 0.05 0.04 0.01 -0.08 -0.04 -0.04 0.03 0.02 0.04 0.03 0.02 0.04 0.05 0.03 0.04 0.04 0.00 -0.00 -0.03 -0.02 -0.01 0.02 0.01 -0.02 -0.00 -0.02 0.03 -0.19 -0.12 -0.10 -0.01 -0.03 -0.15 0.02 -0.02 -0.10 0.01 -0.05 -0.18 -0.01 0.07 0.26 -0.02 0.18 0.69 -0.01 -0.03 -0.15 -0.00 -0.04 -0.18 0.08 0.05 0.01 -0.04 -0.01 0.04 -0.01 -0.01 0.05 0.01 0.02 -0.02 -0.01 -0.02 0.05 -0.02 -0.01 -0.00 -0.05 -0.02 -0.05 0.00 0.02 -0.02 -0.01 0.04 -0.04 0.01 0.02 -0.00 0.02 0.01 -0.05 -0.00 -0.02 0.03 0.01 -0.05 0.02 0.01 -0.08 -0.22 -0.03 -0.04 -0.05 0.01 -0.03 0.06 0.01 0.05 0.20 0.04 0.01 -0.09 0.45 0.08 0.10 0.12 0.01 0.01 -0.12 -0.11 -0.02 -0.02 -0.03 0.01 -0.11 -0.09 -0.00 0.18 0.11 0.09 -0.10 -0.06 -0.11 -0.10 -0.03 -0.14 -0.09 -0.06 -0.10 -0.03 0.03 0.10 0.10 0.07 0.03 -0.04 -0.04 0.07 -0.01 0.04 -0.10 0.46 0.32 0.24 0.00 -0.01 -0.08 -0.01 -0.01 -0.01 0.00 -0.02 -0.09 0.00 0.03 0.10 0.00 0.07 0.27 0.01 -0.01 -0.05 0.00 -0.00 -0.05 -0.12 -0.09 0.03 0.02 0.02 0.02 0.01 0.01 0.02 -0.01 -0.01 -0.01 0.00 0.02 0.02 0.01 0.01 -0.00 0.03 0.01 -0.03 -0.00 -0.02 -0.01 0.01 -0.03 -0.02 -0.00 -0.01 0.00 -0.01 -0.01 -0.02 0.00 0.01 0.01 -0.01 0.03 0.00 0.00 -0.02 -0.13 0.02 0.01 -0.03 -0.00 0.03 0.04 -0.01 0.02 0.07 -0.02 -0.01 -0.05 -0.00 -0.21 -0.13 0.02 -0.07 -0.06 0.10 -0.01 0.10 0.03 -0.01 0.04 0.03 -0.05 0.08 -0.09 -0.03 -0.03 0.13 0.04 -0.07 0.18 0.11 -0.09 0.03 0.01 -0.09 -0.14 0.01 0.11 -0.02 -0.10 0.02 -0.09 0.04 -0.10 0.05 0.09 0.03 -0.27 -0.01 -0.06 0.04 -0.10 -0.02 -0.17 0.03 -0.00 -0.15 0.05 -0.06 0.00 -0.03 0.05 0.12 0.05 0.10 0.00 -0.12 0.01 -0.01 -0.11 0.03 -0.02 -0.06 0.10 0.19 0.13 -0.02 0.16 0.08 0.01 -0.14 -0.01 -0.00 -0.04 0.11 -0.01 0.05 0.01 0.00 0.26 0.02 0.02 -0.01 -0.16 0.01 0.01 -0.18 0.03 0.05 -0.14 0.00 -0.03 -0.05 -0.00 0.02 0.11 -0.00 -0.01 0.15 0.01 -0.15 0.15 -0.10 0.21 0.09 -0.03 0.07 0.18 -0.01 -0.14 -0.00 0.03 -0.19 -0.06 0.01 -0.19 -0.01 -0.01 -0.02 0.00 0.03 -0.14 -0.06 -0.09 -0.12 -0.04 -0.07 0.13 0.08 0.03 -0.06 -0.03 -0.03 -0.06 -0.01 0.03 -0.28 -0.14 -0.05 0.22 0.10 0.14 0.11 -0.01 -0.08 0.16 0.21 -0.02 0.08 -0.15 0.18 -0.18 -0.03 -0.13 -0.18 -0.14 -0.10 0.02 -0.04 0.04 -0.04 0.07 -0.04 -0.12 0.04 0.01 -0.05 -0.01 -0.01 0.02 0.03 -0.02 -0.04 -0.06 0.01 -0.07 -0.04 -0.01 0.28 0.16 0.09 -0.04 0.03 -0.02 0.17 -0.04 0.01 -0.17 0.07 -0.01 -0.11 0.06 -0.04 0.01 -0.07 0.01 0.17 -0.06 0.05 0.02 -0.11 0.03 -0.02 -0.05 0.06 0.14 -0.10 -0.01 0.07 0.02 0.01 0.05 0.06 0.00 0.11 -0.03 0.06 -0.12 0.05 0.04 0.07 -0.05 0.03 0.18 -0.06 -0.00 -0.05 0.03 -0.01 -0.06 0.01 0.04 -0.01 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.01 -0.00 -0.00 0.01 0.00 0.00 -0.01 -0.00 -0.00 0.00 0.00 0.00 -0.01 -0.00 0.00 0.01 0.00 0.00 -0.00 -0.01 -0.02 0.00 0.01 -0.00 0.00 -0.00 0.01 -0.01 -0.00 -0.00 -0.02 -0.01 -0.01 0.00 -0.01 -0.02 -0.00 0.01 0.04 -0.01 0.00 0.01 -0.00 -0.01 -0.02 0.00 -0.02 -0.09 -0.00 0.01 0.04 -0.00 0.01 0.05 0.01 0.00 0.00 0.00 0.01 0.01 0.00 -0.01 -0.05 -0.01 -0.00 -0.04 -0.01 0.03 0.23 0.00 -0.01 -0.05 0.02 -0.05 -0.49 0.00 -0.01 -0.03 0.02 -0.04 -0.45 -0.00 0.02 0.23 0.00 -0.00 -0.04 0.00 -0.00 -0.06 0.02 -0.05 -0.48 -0.00 -0.01 -0.04 0.01 -0.01 -0.05 -0.01 0.00 -0.04 -0.00 0.00 0.00 0.00 -0.04 -0.41 -0.08 -0.06 -0.07 0.04 0.01 -0.02 -0.02 -0.01 -0.02 -0.07 -0.05 -0.03 0.09 0.07 0.04 -0.09 -0.02 -0.03 0.05 0.03 -0.00 -0.06 0.00 -0.08 0.13 0.04 0.03 -0.08 -0.04 0.03 0.10 0.10 0.01 0.02 -0.12 0.07 -0.12 0.03 -0.08 -0.28 -0.11 -0.11 -0.02 -0.09 0.03 -0.10 -0.05 -0.02 -0.01 0.02 -0.01 0.09 -0.04 0.03 0.17 0.00 0.07 0.07 -0.12 0.01 0.14 -0.17 0.02 0.13 0.09 0.07 0.19 0.02 -0.01 -0.17 0.13 -0.03 0.23 -0.11 0.02 0.15 -0.06 0.01 -0.02 0.14 -0.01 -0.21 0.12 -0.02 -0.07 0.13 -0.02 -0.00 0.03 -0.01 -0.22 0.10 -0.02 -0.12 -0.05 0.00 -0.08 -0.05 0.00 -0.19 0.12 -0.02 -0.00 0.15 -0.00 0.02 0.14 -0.01 -0.24 0.20 -0.05 -0.08 -0.09 0.01 0.01 -0.05 0.00 -0.00 -0.05 -0.01 0.02 -0.03 0.00 0.01 -0.01 0.02 -0.01 0.04 -0.04 -0.00 -0.01 0.04 -0.03 0.00 0.02 0.01 0.01 -0.00 -0.01 0.03 -0.04 0.02 -0.03 -0.01 -0.03 -0.06 -0.08 -0.01 0.04 -0.09 0.05 0.04 0.05 -0.05 -0.05 0.03 -0.08 0.00 0.01 -0.00 -0.06 -0.31 -0.02 0.06 0.33 0.02 -0.01 -0.02 0.02 -0.02 -0.06 0.01 -0.10 -0.34 0.02 0.07 0.18 0.02 0.11 0.35 -0.02 -0.01 0.05 0.01 0.02 0.10 -0.00 0.03 0.14 0.01 -0.00 0.00 0.01 -0.00 -0.05 -0.00 0.01 0.02 -0.01 0.02 0.14 -0.01 -0.00 -0.02 -0.01 0.00 0.10 -0.01 -0.01 -0.06 -0.00 -0.01 -0.03 -0.00 0.00 0.03 -0.01 0.03 0.18 0.02 -0.09 -0.47 0.00 -0.05 -0.27 -0.01 0.01 -0.01 -0.01 0.03 0.06 -0.01 0.00 0.10 -0.16 0.20 0.04 -0.04 0.13 0.03 0.04 0.08 -0.06 -0.00 -0.18 0.13 0.08 0.07 -0.15 0.03 -0.05 -0.13 0.02 0.01 0.08 0.02 -0.14 0.19 -0.08 0.08 0.07 -0.07 0.06 -0.11 0.10 -0.06 0.36 -0.19 -0.28 -0.15 0.08 0.24 -0.13 0.00 -0.21 -0.21 0.00 -0.01 -0.12 0.07 0.03 0.12 0.05 -0.03 0.01 -0.04 0.00 -0.03 -0.09 -0.05 -0.14 -0.04 0.04 0.07 -0.05 0.07 0.13 0.06 0.05 -0.23 -0.03 -0.00 0.04 0.00 -0.01 0.06 -0.01 0.01 -0.00 -0.01 -0.00 -0.01 0.00 -0.01 0.01 0.01 -0.01 0.05 0.01 -0.01 -0.01 0.00 0.01 0.04 0.01 -0.01 -0.02 0.01 0.01 -0.01 0.00 0.00 0.01 0.01 -0.01 0.07 0.05 -0.18 -0.13 -0.02 -0.04 -0.11 0.01 -0.04 -0.02 0.07 -0.02 0.03 -0.00 0.01 0.04 0.09 -0.19 0.15 -0.05 -0.05 0.20 -0.00 -0.10 0.10 -0.01 0.03 -0.02 0.12 -0.26 0.05 0.07 -0.03 -0.17 0.03 0.04 -0.10 0.09 -0.17 0.11 -0.10 0.23 -0.02 0.00 0.32 -0.08 0.00 -0.00 -0.06 0.03 0.04 0.03 -0.02 -0.03 0.01 -0.02 0.12 -0.12 -0.01 -0.12 0.01 0.16 0.14 -0.02 -0.02 0.06 -0.01 -0.17 0.08 -0.03 -0.06 0.13 -0.06 -0.18 -0.18 0.06 -0.12 -0.22 0.08 0.10 -0.24 0.13 0.03 -0.01 0.01 -0.01 0.01 0.01 0.04 -0.02 0.00 0.02 -0.01 -0.00 -0.01 0.03 -0.00 -0.04 0.02 0.00 -0.02 0.02 -0.00 -0.01 0.01 0.00 -0.03 0.01 -0.00 -0.03 -0.01 -0.00 -0.02 -0.01 0.00 -0.04 0.03 0.00 -0.03 -0.25 0.05 0.01 0.01 -0.02 -0.01 -0.00 -0.01 0.12 -0.20 0.05 -0.01 -0.00 0.00 -0.16 0.07 0.01 -0.09 -0.03 -0.03 -0.19 -0.08 -0.15 0.08 0.01 0.04 -0.08 0.04 -0.10 0.10 0.06 0.04 -0.18 -0.06 0.02 -0.42 -0.18 -0.08 0.23 0.05 0.14 0.22 -0.02 -0.07 -0.08 -0.07 0.07 -0.06 0.11 -0.04 0.21 -0.01 0.04 0.33 0.05 0.08 0.01 -0.12 -0.01 -0.05 0.10 0.01 -0.14 0.09 -0.02 -0.00 -0.01 -0.01 0.18 0.06 -0.06 -0.01 -0.16 0.07 0.02 -0.18 0.09 0.10 0.13 -0.03 0.04 0.02 0.01 -0.00 0.03 0.01 0.05 -0.02 0.00 0.03 -0.01 -0.00 -0.02 0.05 -0.00 -0.06 0.04 0.01 -0.04 0.03 -0.01 -0.02 0.01 0.00 -0.04 0.01 -0.01 -0.03 -0.02 -0.00 -0.02 -0.00 0.00 -0.05 0.04 0.01 -0.14 0.11 -0.08 0.04 0.01 -0.04 -0.02 0.04 -0.03 -0.06 -0.02 0.02 -0.02 -0.01 0.01 0.00 0.02 -0.01 0.00 0.01 -0.02 0.00 0.01 -0.00 -0.00 0.00 0.00 -0.01 0.01 0.00 -0.01 -0.01 0.02 0.00 -0.01 0.01 0.01 0.01 -0.00 0.00 -0.02 -0.00 0.01 -0.01 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.01 0.02 -0.05 -0.00 0.00 0.02 -0.02 -0.00 0.05 0.01 -0.00 -0.01 0.06 -0.02 -0.05 0.05 -0.01 -0.02 0.02 -0.01 0.03 -0.02 0.00 -0.00 0.01 -0.02 -0.02 -0.06 0.01 0.00 0.02 -0.02 0.02 0.10 -0.01 0.04 0.09 0.00 -0.18 0.27 -0.04 -0.06 0.28 -0.06 -0.35 -0.07 0.00 -0.30 -0.15 0.00 -0.03 -0.10 0.00 0.19 -0.32 0.05 0.36 0.03 0.00 0.32 0.09 -0.03 0.05 -0.02 0.01 -0.06 -0.01 0.00 0.02 0.01 0.02 0.01 -0.04 0.01 0.08 -0.33 0.04 0.04 0.13 -0.23 -0.01 0.20 -0.21 -0.15 0.20 0.10 -0.10 0.09 0.13 -0.07 0.05 0.12 -0.03 -0.21 0.33 0.12 -0.21 -0.05 0.08 -0.09 -0.17 0.05 -0.01 -0.08 0.03 0.02 -0.08 0.09 -0.14 0.10 0.12 0.11 -0.09 -0.11 -0.07 -0.14 -0.07 -0.15 0.35 -0.04 -0.05 0.01 0.06 0.04 -0.01 0.03 0.08 -0.02 -0.08 0.14 -0.04 -0.03 0.16 -0.06 -0.09 -0.05 0.02 0.01 -0.12 0.04 0.07 0.03 -0.22 0.03 -0.00 0.01 0.01 0.01 -0.00 -0.00 -0.01 0.00 -0.00 -0.01 -0.01 0.02 -0.03 0.01 0.02 -0.03 0.00 0.03 -0.00 0.00 0.03 -0.01 -0.02 0.00 0.01 0.00 -0.02 0.02 -0.01 -0.03 -0.00 0.00 -0.03 -0.00 0.02 0.02 -0.04 0.00 -0.00 0.02 -0.02 0.02 0.01 0.04 0.05 -0.11 0.03 -0.01 0.02 -0.00 0.04 0.06 0.01 0.06 -0.07 -0.05 0.13 -0.02 -0.08 0.06 -0.07 -0.08 -0.05 0.12 -0.05 -0.04 0.03 0.05 -0.05 0.02 0.11 0.05 0.17 0.07 -0.01 -0.18 0.01 0.06 -0.09 0.04 -0.05 0.10 -0.08 -0.07 -0.10 0.05 0.04 0.05 0.08 0.07 -0.08 0.02 -0.19 -0.08 0.01 0.03 -0.04 0.01 0.15 0.17 -0.05 -0.11 0.38 -0.10 -0.11 0.39 -0.09 -0.15 -0.00 -0.00 0.14 -0.22 0.07 -0.12 0.10 -0.01 0.11 -0.02 0.01 0.01 0.07 -0.02 -0.06 0.01 -0.00 -0.02 0.01 0.01 0.07 -0.08 0.00 0.13 -0.08 -0.01 0.08 -0.04 0.01 0.08 -0.05 0.02 0.02 -0.01 -0.00 -0.00 0.02 0.00 -0.02 0.00 -0.01 -0.00 -0.03 -0.02 0.14 0.04 -0.02 -0.05 0.09 -0.01 0.03 0.08 0.12 0.03 -0.27 0.06 -0.01 0.02 0.01 -0.05 0.03 -0.01 -0.02 -0.01 -0.03 0.22 0.12 0.07 -0.00 -0.02 -0.02 -0.06 0.02 -0.03 0.02 -0.01 0.06 -0.04 -0.03 0.05 0.21 0.12 0.13 -0.14 -0.12 -0.05 0.18 0.02 -0.01 0.01 0.04 -0.03 -0.00 -0.08 0.01 -0.07 0.03 0.01 0.12 -0.03 0.07 0.08 -0.05 0.02 0.01 0.10 -0.04 -0.15 0.06 -0.01 -0.01 -0.04 0.01 0.16 0.04 -0.04 -0.00 -0.12 0.04 -0.05 -0.09 -0.01 -0.27 -0.09 -0.16 -0.03 0.02 -0.01 0.02 -0.02 0.06 0.05 -0.02 0.00 0.01 -0.00 0.03 -0.04 0.04 -0.02 -0.09 0.04 -0.00 -0.04 0.03 -0.01 -0.05 0.04 0.09 -0.01 0.00 -0.02 -0.02 0.00 0.01 -0.02 -0.00 -0.01 -0.04 0.03 -0.06 -0.16 0.06 -0.03 0.05 -0.05 -0.01 0.01 -0.15 -0.64 -0.01 0.07 -0.00 -0.02 0.00 0.01 0.07 0.05 0.03 -0.00 -0.00 -0.00 0.03 0.01 0.00 0.00 -0.00 -0.01 0.00 0.01 -0.00 -0.01 -0.01 0.01 0.00 -0.00 0.02 0.10 0.05 0.06 -0.04 -0.03 -0.02 0.04 0.01 -0.01 0.00 0.01 -0.00 -0.00 -0.02 0.00 -0.01 0.01 0.00 0.03 -0.01 0.02 0.02 -0.02 -0.02 0.00 0.03 -0.00 -0.04 0.01 0.00 -0.00 -0.02 -0.00 0.04 0.00 -0.00 0.00 -0.03 0.01 -0.01 -0.01 0.05 0.01 0.01 -0.01 -0.01 0.01 0.02 -0.00 -0.02 -0.07 0.01 -0.00 0.01 0.00 -0.01 -0.05 -0.01 0.01 0.03 -0.02 0.01 0.02 -0.01 0.01 -0.01 -0.01 0.00 -0.15 -0.00 0.01 0.04 -0.00 -0.00 -0.03 -0.00 0.00 0.02 -0.01 0.02 0.11 -0.04 0.02 -0.00 0.01 -0.01 0.01 -0.00 0.19 0.93 -0.00 0.02 -0.01 -0.00 -0.00 -0.03 0.39 0.21 0.16 0.07 0.03 0.02 -0.13 -0.07 -0.07 0.01 -0.00 -0.00 0.06 0.05 0.02 -0.12 -0.07 -0.03 0.05 0.02 0.04 0.44 0.22 0.21 -0.10 -0.06 -0.04 0.03 0.00 -0.01 -0.01 -0.00 0.00 -0.01 0.02 0.00 0.04 -0.01 0.00 0.14 0.04 0.07 0.02 -0.01 0.00 0.00 0.02 -0.01 -0.03 0.01 0.00 -0.00 -0.01 -0.00 0.03 0.01 -0.01 0.00 -0.02 0.01 -0.01 -0.01 -0.00 0.47 0.25 0.20 -0.01 0.00 -0.00 0.01 -0.00 0.02 0.01 -0.00 -0.00 0.00 0.00 0.02 -0.01 0.01 -0.01 -0.02 0.01 -0.02 -0.01 0.01 0.01 -0.01 0.01 0.05 -0.00 -0.00 -0.02 -0.01 0.00 0.01 -0.01 -0.00 -0.01 -0.01 0.00 -0.04 -0.03 0.01 0.00 0.01 -0.01 -0.01 0.00 -0.05 -0.19 -0.00 0.01 0.00 -0.01 0.00 0.02 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 -0.01 -0.00 -0.00 0.00 0.00 0.00 0.03 0.02 0.01 -0.00 -0.00 -0.00 -0.00 -0.00 0.01 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.01 0.00 0.00 0.02 0.01 0.01 -0.01 0.01 0.03 -0.00 -0.02 -0.04 0.01 0.01 0.01 -0.00 0.01 -0.01 -0.01 0.01 -0.01 -0.00 0.00 0.01 0.00 -0.01 -0.03 0.04 0.02 0.02 0.00 0.00 -0.00 -0.00 -0.00 0.01 -0.00 0.00 0.02 0.01 -0.02 -0.24 -0.00 0.01 0.14 -0.00 0.03 0.34 0.00 -0.02 -0.14 0.01 -0.04 -0.38 -0.01 0.02 0.27 0.01 -0.02 -0.14 0.01 0.01 0.13 0.00 0.03 0.33 0.01 0.02 0.08 0.00 -0.00 -0.04 -0.02 -0.09 -0.50 0.00 -0.00 0.02 0.01 -0.04 -0.38 0.02 0.02 0.00 0.01 0.00 -0.01 -0.01 -0.00 -0.01 0.00 -0.00 -0.01 0.00 0.01 0.01 -0.01 -0.01 0.02 0.01 -0.00 0.01 0.00 -0.00 -0.00 -0.00 -0.01 -0.00 -0.00 0.00 -0.04 -0.00 0.01 -0.01 -0.01 -0.01 0.00 0.01 0.00 0.01 -0.01 -0.02 0.01 0.01 0.01 0.05 0.01 0.08 0.28 -0.01 -0.02 -0.10 -0.01 0.04 0.16 0.00 -0.02 -0.08 -0.00 -0.03 -0.11 -0.01 -0.09 -0.36 0.01 0.01 0.00 -0.01 -0.01 -0.05 0.00 -0.02 -0.04 0.00 -0.00 0.00 0.00 -0.00 -0.03 -0.01 0.01 0.01 -0.01 0.01 0.04 -0.00 0.00 -0.01 -0.00 -0.00 -0.05 -0.00 0.00 0.03 -0.00 -0.00 -0.01 -0.00 0.00 0.02 -0.00 0.00 0.00 0.00 -0.21 -0.75 0.01 0.03 0.18 -0.00 -0.03 -0.11 0.01 -0.04 -0.18 0.00 -0.01 -0.08 -0.08 0.02 -0.19 0.01 0.11 -0.12 -0.08 0.01 -0.03 0.08 -0.09 -0.11 -0.04 0.02 0.13 -0.03 -0.14 0.30 0.09 -0.11 -0.02 -0.23 -0.18 -0.22 0.05 0.11 -0.02 -0.17 0.13 -0.05 -0.07 0.15 -0.21 -0.12 -0.21 0.04 0.24 0.05 0.13 -0.29 -0.18 0.23 0.09 0.02 -0.01 0.05 0.04 -0.05 -0.01 -0.03 0.01 -0.03 -0.06 -0.01 -0.04 -0.05 0.07 -0.01 0.00 0.01 -0.12 0.10 0.06 -0.07 -0.04 -0.07 -0.05 0.01 -0.00 0.04 -0.06 0.01 0.05 -0.02 0.00 0.01 -0.00 0.00 -0.05 0.04 -0.01 -0.10 0.03 0.00 -0.05 0.02 -0.01 -0.07 0.05 0.01 0.01 -0.01 0.00 -0.03 0.02 -0.00 -0.03 0.01 -0.00 -0.04 0.04 -0.00 -0.01 -0.09 0.18 0.05 -0.06 0.00 0.04 -0.06 0.02 0.07 0.04 0.01 -0.05 0.02 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.01 -0.00 0.00 0.00 0.01 0.01 0.01 -0.00 -0.01 -0.00 0.00 -0.01 -0.02 0.00 -0.00 0.01 0.00 0.01 -0.00 -0.01 -0.00 -0.00 0.01 0.00 -0.00 0.00 -0.05 -0.19 0.00 0.02 0.07 0.00 -0.01 -0.04 -0.00 -0.02 -0.09 -0.01 0.11 0.39 -0.00 0.01 0.00 -0.01 0.18 0.68 0.01 0.01 0.00 -0.00 -0.02 -0.08 0.01 -0.01 -0.06 0.01 -0.00 0.00 0.00 -0.00 -0.01 -0.01 0.00 0.00 -0.01 0.01 0.04 -0.01 -0.00 -0.01 -0.01 0.00 0.00 0.00 -0.00 0.01 -0.01 0.01 0.00 -0.01 0.00 0.01 -0.01 0.00 -0.05 -0.00 0.10 0.39 0.01 0.05 0.26 0.01 -0.04 -0.18 0.00 0.01 0.05 -0.01 -0.00 -0.07 -0.01 -0.04 0.01 0.02 -0.04 0.01 -0.01 -0.04 -0.03 -0.02 0.01 0.01 0.02 0.02 -0.02 0.01 0.04 -0.05 0.00 0.03 0.02 -0.14 -0.02 -0.05 0.02 -0.04 0.01 -0.06 -0.07 0.04 0.01 -0.03 0.04 0.02 0.06 -0.00 -0.03 -0.01 -0.02 -0.10 -0.05 -0.12 0.03 0.01 0.03 -0.00 -0.04 -0.01 0.04 0.02 0.00 -0.07 0.13 -0.02 -0.15 0.09 -0.07 -0.05 0.08 -0.02 -0.05 0.07 -0.10 -0.08 -0.01 -0.00 -0.05 -0.00 0.01 0.27 -0.07 0.01 0.22 -0.11 0.02 0.00 0.01 -0.01 -0.17 0.05 -0.00 -0.24 0.04 -0.05 -0.21 -0.04 0.01 -0.30 0.10 -0.09 0.10 -0.05 0.01 -0.12 0.15 -0.02 -0.14 0.10 -0.02 -0.20 0.20 -0.00 0.03 -0.06 -0.02 0.11 -0.12 0.00 0.31 -0.10 0.07 0.03 -0.01 -0.00 -0.33 0.14 -0.02 -0.20 -0.09 -0.08 -0.02 0.02 -0.00 0.07 0.06 0.05 0.00 -0.00 -0.00 -0.08 -0.06 -0.02 -0.05 -0.03 -0.02 -0.06 -0.04 -0.05 0.34 0.15 0.13 0.08 0.06 0.04 -0.02 0.00 -0.01 0.00 0.01 -0.02 -0.00 -0.03 -0.00 -0.01 0.01 0.00 0.55 0.31 0.26 -0.02 0.00 -0.00 -0.01 -0.01 0.01 0.03 -0.02 0.01 0.01 -0.01 0.00 -0.04 -0.03 0.00 0.00 0.02 -0.01 0.01 0.02 -0.01 0.41 0.19 0.18 0.01 -0.01 0.00 0.02 0.01 -0.00 0.02 -0.01 0.00 -0.00 0.00 -0.01 -0.01 -0.01 0.02 0.01 -0.02 -0.10 -0.02 -0.02 0.02 -0.03 -0.01 -0.10 0.01 -0.01 -0.01 -0.01 0.02 -0.01 -0.01 0.02 -0.01 -0.01 0.02 0.05 0.03 -0.01 -0.01 -0.01 0.00 0.00 0.03 0.01 0.01 -0.01 -0.01 -0.00 -0.04 0.02 0.04 -0.02 -0.01 -0.01 -0.00 0.00 -0.00 0.01 0.01 0.00 0.01 0.00 0.00 -0.01 -0.01 -0.00 -0.01 -0.00 -0.00 -0.01 -0.00 -0.01 0.04 0.02 0.01 0.01 0.01 0.01 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.01 -0.00 -0.00 0.07 0.04 0.03 -0.00 -0.00 -0.01 -0.00 -0.01 -0.01 0.00 0.00 0.01 -0.00 0.00 0.00 -0.01 -0.01 -0.04 -0.00 0.00 0.00 -0.00 -0.00 -0.03 0.05 0.02 0.02 0.00 0.00 0.00 0.00 -0.00 -0.01 0.01 -0.00 -0.00 -0.00 0.00 0.03 -0.00 -0.01 -0.09 -0.02 0.05 0.60 -0.00 -0.01 -0.09 -0.03 0.05 0.57 0.00 0.00 0.04 -0.00 0.01 0.04 -0.00 0.01 0.06 0.01 -0.04 -0.40 0.00 -0.01 -0.04 0.00 -0.00 -0.00 -0.00 0.03 0.11 -0.00 -0.00 0.00 -0.00 -0.02 -0.31 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 0.01 0.01 0.00 0.00 -0.01 0.00 -0.00 -0.00 -0.02 0.00 -0.00 0.00 0.00 0.00 0.00 -0.01 -0.00 -0.00 0.02 0.00 0.00 0.01 0.04 0.16 0.00 0.04 0.15 -0.00 -0.03 -0.14 -0.00 -0.01 -0.05 -0.00 0.16 0.59 -0.00 -0.02 -0.08 -0.01 0.07 0.29 0.01 0.01 0.01 -0.00 0.01 0.03 -0.00 -0.00 0.03 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.01 -0.00 0.00 0.05 -0.00 0.00 -0.01 -0.00 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 -0.03 -0.01 0.16 0.62 0.00 -0.03 -0.14 -0.01 0.01 0.06 0.00 -0.02 -0.07 0.00 -0.00 -0.02 0.20 0.17 0.12 -0.06 0.04 0.01 -0.04 0.03 0.03 -0.01 0.01 -0.00 0.05 -0.02 0.04 0.03 -0.00 0.01 0.02 -0.00 -0.02 0.02 -0.04 0.01 -0.07 0.03 -0.03 0.14 0.05 -0.03 -0.00 0.01 -0.03 -0.01 -0.04 -0.00 0.04 0.00 0.01 -0.23 -0.05 -0.06 -0.15 0.00 0.00 -0.03 -0.00 0.01 0.02 -0.04 0.01 0.08 -0.11 0.03 0.03 -0.13 0.06 0.05 0.01 -0.01 0.12 -0.04 0.03 -0.17 -0.14 -0.11 0.05 -0.10 0.02 0.00 0.17 -0.02 0.09 -0.05 0.02 -0.04 0.02 -0.06 -0.03 -0.19 0.04 0.18 -0.19 -0.10 -0.12 -0.18 0.04 -0.18 -0.11 -0.14 0.04 -0.01 -0.04 0.02 0.18 0.02 0.07 0.15 0.04 0.14 0.02 -0.31 0.02 0.06 -0.00 -0.18 0.09 -0.03 0.06 0.10 -0.05 -0.08 -0.01 -0.00 -0.15 0.15 -0.28 0.03 0.02 0.01 -0.01 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.01 -0.00 0.00 -0.01 0.00 -0.00 0.02 0.01 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.02 -0.00 -0.00 -0.02 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.01 -0.00 0.01 -0.01 0.00 0.00 -0.01 0.01 0.00 -0.00 -0.00 0.01 -0.01 0.00 -0.01 -0.01 -0.01 0.01 -0.01 -0.00 -0.01 0.01 -0.03 0.02 -0.01 -0.02 -0.01 0.02 0.11 -0.01 -0.04 -0.05 0.02 -0.01 0.30 -0.02 -0.04 -0.05 -0.05 0.01 0.29 0.00 0.01 0.11 0.01 0.03 -0.09 0.02 0.02 -0.12 0.02 0.07 0.70 0.00 0.01 0.00 -0.02 0.02 0.01 -0.02 0.01 -0.03 -0.01 -0.00 -0.00 -0.03 0.09 0.51 0.20 0.19 0.14 -0.08 0.05 0.02 -0.04 0.05 0.05 -0.01 0.02 0.01 0.03 -0.04 0.04 0.02 0.01 -0.01 0.01 -0.00 -0.05 0.09 -0.00 0.01 -0.04 0.04 -0.01 0.12 -0.00 -0.02 -0.00 0.01 -0.03 -0.01 -0.05 -0.01 0.04 0.00 0.01 -0.14 0.05 -0.03 -0.12 -0.01 0.01 -0.04 -0.03 0.02 0.04 -0.05 0.01 0.03 -0.03 0.01 -0.11 -0.09 0.04 0.03 0.08 -0.02 0.08 0.04 -0.00 -0.10 -0.12 -0.07 -0.01 -0.12 0.02 0.28 0.15 -0.04 -0.06 0.02 -0.01 0.05 -0.00 0.02 0.05 0.16 -0.03 -0.06 0.17 0.10 0.08 0.10 -0.02 0.14 0.02 0.06 0.03 0.01 0.04 -0.11 -0.21 0.01 -0.19 -0.13 -0.01 -0.36 0.12 0.09 0.04 0.02 0.01 -0.08 -0.01 -0.00 0.41 0.01 0.01 -0.07 -0.01 -0.00 -0.07 -0.22 0.07 0.07 -0.31 -0.18 0.15 -0.17 -0.10 0.14 -0.15 -0.14 0.08 -0.07 -0.03 -0.06 0.11 -0.09 -0.02 -0.08 0.13 -0.04 0.01 0.16 -0.23 -0.03 0.05 0.04 -0.04 -0.01 -0.13 0.23 -0.03 -0.01 -0.02 0.07 0.02 0.12 0.02 -0.11 0.01 -0.02 0.21 -0.37 0.04 -0.01 0.02 -0.01 0.06 0.09 -0.03 -0.02 -0.02 -0.00 0.03 -0.13 0.04 0.07 -0.12 0.01 0.01 -0.03 0.02 -0.07 0.01 -0.07 0.11 0.21 0.05 -0.02 -0.13 0.03 0.11 0.17 -0.04 -0.01 -0.00 -0.00 0.01 0.01 0.00 0.03 -0.01 0.00 0.10 -0.01 0.01 -0.00 -0.03 -0.00 0.00 -0.04 -0.00 0.01 0.02 0.01 -0.03 -0.05 0.00 -0.05 -0.01 -0.01 -0.09 0.07 0.03 -0.02 -0.06 0.06 -0.15 0.04 -0.00 0.21 0.07 -0.02 0.05 0.02 -0.00 -0.07 -0.05 -0.00 0.81 0.38 0.32 -0.13 -0.08 -0.07 0.07 0.03 0.02 0.02 0.00 0.00 -0.03 -0.01 -0.02 0.01 0.00 0.01 0.01 0.00 0.01 -0.10 -0.05 -0.03 0.06 0.03 0.03 -0.03 0.01 -0.01 -0.00 0.00 -0.00 -0.00 -0.01 -0.00 -0.03 0.00 -0.00 -0.04 -0.05 -0.02 0.00 0.00 -0.00 -0.01 -0.01 -0.00 0.01 -0.01 0.01 -0.00 -0.00 -0.00 -0.03 -0.01 0.00 -0.00 0.01 -0.00 -0.01 0.03 0.00 0.14 0.08 0.06 0.00 0.02 -0.00 -0.01 -0.03 0.01 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.01 0.00 0.01 -0.01 -0.00 -0.05 0.00 0.00 -0.00 -0.00 0.01 0.02 -0.00 -0.00 -0.00 0.00 0.01 -0.00 0.01 0.00 0.00 0.01 -0.01 -0.01 0.01 -0.01 -0.01 0.02 -0.00 0.00 -0.03 -0.02 -0.03 -0.00 -0.01 0.00 0.01 0.01 0.01 -0.01 -0.01 -0.01 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -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 -0.00 -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 0.06 0.00 -0.01 -0.03 -0.00 0.03 0.11 0.00 -0.01 -0.02 -0.00 0.04 0.16 0.00 -0.03 -0.12 -0.00 0.18 0.72 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 -0.00 0.00 0.00 0.01 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.01 0.01 -0.16 -0.60 -0.00 -0.01 -0.04 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.01 0.11 0.02 0.02 -0.01 -0.03 -0.02 -0.01 -0.03 -0.03 0.00 -0.01 -0.01 0.09 0.06 0.04 -0.00 -0.01 0.01 -0.11 -0.05 -0.03 0.59 0.30 0.26 0.06 0.03 0.03 -0.03 0.03 -0.01 -0.00 -0.00 0.01 0.00 0.02 0.00 -0.00 -0.00 -0.00 0.05 -0.02 0.02 -0.00 0.00 0.00 -0.01 -0.00 -0.00 0.02 -0.01 0.00 -0.00 -0.01 0.00 -0.04 -0.02 0.01 -0.00 0.01 -0.00 -0.01 0.02 0.00 -0.55 -0.26 -0.25 0.00 0.01 -0.00 -0.01 -0.02 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.01 0.00 -0.02 0.00 0.00 -0.00 -0.00 0.01 0.01 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.01 -0.01 -0.01 0.02 -0.02 -0.01 0.01 -0.00 0.00 -0.01 -0.01 -0.00 -0.00 -0.01 0.00 0.00 0.00 0.01 0.04 0.02 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 0.01 0.01 0.01 0.01 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.01 -0.01 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.01 -0.00 -0.00 -0.01 -0.00 0.00 0.03 0.00 -0.01 -0.11 -0.01 0.06 0.65 -0.00 0.01 0.11 0.03 -0.06 -0.65 -0.00 -0.00 -0.03 0.00 0.01 0.04 0.00 -0.00 -0.03 -0.00 0.01 0.20 -0.00 0.00 0.01 0.00 -0.00 -0.00 -0.00 -0.01 -0.03 0.00 0.00 0.00 0.01 -0.03 -0.27 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.01 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.01 -0.00 0.01 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.01 0.00 0.00 0.00 0.00 -0.00 -0.01 0.00 -0.00 -0.04 -0.00 0.02 0.22 -0.00 0.00 0.04 0.01 -0.02 -0.24 0.00 0.00 0.02 0.00 -0.01 -0.12 -0.00 0.01 0.10 0.01 -0.06 -0.55 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 0.08 0.74 0.15 0.19 0.16 -0.07 0.00 0.02 -0.03 0.04 0.04 -0.03 0.03 0.02 0.03 0.03 0.03 -0.04 0.03 -0.08 0.04 -0.02 -0.07 0.02 -0.01 -0.10 0.06 -0.02 0.05 -0.15 -0.18 0.05 0.00 0.00 -0.02 -0.00 -0.02 -0.01 0.03 -0.00 0.00 0.21 0.29 0.08 0.19 0.05 -0.01 0.10 0.02 -0.01 -0.14 0.09 -0.02 -0.01 0.06 -0.02 0.44 0.27 -0.05 -0.02 -0.13 0.04 -0.10 -0.08 0.01 -0.25 -0.10 -0.05 -0.07 -0.14 0.03 0.03 0.18 -0.04 -0.01 -0.00 0.00 0.01 0.01 -0.00 0.03 -0.06 0.01 0.15 -0.05 0.01 -0.02 -0.04 -0.00 -0.00 -0.07 0.02 -0.03 0.05 0.01 -0.01 -0.02 -0.01 0.00 0.01 0.00 -0.03 0.05 -0.03 -0.15 0.01 -0.02 -0.14 0.01 0.00 0.10 0.12 -0.03 0.20 0.08 -0.02 -0.00 -0.02 0.05 0.06 0.01 0.02 -0.01 -0.01 -0.01 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.06 0.03 0.02 -0.11 -0.06 -0.04 0.06 0.04 0.04 -0.40 -0.20 -0.16 -0.01 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 0.62 0.29 0.27 -0.02 -0.01 0.00 -0.01 -0.00 0.00 0.01 -0.01 0.00 0.00 -0.01 0.00 -0.05 -0.03 0.01 0.00 0.01 -0.00 0.01 0.01 -0.00 -0.36 -0.18 -0.18 0.01 0.01 -0.00 -0.00 -0.02 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.01 -0.00 -0.02 0.01 0.00 0.00 0.00 0.00 0.00 0.01 -0.01 0.00 -0.01 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.01 0.00 0.01 -0.00 0.00 0.01 -0.00 -0.00 -0.01 -0.01 0.00 -0.02 -0.01 0.00 -0.00 0.00 -0.00 0.04 0.02 0.03 -0.01 -0.01 0.00 0.01 -0.01 -0.00 0.00 -0.00 -0.00 -0.00 0.01 -0.00 -0.00 0.00 0.00 0.00 -0.01 -0.00 0.01 -0.00 -0.00 -0.00 0.01 -0.00 -0.01 -0.02 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.01 -0.05 0.01 0.01 0.01 -0.00 0.41 -0.07 0.03 -0.01 0.06 -0.03 0.01 0.08 0.10 -0.24 -0.32 0.09 -0.16 -0.43 0.03 -0.01 0.01 0.00 0.00 -0.01 0.00 0.01 0.02 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.01 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.01 -0.00 0.00 0.00 0.00 -0.00 -0.01 -0.00 0.00 -0.01 -0.00 0.00 0.42 -0.25 0.02 0.01 -0.01 0.00 -0.02 0.05 -0.01 -0.17 0.38 -0.10 0.01 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.01 -0.00 0.00 0.01 -0.01 0.02 0.06 0.00 -0.04 -0.13 -0.01 0.19 0.76 0.01 0.03 0.08 0.01 -0.10 -0.45 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.01 -0.08 -0.35 0.00 0.00 0.01 -0.00 -0.00 0.00 0.00 -0.01 -0.01 0.00 -0.00 -0.00 -0.09 -0.15 0.38 -0.07 -0.15 0.37 0.02 -0.03 -0.03 0.03 -0.02 -0.02 -0.14 0.35 -0.10 -0.01 -0.02 0.06 0.21 -0.20 -0.27 0.22 -0.18 -0.30 -0.02 0.04 -0.02 0.02 0.02 -0.00 -0.00 -0.00 0.01 0.00 0.01 0.00 -0.01 0.00 -0.00 -0.03 -0.02 0.03 -0.02 -0.00 0.00 -0.00 0.01 -0.00 0.00 -0.01 0.00 0.00 -0.01 0.01 -0.05 -0.04 -0.02 0.01 0.02 -0.01 0.02 0.02 0.02 -0.13 0.37 -0.11 0.01 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 -0.02 0.00 -0.00 0.00 0.01 0.00 -0.00 0.01 -0.01 0.00 -0.01 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.01 0.01 0.01 0.00 -0.00 -0.01 -0.01 0.01 -0.02 -0.02 0.00 -0.01 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 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 0.01 0.00 -0.00 0.00 -0.00 -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 0.02 -0.01 0.00 0.07 0.19 -0.01 0.48 0.22 -0.02 -0.10 -0.14 0.01 0.06 -0.39 0.05 0.01 -0.00 0.00 0.06 0.16 -0.01 -0.11 -0.17 0.01 0.10 -0.50 0.06 -0.00 0.01 -0.00 -0.01 0.01 -0.00 -0.01 0.00 0.01 0.00 -0.00 0.00 0.35 0.19 -0.02 -0.35 0.49 0.18 -0.05 0.07 0.05 0.06 -0.05 -0.15 0.22 0.04 -0.11 0.06 -0.12 0.01 -0.04 -0.01 0.12 0.01 0.04 -0.07 -0.02 0.34 -0.33 -0.01 0.00 0.01 0.01 -0.01 0.00 -0.02 -0.02 0.08 -0.02 -0.00 0.01 -0.09 0.00 -0.01 -0.25 0.29 0.22 0.01 -0.00 -0.00 -0.00 -0.01 0.00 -0.01 -0.00 0.00 -0.00 0.01 -0.00 0.02 0.02 -0.01 0.00 -0.00 0.00 0.02 -0.02 0.01 0.08 -0.14 -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 0.05 0.00 0.01 -0.01 -0.00 0.00 -0.02 0.02 -0.04 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.01 -0.01 0.00 0.00 -0.00 0.00 -0.01 0.01 -0.01 0.00 0.01 -0.00 0.01 0.00 0.00 -0.03 0.05 0.03 -0.00 0.00 0.01 0.01 0.01 -0.00 -0.04 -0.00 -0.03 0.00 -0.01 -0.00 -0.00 0.00 0.01 0.00 0.01 -0.01 -0.01 0.06 -0.06 0.00 -0.02 0.00 0.00 -0.00 0.00 0.00 -0.00 0.01 0.00 0.00 0.00 0.02 -0.00 0.00 -0.02 0.02 0.01 -0.01 0.03 -0.01 -0.02 -0.00 0.00 0.06 0.08 -0.02 0.07 -0.09 0.02 0.16 -0.06 0.02 -0.13 -0.01 0.00 -0.57 0.30 -0.08 0.02 -0.01 -0.03 0.01 0.01 -0.00 0.00 -0.03 0.01 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.01 0.01 -0.00 -0.06 0.01 -0.00 0.01 0.00 -0.00 0.01 -0.00 0.01 0.02 -0.01 0.00 -0.00 -0.00 0.00 -0.01 -0.00 -0.00 -0.01 -0.00 0.00 0.09 0.66 -0.17 -0.02 0.02 -0.00 0.05 -0.07 0.02 0.04 -0.05 0.01 -0.04 -0.01 -0.00 0.01 -0.16 -0.14 0.03 0.04 -0.05 -0.10 -0.03 0.04 0.43 0.10 0.28 -0.03 0.07 0.04 0.03 0.04 -0.10 0.02 -0.08 0.03 0.08 -0.45 0.35 -0.01 0.01 0.01 0.01 -0.01 -0.01 -0.03 0.02 -0.11 -0.05 -0.08 -0.03 -0.15 -0.00 -0.04 0.04 0.01 -0.12 -0.00 0.01 -0.00 -0.01 -0.01 0.00 0.02 0.03 -0.01 0.02 -0.03 0.01 0.06 -0.02 0.00 -0.04 -0.01 0.00 -0.20 0.10 -0.03 -0.20 0.05 0.23 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 0.01 -0.00 0.10 0.01 0.01 -0.01 -0.00 0.01 -0.06 0.07 -0.07 0.01 -0.00 -0.00 0.01 0.00 -0.00 -0.01 -0.01 0.00 -0.01 -0.01 -0.00 0.03 0.24 -0.06 -0.00 0.01 -0.00 0.00 -0.01 -0.00 0.01 -0.02 0.00 0.02 0.00 0.00 0.15 -0.35 -0.03 0.01 -0.07 0.07 -0.06 0.04 0.04 0.03 0.16 0.05 0.04 -0.01 -0.08 0.01 -0.05 0.05 -0.05 0.10 0.01 -0.10 0.48 -0.32 0.01 0.00 -0.03 -0.01 -0.01 0.01 -0.00 -0.01 -0.02 -0.01 -0.07 -0.01 0.00 -0.01 -0.00 0.14 -0.27 -0.01 0.01 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.01 -0.00 -0.00 -0.00 0.00 -0.01 0.01 -0.00 0.25 -0.02 -0.53 -0.00 -0.00 0.00 0.00 0.01 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.03 -0.00 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 -0.01 0.01 0.00 -0.00 0.00 -0.01 0.01 -0.01 0.00 0.00 0.00 0.02 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.01 -0.02 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.01 0.00 -0.00 0.00 0.00 -0.00 0.00 0.01 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.03 -0.02 0.00 -0.02 -0.00 0.00 0.02 0.00 -0.00 -0.01 0.00 -0.00 -0.11 -0.04 0.01 -0.00 0.02 -0.00 -0.09 0.08 -0.02 0.00 -0.00 -0.01 -0.02 -0.00 0.00 -0.01 0.01 -0.00 -0.00 -0.00 0.00 0.00 0.02 -0.00 0.04 -0.07 0.01 0.56 -0.04 0.01 -0.08 0.01 -0.00 -0.26 0.27 -0.03 -0.02 0.06 -0.01 0.05 -0.05 0.01 -0.05 0.01 -0.00 -0.30 0.39 -0.04 0.02 0.07 -0.02 0.04 -0.03 0.01 -0.03 0.03 -0.01 -0.02 -0.01 0.00 0.48 -0.03 0.01 -0.01 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.04 0.03 -0.01 0.00 -0.01 0.03 0.01 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.14 -0.07 0.02 -0.05 -0.00 0.00 0.06 0.02 -0.00 -0.07 0.02 -0.00 -0.50 -0.18 0.04 0.02 0.04 -0.01 -0.23 0.23 -0.06 -0.01 0.00 0.01 -0.07 -0.07 0.01 0.02 0.14 -0.03 -0.01 0.00 -0.00 0.00 -0.01 0.00 0.02 -0.03 0.00 -0.06 -0.04 0.00 0.01 -0.00 0.00 0.14 -0.20 0.02 -0.13 0.04 -0.01 -0.04 0.03 -0.01 0.08 0.01 0.00 0.28 -0.30 0.04 0.07 0.22 -0.06 0.11 -0.12 0.02 -0.18 0.36 -0.07 -0.05 -0.03 0.01 -0.15 0.04 -0.00 0.05 -0.11 -0.08 0.06 -0.06 -0.05 -0.00 0.01 -0.03 -0.04 0.46 -0.29 -0.06 0.04 0.09 0.01 0.04 -0.05 0.02 -0.06 0.02 0.06 -0.43 0.33 0.02 -0.05 0.02 -0.01 0.04 -0.01 0.00 -0.07 0.13 -0.02 -0.14 0.01 0.03 -0.03 0.02 -0.01 0.07 -0.05 -0.00 -0.00 0.00 0.00 0.02 -0.01 0.01 0.00 0.00 -0.01 -0.01 0.00 -0.09 -0.05 0.01 0.01 0.00 0.00 0.03 -0.02 0.00 -0.22 0.07 0.45 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 -0.01 0.00 -0.01 -0.00 0.00 0.00 -0.02 -0.00 0.00 0.01 -0.00 0.01 -0.00 0.00 -0.01 0.00 -0.00 -0.07 0.10 -0.01 0.01 -0.02 0.00 0.00 0.00 -0.00 0.00 -0.01 -0.02 -0.01 -0.00 0.00 0.09 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 0.01 0.00 -0.00 0.00 0.00 0.00 -0.01 0.00 -0.00 -0.00 -0.00 0.06 -0.05 0.01 -0.02 0.01 -0.02 0.01 -0.00 0.00 0.00 -0.01 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.01 -0.01 -0.01 0.01 0.04 -0.01 0.04 -0.02 0.00 0.00 0.04 -0.01 -0.07 -0.03 0.01 -0.52 -0.24 0.06 0.03 -0.04 0.01 0.43 -0.34 0.09 -0.01 -0.00 0.02 0.00 0.00 -0.00 -0.00 -0.02 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.01 0.01 -0.00 -0.02 0.01 -0.00 0.00 -0.00 0.00 -0.01 0.02 -0.00 0.03 -0.01 0.00 0.01 -0.00 0.00 -0.01 -0.00 -0.00 -0.04 0.04 -0.00 0.02 0.54 -0.14 -0.03 0.02 -0.00 0.03 -0.05 0.01 0.03 0.02 -0.01 -0.00 -0.00 0.00 0.01 -0.01 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.01 0.01 -0.01 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.01 0.01 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.01 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.01 0.01 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.02 0.01 -0.00 -0.00 -0.00 0.00 0.03 -0.03 0.01 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.01 0.00 0.04 -0.02 0.00 -0.09 0.04 -0.01 0.02 0.00 0.00 0.59 0.05 0.01 0.01 0.07 -0.01 -0.19 0.37 -0.04 0.01 -0.01 0.00 -0.05 -0.05 0.00 0.01 -0.02 0.00 0.28 -0.46 0.05 -0.00 0.01 -0.00 -0.00 0.00 0.00 0.00 -0.01 -0.00 0.01 0.00 -0.00 -0.39 -0.07 0.00 -0.17 0.27 0.09 -0.01 0.02 0.00 -0.00 0.00 0.00 -0.01 0.02 0.03 -0.02 0.00 0.05 0.04 -0.04 -0.05 0.01 0.01 -0.03 -0.04 0.36 -0.34 0.02 -0.06 0.02 -0.01 0.03 -0.01 0.00 0.00 -0.01 0.00 -0.01 -0.00 0.00 -0.00 -0.00 0.31 -0.45 -0.18 -0.00 -0.01 0.00 0.00 0.02 -0.01 0.01 -0.00 0.00 0.00 -0.01 0.00 0.00 -0.01 0.00 0.00 0.01 -0.00 -0.05 0.04 -0.01 -0.23 0.02 0.47 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.01 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -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 -0.11 0.03 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.01 -0.01 0.00 0.00 -0.00 0.00 0.27 -0.39 -0.16 -0.01 0.03 -0.01 0.01 0.01 -0.03 0.06 -0.05 -0.11 -0.02 0.01 0.04 0.03 -0.08 0.04 -0.02 0.05 -0.02 -0.01 -0.02 0.06 -0.09 0.22 -0.04 0.05 -0.09 0.02 -0.01 -0.00 0.04 -0.00 0.02 0.01 -0.02 0.00 0.00 0.29 -0.49 -0.09 -0.00 0.02 -0.01 -0.01 -0.10 0.03 -0.03 -0.02 0.00 0.00 0.04 -0.01 0.16 0.11 -0.03 -0.02 -0.01 0.00 0.10 -0.10 0.03 -0.15 0.02 0.32 -0.01 -0.01 0.00 0.00 0.01 -0.00 -0.00 0.00 -0.00 0.01 -0.01 0.00 0.00 -0.00 0.00 -0.01 -0.00 -0.00 -0.00 0.00 0.00 -0.01 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 -0.03 0.30 -0.08 0.02 -0.02 0.00 -0.04 0.05 -0.01 0.04 0.02 -0.01 -0.01 0.00 -0.00 -0.02 0.03 0.01 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.01 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.01 -0.01 0.01 -0.02 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 -0.01 0.02 0.00 -0.03 0.01 -0.00 -0.00 -0.01 0.00 -0.01 -0.00 0.00 0.01 -0.01 0.00 0.07 0.02 -0.00 -0.01 0.00 -0.00 0.04 -0.04 0.01 0.01 0.00 -0.01 -0.01 -0.01 0.00 -0.04 0.03 -0.01 -0.09 0.05 -0.01 0.22 -0.13 0.02 0.08 0.01 0.00 -0.03 -0.01 -0.00 -0.08 0.02 -0.00 -0.42 0.51 -0.06 0.07 -0.08 0.01 -0.01 0.08 -0.01 0.02 -0.04 0.00 -0.06 0.10 -0.01 -0.00 0.02 -0.01 0.03 -0.03 0.01 -0.23 0.24 -0.06 0.01 -0.00 0.00 -0.54 0.06 -0.01 0.08 -0.12 -0.05 -0.01 0.01 -0.00 -0.00 0.01 -0.01 0.02 -0.02 -0.03 -0.00 -0.00 0.00 0.00 -0.01 0.01 -0.01 0.01 -0.00 -0.00 -0.01 0.02 -0.03 0.06 -0.01 0.01 -0.08 0.02 -0.00 -0.00 0.01 -0.00 0.01 0.00 -0.01 0.00 0.00 0.03 -0.06 -0.00 0.15 -0.04 0.01 0.04 0.08 -0.02 0.04 0.06 -0.02 -0.05 0.00 -0.00 -0.41 -0.16 0.04 0.09 -0.02 0.01 -0.33 0.30 -0.08 -0.02 -0.00 0.04 0.04 0.03 -0.01 -0.03 -0.04 0.01 -0.02 0.01 -0.00 0.06 -0.01 0.00 -0.01 0.00 -0.00 0.06 0.00 0.00 -0.02 -0.03 0.00 -0.08 0.06 -0.01 0.06 0.04 -0.00 -0.03 -0.00 -0.00 0.01 -0.04 0.00 -0.04 0.05 -0.01 0.04 -0.27 0.07 -0.14 0.10 -0.02 0.30 -0.40 0.08 -0.10 -0.04 0.01 -0.29 -0.02 -0.00 -0.03 0.04 0.02 0.00 -0.00 -0.00 0.00 -0.01 0.00 -0.01 0.01 0.01 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.01 -0.01 0.00 -0.01 0.02 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.01 0.01 0.00 -0.08 -0.00 0.00 -0.01 -0.00 0.00 -0.02 -0.04 0.01 0.03 -0.01 0.00 0.14 0.04 -0.01 -0.05 0.02 -0.01 0.19 -0.16 0.04 0.00 0.00 -0.01 0.02 0.05 -0.01 0.11 -0.09 0.01 -0.06 0.03 -0.00 0.17 -0.00 0.00 -0.01 -0.11 0.01 0.25 -0.11 0.02 -0.08 -0.04 0.00 0.01 -0.21 0.02 -0.18 0.24 -0.03 -0.16 0.02 -0.00 0.14 -0.05 0.01 0.18 -0.08 0.01 -0.01 0.13 -0.03 0.03 -0.02 0.00 0.48 -0.50 0.11 0.05 0.03 -0.01 -0.10 0.03 -0.01 0.05 -0.03 -0.01 -0.02 0.02 0.00 0.02 -0.03 -0.02 0.00 0.01 0.01 0.02 -0.01 -0.02 -0.02 0.01 0.03 -0.01 -0.00 0.02 0.00 0.00 0.03 -0.03 0.09 -0.05 -0.05 -0.21 0.06 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.04 -0.08 0.00 -0.20 -0.12 0.03 0.06 0.40 -0.10 0.02 0.02 -0.00 0.15 -0.10 0.03 -0.52 -0.43 0.11 -0.10 0.08 -0.02 0.14 -0.11 0.03 -0.03 -0.01 0.09 0.00 0.00 -0.00 -0.00 0.02 -0.00 0.00 -0.00 0.00 -0.02 -0.01 0.00 0.02 -0.00 0.00 -0.02 -0.00 -0.00 -0.00 0.02 -0.00 -0.01 0.04 -0.00 -0.03 -0.03 0.00 0.01 0.01 -0.00 -0.00 0.02 -0.00 0.05 -0.06 0.01 0.02 -0.22 0.06 0.07 -0.05 0.01 -0.10 0.13 -0.02 0.13 0.00 -0.00 0.12 0.01 -0.00 -0.36 0.56 0.20 -0.00 -0.00 0.01 0.06 -0.13 0.02 -0.06 0.08 0.07 0.01 0.00 -0.03 -0.04 0.03 0.07 -0.02 0.03 0.01 0.03 -0.32 0.33 0.03 0.08 -0.16 0.00 -0.02 0.02 0.01 -0.00 -0.02 -0.00 -0.02 -0.00 0.01 -0.00 -0.00 0.20 -0.36 -0.05 0.03 -0.00 0.00 -0.02 -0.03 0.01 -0.00 -0.02 0.00 -0.01 0.02 -0.01 0.02 0.04 -0.01 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.07 -0.01 -0.14 0.00 0.00 -0.00 -0.01 0.00 -0.00 0.00 -0.00 0.00 -0.01 -0.00 0.00 -0.01 0.00 -0.00 0.03 0.01 0.00 0.00 -0.00 0.00 0.02 -0.03 0.01 0.02 0.01 0.00 0.00 -0.00 0.00 -0.00 -0.01 0.00 -0.03 0.04 -0.00 -0.00 0.08 -0.02 -0.01 0.01 -0.00 0.01 -0.03 0.01 0.01 -0.00 0.00 -0.07 -0.01 0.00 -0.09 0.14 0.04 -0.05 0.08 0.02 -0.12 -0.01 0.27 0.15 -0.11 -0.26 -0.01 0.02 0.01 -0.02 0.10 -0.06 0.00 -0.04 0.05 0.01 -0.05 0.05 0.10 -0.10 -0.10 -0.02 0.02 -0.00 -0.01 -0.01 0.05 -0.00 0.04 0.02 -0.03 0.01 0.01 0.30 -0.41 -0.24 -0.00 -0.01 0.00 -0.01 0.02 -0.01 0.00 0.01 -0.00 0.01 -0.01 0.00 -0.06 -0.04 0.01 0.00 -0.00 0.00 -0.01 0.00 0.00 0.20 0.00 -0.46 -0.00 -0.00 0.00 0.01 -0.01 0.00 -0.00 -0.00 0.00 0.03 0.04 -0.00 0.01 -0.01 0.00 -0.15 -0.02 -0.00 0.00 -0.02 0.00 -0.11 0.15 -0.03 -0.02 -0.01 0.00 -0.02 -0.00 0.00 -0.01 0.00 -0.00 0.08 -0.14 0.02 0.00 -0.07 0.02 -0.01 0.01 -0.00 -0.01 0.02 -0.01 0.02 0.00 -0.00 0.19 0.01 0.00 -0.01 0.02 0.01 0.01 -0.01 -0.00 0.02 -0.01 -0.03 -0.02 0.02 0.04 0.00 -0.00 -0.00 0.00 -0.01 0.01 -0.00 0.01 -0.01 0.00 -0.02 0.02 -0.01 0.02 0.00 0.00 -0.01 0.00 0.00 0.00 -0.01 0.00 -0.01 -0.00 0.01 -0.00 -0.00 -0.02 0.03 0.03 0.01 0.01 -0.00 0.01 -0.01 0.00 0.00 0.01 -0.00 -0.01 -0.00 0.00 0.01 0.01 -0.00 0.01 -0.01 0.00 -0.02 0.01 -0.00 -0.02 -0.00 0.05 -0.00 -0.01 0.00 0.01 -0.00 0.00 -0.01 -0.01 0.00 0.08 0.14 -0.01 0.02 -0.02 0.00 -0.41 -0.06 -0.00 0.02 -0.06 0.01 -0.33 0.44 -0.05 -0.01 -0.02 0.00 -0.07 -0.02 0.00 -0.03 -0.00 -0.00 0.22 -0.39 0.05 0.00 -0.01 0.00 -0.01 0.02 -0.00 -0.02 0.03 -0.01 -0.02 -0.01 0.00 0.51 0.01 0.00 0.03 -0.06 -0.02 -0.00 0.00 0.00 -0.01 0.02 0.01 0.01 -0.01 -0.01 -0.00 0.00 -0.00 0.01 0.00 -0.01 0.00 -0.01 0.01 -0.01 0.06 -0.06 0.00 -0.03 0.02 0.01 0.03 -0.01 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.03 0.06 0.00 0.01 -0.07 0.02 -0.09 0.02 -0.01 -0.01 -0.06 0.02 0.05 0.04 -0.01 -0.09 -0.03 0.01 -0.05 0.03 -0.01 0.04 -0.04 0.01 -0.01 0.00 0.02 -0.01 -0.00 0.00 -0.16 0.07 -0.01 0.02 -0.01 0.00 0.05 0.23 -0.02 -0.24 0.01 -0.01 0.13 0.04 0.00 0.13 -0.21 0.02 0.03 -0.05 0.00 0.32 0.23 -0.02 -0.13 -0.06 0.00 0.04 -0.23 0.02 -0.31 0.28 -0.04 -0.01 0.06 -0.02 0.07 -0.07 0.01 -0.34 0.25 -0.06 0.08 0.02 -0.00 -0.32 -0.08 0.00 -0.26 0.41 0.13 0.10 -0.16 -0.06 -0.04 0.10 -0.03 0.03 -0.04 -0.02 -0.10 0.03 0.19 0.08 -0.11 -0.06 -0.02 0.16 -0.13 0.03 -0.28 0.23 -0.06 -0.01 0.12 0.00 0.00 0.01 -0.00 0.00 0.00 0.00 0.01 -0.00 -0.00 0.00 -0.00 0.07 -0.10 -0.06 0.01 -0.06 0.02 -0.05 0.02 -0.01 -0.01 -0.03 0.01 0.04 0.03 -0.01 -0.13 -0.05 0.01 -0.02 0.01 -0.00 -0.01 0.01 -0.00 0.25 -0.00 -0.55 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 -0.03 0.00 -0.00 -0.00 0.00 -0.00 -0.01 0.02 -0.00 -0.00 -0.01 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 0.02 -0.00 0.03 -0.05 0.01 0.05 0.02 -0.01 0.00 0.00 0.00 -0.10 0.18 0.05 0.03 -0.04 -0.02 -0.01 0.02 0.00 0.02 -0.02 -0.02 -0.03 0.01 0.06 0.01 -0.02 -0.01 -0.01 0.05 -0.05 0.02 -0.13 0.12 -0.02 0.03 0.02 -0.02 -0.08 0.03 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.08 -0.13 -0.04 -0.12 0.28 -0.07 0.25 0.03 -0.01 0.06 0.20 -0.05 -0.11 -0.18 0.04 0.40 0.04 -0.00 0.06 -0.06 0.02 0.09 -0.09 0.02 0.11 -0.01 -0.23 -0.04 -0.01 0.00 0.01 0.02 -0.00 0.00 0.00 -0.00 0.01 0.03 -0.00 -0.06 -0.01 -0.00 0.16 0.00 0.00 0.02 -0.02 0.00 0.10 -0.13 0.01 0.02 0.07 -0.01 -0.05 -0.00 -0.00 0.04 -0.05 0.01 -0.06 0.11 -0.01 0.05 -0.29 0.08 0.14 -0.10 0.02 -0.19 0.25 -0.05 -0.21 -0.11 0.03 -0.03 0.00 -0.00 0.01 -0.02 0.00 -0.00 0.00 0.01 0.00 0.01 -0.01 -0.01 -0.00 0.00 0.01 -0.01 -0.00 -0.00 -0.00 0.01 -0.00 0.01 -0.01 0.00 -0.04 0.04 0.01 -0.00 -0.01 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.01 -0.02 0.01 -0.02 -0.01 0.00 -0.02 -0.03 0.01 -0.02 0.03 -0.01 0.02 0.02 -0.00 -0.17 -0.07 0.02 0.03 -0.03 0.01 -0.12 0.07 -0.02 -0.02 -0.01 0.04 -0.00 -0.03 0.01 0.09 -0.04 0.01 0.00 0.02 -0.00 -0.03 -0.10 0.01 -0.16 0.08 -0.01 0.40 0.13 -0.00 0.15 -0.02 0.01 -0.06 0.34 -0.03 -0.09 -0.12 0.01 -0.16 0.11 -0.01 0.17 -0.06 0.01 -0.07 0.35 -0.04 -0.03 -0.11 0.03 -0.05 0.07 -0.01 -0.17 0.25 -0.05 0.03 0.02 -0.00 0.44 0.16 -0.01 -0.02 0.12 -0.05 0.02 0.01 -0.08 0.03 -0.11 0.05 -0.01 0.03 -0.01 -0.03 0.04 0.03 0.01 0.03 -0.05 0.02 -0.07 0.02 -0.00 0.23 -0.23 -0.06 0.06 0.08 -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 0.05 -0.05 -0.11 -0.18 0.04 0.23 0.01 -0.00 -0.04 -0.10 0.03 -0.09 0.04 -0.01 0.19 0.19 -0.05 0.11 0.04 -0.01 -0.24 0.31 -0.08 0.11 0.03 -0.27 0.02 0.02 -0.00 -0.02 0.02 -0.00 0.00 0.00 -0.00 -0.01 -0.01 0.00 -0.02 0.01 -0.00 0.03 0.02 -0.00 0.02 -0.01 0.00 -0.02 0.06 -0.00 0.00 -0.02 0.00 -0.01 0.01 -0.00 0.02 -0.01 0.00 -0.01 0.04 -0.00 -0.02 0.57 -0.15 0.01 -0.02 0.00 0.01 -0.01 0.00 -0.06 0.08 -0.02 0.05 0.02 -0.00 -0.03 0.08 -0.03 0.02 0.00 -0.05 0.01 -0.06 0.04 -0.00 0.01 -0.01 -0.02 0.03 0.02 0.02 0.00 -0.04 0.01 -0.05 0.03 -0.02 0.18 -0.17 -0.05 0.04 0.04 0.02 -0.03 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.04 0.09 -0.02 0.20 0.04 -0.01 -0.08 0.14 -0.04 0.08 -0.11 0.03 -0.06 -0.05 0.01 0.47 0.18 -0.04 -0.12 0.11 -0.03 0.50 -0.33 0.09 0.05 0.03 -0.15 -0.01 -0.01 0.00 0.00 0.01 -0.00 0.00 0.00 -0.00 -0.02 -0.03 0.00 -0.03 0.03 -0.00 0.06 0.04 -0.00 0.04 -0.01 0.00 -0.04 0.12 -0.01 -0.01 -0.04 0.00 -0.03 0.02 -0.00 0.03 -0.00 0.00 -0.01 0.06 -0.01 0.11 0.19 -0.05 -0.04 0.03 -0.01 0.08 -0.08 0.02 -0.07 -0.10 0.02 0.10 0.03 -0.00 0.01 -0.10 0.12 -0.02 -0.05 0.11 -0.07 0.20 -0.07 0.03 -0.05 -0.00 0.05 -0.06 -0.03 -0.02 -0.02 0.06 -0.04 0.10 -0.03 0.01 -0.33 0.35 0.11 -0.12 -0.12 -0.04 0.01 0.01 -0.00 0.00 0.01 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.02 -0.09 0.06 0.01 -0.10 0.02 0.10 0.09 -0.02 0.02 -0.10 0.03 -0.10 -0.02 0.00 0.36 0.20 -0.05 0.02 0.08 -0.02 0.10 0.03 -0.01 -0.15 -0.05 0.39 0.01 0.01 -0.00 -0.01 0.02 -0.00 0.00 0.00 0.00 -0.01 -0.01 0.00 -0.01 0.01 -0.00 0.01 0.01 -0.00 0.02 -0.01 0.00 -0.02 0.05 -0.01 -0.00 -0.02 0.00 -0.01 0.01 -0.00 0.01 -0.01 0.00 -0.01 0.03 -0.00 0.05 0.40 -0.10 -0.01 -0.00 0.00 0.04 -0.04 0.01 -0.06 0.01 -0.00 0.03 0.01 -0.00 0.24 -0.35 -0.13 -0.05 0.08 0.02 0.07 -0.02 -0.13 -0.03 0.01 0.04 0.00 -0.08 0.09 -0.11 0.19 0.05 0.06 -0.03 -0.10 0.09 -0.22 0.03 -0.01 -0.08 0.11 0.00 0.02 -0.01 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.35 -0.53 -0.19 0.01 -0.01 0.00 -0.01 0.01 -0.00 0.01 -0.00 0.00 -0.00 -0.01 0.00 0.04 0.01 -0.00 -0.01 0.02 -0.00 0.04 -0.02 0.01 0.21 -0.12 -0.33 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.01 0.00 -0.00 0.00 -0.00 0.00 -0.01 0.01 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.01 0.01 -0.00 0.01 0.01 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.01 -0.00 0.00 -0.01 0.00 -0.00 0.00 -0.01 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.01 -0.01 -0.00 0.01 -0.00 0.00 -0.00 0.01 -0.00 -0.00 -0.02 0.00 -0.00 0.01 -0.00 0.00 0.01 -0.00 0.00 -0.00 0.00 -0.01 0.01 -0.00 0.00 -0.00 -0.01 0.00 -0.00 0.00 -0.03 0.00 0.00 -0.03 0.01 -0.00 0.16 -0.06 0.01 -0.14 -0.06 0.00 0.41 -0.04 0.01 -0.05 0.13 -0.01 0.34 -0.42 0.05 0.15 -0.06 0.01 -0.11 -0.05 0.00 -0.05 0.14 -0.01 0.26 -0.33 0.04 0.00 0.03 -0.01 -0.02 0.02 -0.00 -0.12 0.11 -0.02 -0.00 -0.00 0.00 0.44 -0.03 0.01 -0.00 0.01 -0.00 -0.00 0.00 -0.00 0.00 -0.01 0.00 -0.01 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.01 -0.00 -0.00 0.00 -0.00 -0.00 0.01 -0.00 -0.00 0.01 0.00 -0.00 -0.01 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.01 0.01 0.00 0.02 -0.02 0.01 -0.01 0.04 -0.01 0.02 -0.03 0.01 -0.04 -0.00 0.00 0.07 0.05 -0.01 0.02 0.00 -0.00 0.01 0.02 -0.01 -0.00 0.00 -0.00 0.00 -0.02 0.00 0.13 -0.15 0.03 -0.00 -0.01 0.00 0.05 0.11 -0.01 -0.01 -0.06 0.01 0.00 -0.07 0.01 -0.04 0.05 -0.01 0.10 -0.15 0.01 -0.05 0.04 -0.01 0.08 0.00 0.00 -0.03 -0.06 0.01 -0.07 -0.01 -0.00 0.03 0.07 -0.02 -0.09 0.10 -0.02 -0.58 0.65 -0.12 0.00 -0.00 0.00 -0.24 -0.02 -0.00 -0.06 0.09 0.07 0.04 -0.08 0.00 -0.03 0.09 -0.03 0.01 -0.02 -0.00 0.02 -0.04 0.01 -0.03 0.07 0.00 0.01 -0.06 0.04 0.00 0.05 -0.05 0.01 0.02 -0.02 -0.02 0.02 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.05 -0.06 -0.04 0.11 0.15 -0.04 0.25 -0.01 0.00 -0.19 -0.20 0.05 0.37 0.20 -0.05 -0.55 -0.21 0.05 -0.18 -0.04 0.01 -0.07 -0.15 0.04 0.01 -0.04 0.03 -0.02 -0.02 0.00 0.03 -0.02 0.00 0.00 -0.00 0.00 0.00 0.02 -0.00 0.00 -0.01 0.00 -0.00 -0.01 0.00 -0.01 0.01 -0.00 0.01 -0.01 0.00 -0.02 -0.00 -0.00 0.01 0.01 -0.00 0.00 -0.02 0.00 -0.02 0.01 -0.00 -0.20 0.21 -0.06 0.01 0.03 -0.01 -0.07 0.09 -0.02 -0.24 -0.09 0.02 -0.05 0.00 -0.00 -0.07 0.05 0.10 0.03 -0.09 0.05 -0.01 0.12 -0.13 0.00 -0.02 0.01 -0.04 -0.04 0.13 -0.01 0.08 -0.06 0.01 -0.15 0.14 -0.03 0.21 -0.17 0.01 0.07 -0.12 0.01 -0.02 0.01 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.05 -0.01 -0.11 -0.12 0.23 -0.06 -0.18 0.18 -0.05 0.06 -0.23 0.06 -0.10 0.11 -0.03 -0.03 0.16 -0.04 0.24 -0.22 0.06 -0.37 0.22 -0.06 0.11 -0.06 -0.16 -0.03 -0.03 0.01 0.00 -0.02 0.00 0.00 0.00 -0.00 -0.06 -0.06 0.00 0.08 0.03 -0.00 -0.10 0.02 -0.00 -0.03 -0.02 0.00 -0.04 -0.01 -0.00 0.04 0.05 -0.00 -0.06 -0.02 0.00 0.03 0.02 -0.00 0.03 0.03 -0.00 0.09 0.30 -0.08 0.06 0.03 -0.00 0.00 -0.02 0.00 0.09 -0.07 0.02 0.07 -0.01 0.00 0.08 -0.05 -0.12 -0.02 0.09 -0.07 0.00 -0.13 0.16 0.00 0.02 -0.02 0.06 0.04 -0.18 -0.00 -0.07 0.09 -0.00 0.17 -0.19 0.05 -0.27 0.19 -0.03 -0.10 0.18 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.03 -0.04 0.12 -0.01 0.08 -0.02 -0.01 0.09 -0.03 -0.01 -0.12 0.03 0.02 0.06 -0.02 -0.07 0.03 -0.01 0.04 -0.06 0.02 -0.11 0.04 -0.01 -0.13 0.06 0.22 -0.01 -0.01 0.00 0.03 -0.07 0.01 0.01 0.01 -0.00 -0.13 -0.19 0.01 0.16 0.08 -0.00 -0.20 0.07 -0.01 -0.05 -0.10 0.01 -0.13 0.00 -0.00 0.12 0.19 -0.02 -0.14 -0.08 0.00 0.04 0.11 -0.01 0.13 -0.00 0.00 0.01 0.16 -0.04 -0.00 0.04 -0.01 -0.29 0.28 -0.06 -0.02 -0.04 0.01 0.17 -0.07 0.01 -0.04 0.02 0.08 0.00 -0.05 0.05 0.01 0.08 -0.11 -0.00 -0.01 0.02 -0.05 -0.02 0.13 0.01 0.03 -0.07 -0.00 -0.11 0.13 -0.04 0.19 -0.11 0.03 0.07 -0.14 -0.01 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.01 0.05 -0.07 0.05 -0.14 0.04 0.07 -0.11 0.03 -0.01 0.14 -0.04 0.01 -0.07 0.02 0.06 -0.06 0.02 -0.09 0.11 -0.03 0.18 -0.08 0.02 0.09 -0.04 -0.16 0.02 0.01 -0.00 0.04 -0.08 0.01 0.00 0.01 -0.00 -0.10 -0.21 0.02 0.12 0.09 -0.01 -0.14 0.09 -0.01 -0.01 -0.13 0.01 -0.15 0.05 -0.01 0.10 0.21 -0.02 -0.11 -0.09 0.01 0.01 0.15 -0.01 0.16 -0.06 0.01 -0.03 -0.16 0.04 -0.07 0.02 -0.01 -0.39 0.39 -0.08 -0.02 0.05 -0.01 0.14 -0.10 0.01 0.03 -0.05 -0.01 -0.02 0.03 0.02 0.02 -0.01 -0.02 0.00 0.00 0.01 -0.02 0.01 0.04 0.02 -0.02 -0.02 -0.01 0.00 0.02 -0.01 0.02 0.01 0.02 -0.01 -0.03 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.02 0.04 -0.00 0.02 -0.03 0.01 0.02 -0.02 0.01 -0.00 0.03 -0.01 0.01 -0.01 0.00 0.01 -0.02 0.00 -0.03 0.03 -0.01 0.04 -0.02 0.01 0.02 0.01 -0.06 0.01 0.01 -0.00 -0.02 0.01 -0.00 0.01 -0.01 0.00 -0.15 0.13 -0.02 0.27 -0.07 0.01 -0.30 -0.12 0.00 -0.23 0.22 -0.03 0.18 -0.38 0.04 0.17 -0.13 0.02 -0.26 0.08 -0.01 0.20 -0.23 0.03 -0.15 0.32 -0.04 -0.01 -0.04 0.01 -0.03 -0.01 0.00 -0.00 -0.00 -0.00 -0.01 0.01 -0.00 0.34 0.12 -0.01 0.26 -0.41 -0.11 -0.18 0.27 0.11 0.13 -0.18 -0.09 -0.02 0.03 0.02 -0.14 0.10 0.21 0.16 -0.22 -0.12 -0.08 0.12 0.03 -0.06 -0.01 0.16 0.13 -0.14 -0.15 -0.02 0.00 0.01 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.16 0.29 0.04 0.00 0.05 -0.01 0.04 0.04 -0.01 -0.02 -0.07 0.02 0.05 0.04 -0.01 -0.08 -0.01 0.00 -0.00 -0.03 0.01 -0.05 -0.00 0.00 0.11 0.08 -0.35 -0.01 -0.01 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.02 -0.01 0.00 -0.04 0.00 -0.00 0.04 0.01 0.00 0.03 -0.02 0.00 -0.01 0.04 -0.00 -0.03 0.00 -0.00 0.04 -0.00 0.00 -0.02 0.02 -0.00 0.01 -0.03 0.00 -0.02 0.09 -0.02 0.02 0.00 -0.00 0.03 -0.03 0.01 -0.04 -0.02 0.01 -0.05 -0.01 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.03 -0.10 0.02 0.03 -0.03 0.01 0.00 0.04 -0.01 -0.01 -0.03 0.01 0.07 0.00 -0.00 -0.01 0.06 -0.01 0.11 -0.01 0.00 -0.00 -0.00 -0.00 -0.27 -0.32 0.07 -0.07 -0.07 0.01 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.02 -0.00 0.00 -0.03 -0.01 -0.00 -0.03 0.01 -0.00 0.00 -0.04 0.01 0.05 0.01 -0.00 -0.00 0.00 0.00 -0.00 -0.01 0.00 -0.02 0.01 -0.00 -0.00 -0.04 0.01 0.43 0.58 -0.12 0.24 -0.38 0.08 -0.02 0.02 -0.01 -0.14 -0.02 -0.01 -0.00 -0.01 0.01 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.01 -0.03 0.01 0.01 0.03 -0.06 -0.02 0.01 0.02 0.20 -0.19 -0.25 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.15 -0.33 0.73 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.01 -0.00 0.05 -0.09 0.02 -0.00 -0.00 0.00 0.01 0.01 -0.00 -0.15 0.37 -0.09 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.04 0.00 -0.01 -0.01 0.00 0.10 0.07 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.01 0.00 -0.00 -0.03 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 0.01 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 0.00 0.00 -0.00 -0.00 -0.00 0.02 0.04 -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 0.02 -0.05 0.01 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.03 -0.00 0.02 -0.33 0.03 -0.07 -0.05 0.00 0.77 0.52 -0.01 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.05 0.03 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.02 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 0.02 -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 -0.02 -0.04 0.08 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.02 0.00 -0.00 0.04 -0.07 0.02 -0.40 0.82 -0.22 0.01 0.01 -0.00 -0.10 -0.13 0.03 -0.02 0.04 -0.01 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.01 0.01 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.26 -0.01 0.01 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.02 -0.00 0.00 0.00 -0.00 -0.04 -0.03 0.00 0.00 -0.00 0.00 0.00 0.01 -0.00 -0.07 -0.05 0.00 0.83 0.53 -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 -0.13 0.01 0.00 0.00 -0.01 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.02 -0.06 0.01 -0.00 0.00 0.01 0.03 -0.03 -0.04 -0.37 0.35 0.46 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.01 0.02 -0.05 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.26 0.66 -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 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -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 0.01 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.01 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.01 -0.08 0.01 -0.07 0.93 -0.09 -0.03 -0.01 0.00 0.28 0.18 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.01 -0.00 0.00 0.01 -0.02 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.02 -0.04 0.01 -0.01 -0.02 0.05 -0.03 0.03 0.04 0.34 -0.32 -0.41 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.10 0.22 -0.49 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.20 0.50 -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 0.00 -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 -0.01 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.08 0.00 -0.00 -0.01 0.02 -0.01 0.09 -0.20 0.05 -0.01 -0.01 0.00 0.10 0.13 -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 0.95 -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 -0.17 -0.41 0.89 0.01 0.04 -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 0.01 -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 -0.02 -0.02 0.01 -0.00 0.01 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.01 -0.01 0.03 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.01 0.00 -0.00 0.01 -0.02 0.00 -0.09 0.17 -0.04 -0.05 -0.07 0.02 0.58 0.75 -0.19 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.11 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 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 -0.09 0.01 -0.01 -0.00 0.00 0.11 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 -0.05 0.98 -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 0.00 -0.00 0.00 0.00 -0.00 -0.06 -0.05 0.01 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.75 0.65 -0.14 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 1 6 6 6 6 6 6 1 6 8 9 9 9 1 6 6 6 6 1 6 1 1 8 7 9 6 6 1 6 1 6 6 6 1 1 6 1 7 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 1 6 6 6 6 6 6 1 6 8 9 9 9 1 6 6 6 6 1 6 1 1 8 7 9 6 6 1 6 1 6 6 6 1 1 6 1 7 1 1.00783 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 1.00783 12.00000 15.99491 18.99840 18.99840 18.99840 1.00783 12.00000 12.00000 12.00000 12.00000 1.00783 12.00000 1.00783 1.00783 15.99491 14.00307 18.99840 12.00000 12.00000 1.00783 12.00000 1.00783 12.00000 12.00000 12.00000 1.00783 1.00783 12.00000 1.00783 14.00307 1.00783 376.08349 0.99993 -0.01051 -0.00588 0.01041 0.99978 -0.01815 0.00607 0.01809 0.99982 asymmetric 1 0.00938 0.00719 0.00454 0.19546 0.14981 0.09451 726853.7 5.40 27.46 30.32 40.77 59.62 77.05 98.82 105.26 188.83 204.53 218.51 253.26 288.53 313.76 331.32 398.55 429.02 471.86 491.13 503.96 534.64 547.49 592.29 613.07 624.08 644.50 656.60 688.94 736.82 753.95 771.05 821.93 824.46 855.96 880.83 930.04 953.70 979.12 999.04 1002.16 1020.48 1032.04 1057.08 1081.40 1112.94 1120.64 1171.69 1181.10 1201.55 1221.27 1230.96 1260.63 1314.52 1323.41 1334.69 1341.73 1359.97 1409.07 1426.34 1436.80 1457.15 1459.56 1465.55 1478.83 1555.13 1573.50 1573.77 1598.08 1629.41 1664.27 1665.67 1695.72 1703.09 1718.45 1746.68 1779.49 1803.63 1830.35 1847.61 1885.96 1902.34 1906.59 1929.04 1946.31 1950.66 2068.41 2093.05 2114.39 2126.20 2187.96 2214.74 2260.23 2322.53 2341.41 2358.22 2363.52 2373.17 2374.34 2497.08 4577.02 4577.32 4577.40 4599.29 4599.52 4608.54 4609.72 4619.08 4632.39 4633.47 4662.26 5095.75 0.276844 0.298798 0.299743 0.220134 -1390.751194 -1390.729240 -1390.728296 -1390.807904 187.499 84.462 167.550 0.000 0.000 0.000 0.889 2.981 43.667 0.889 2.981 36.006 185.721 78.500 87.878 1 0.593 1.987 9.957 2 0.593 1.986 6.727 3 0.593 1.985 6.530 4 0.593 1.984 5.943 5 0.594 1.981 5.189 6 0.596 1.976 4.682 7 0.598 1.969 4.191 8 0.599 1.967 4.067 9 0.612 1.922 2.928 10 0.616 1.911 2.775 11 0.619 1.901 2.649 12 0.628 1.872 2.370 13 0.638 1.839 2.128 14 0.646 1.814 1.975 15 0.652 1.795 1.877 16 0.678 1.716 1.552 17 0.691 1.677 1.427 18 0.711 1.620 1.270 19 0.721 1.593 1.206 20 0.727 1.575 1.165 21 0.743 1.531 1.073 22 0.750 1.512 1.037 23 0.776 1.445 0.921 24 0.788 1.413 0.871 25 0.795 1.397 0.846 26 0.807 1.365 0.802 27 0.815 1.347 0.777 28 0.835 1.297 0.713 29 0.867 1.223 0.629 30 0.879 1.197 0.601 31 0.891 1.171 0.574 32 0.927 1.093 0.502 33 0.929 1.090 0.498 34 0.953 1.043 0.458 35 0.971 1.006 0.429 0.121544e+27 26.084733 60.062318 0.256998e+11 10.409930 23.969749 0.100000e+01 0.000000 0.000000 0.286669e+09 8.457380 19.473838 0.164977e+08 7.217423 16.618731 Optimization CONF2 gas ./ancestor::cml:module[@dictRef='cc:finalization']/cml:molecule[@id='mol9999'] -5.8403 0.7278 1.9492 6.1999 -158.9142 -150.5796 -151.4642 -7.8948 -4.1472 -9.0915 -5.2616 3.0731 2.1885 -7.8948 -4.1472 -9.0915 -90.4522 -22.3039 -6.7284 -53.3945 42.6738 -4.3051 -18.3675 -30.4433 10.6726 24.4847 -8058.5749 -5345.2083 -827.9199 137.8016 -58.5423 -327.9026 -84.8148 -40.4935 44.6087 -2032.3658 -1372.4340 -1051.4297 -6.7692 25.3113 28.3758 (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A) (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(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 -1391.0280382 3.173E-9 3.223E-6 0.276844 0.2987985 -1390.7292398 -1390.7282956 -1390.8079042 -2.1271514,1.3880617,0.7390897,-6.1793184,2.5720303,7.2755816 C01 [X(C19H12F4N2O2)] 2.3333581 0.0636121 0.7079219 0.1096202 0.0083715 -0.0205453 0.0235453 0.0974456 -0.0534956 -0.0228168 -0.0813704 0.0580873 -0.0702749 0.2061385 0.0905729 -0.0444276 -0.2071838 -0.0869558 -0.0679948 0.1129009 -0.0394098 -0.1406898 -0.0266731 -0.0351715 0.0060967 -0.0629293 0.1378739 -0.064647 0.177923 -0.1497755 1.795775 -0.007394 0.1918329 -0.0104977 1.7958569 -0.2325612 0.0988092 -0.403151 1.7405404 -0.0608761 -0.0484547 -0.0340871 -0.0418042 -0.0510551 0.0344712 0.0238679 -0.0678733 -0.091924 -0.0799716 -0.02635 0.0714705 -0.0342459 -0.0332017 0.0576345 0.0400672 0.1222731 0.0893975 -0.003978 -0.0322021 0.0317035 -0.0535787 -0.2030068 -0.0219844 0.0811328 -0.0986708 -0.0282505 0.0729927 0.0650984 -0.0561502 0.0676354 0.0911728 0.0290553 -0.0508204 0.0270161 0.0518574 0.1430818 -0.7026296 -0.1345144 -0.1604579 1.3369871 0.2520203 -0.0019539 0.2432091 0.1530663 -0.5027354 -0.0299234 0.0026653 -0.2778704 -2.2205571 -0.3495428 -0.0478262 -0.5238802 -0.3146476 -0.3441531 0.0367795 -0.0715713 0.0328508 -0.3712412 -0.1488854 -0.0247996 -0.063455 -0.8951559 -0.3664237 0.0229439 -0.082812 -0.0338228 -1.0698555 0.2250824 -0.0481562 0.2264853 -0.3689749 -1.0476816 -0.0890105 0.0204165 -0.047025 -0.3907956 0.100714 0.0821292 0.1520956 -0.3943258 0.1044738 0.0236907 -0.0366548 0.0072985 0.0456312 -0.0669603 -0.0441488 -0.0755958 -0.0197516 0.2503046 0.0889037 0.016562 -0.2702089 0.3215488 0.0804233 -0.0587963 0.0599232 0.0718734 0.3950712 0.651658 0.0843253 0.6694784 1.9796234 0.2721019 0.1121442 0.4160958 0.242807 -0.0383525 0.1280551 0.0168619 -0.3164847 -0.5667918 -0.0546711 -0.0617476 -0.0943058 -0.1403832 0.416313 0.0296724 -0.0317839 0.0759019 0.276133 0.0620642 -0.0158947 0.0674718 -0.0703111 0.0257087 0.066794 0.0192015 0.0749617 -0.0188941 -0.0330076 0.0215907 -0.0319936 0.1191022 -0.4977157 0.0350042 0.0327411 0.2313887 -0.1455187 -0.0231268 0.0712369 -0.0146704 -0.1108833 0.1190705 -0.0434066 -0.0060493 -0.0410675 0.0510773 -0.0158722 -0.0099273 -0.0188511 0.1368231 0.0887876 0.0735841 -0.0063338 0.0620661 0.0268101 -0.0235985 -0.0076189 -0.0247368 0.0939439 -0.7507558 -0.4509516 -0.04303 0.2381149 -1.1777733 -0.1281953 0.0575112 -0.1009724 -0.3641644 -1.3851854 0.4889057 0.1206136 0.7703145 -0.9175628 -0.1322585 0.1775247 -0.1202918 -0.2416198 -1.5529395 0.4426124 0.1091572 0.4587123 -0.3445313 -0.0374641 0.107863 -0.0368153 -0.1478632 1.5130441 -0.4395443 -0.1081394 -0.4537844 0.2996329 0.0366685 -0.1086591 0.0389429 0.0748633 -0.2036321 0.1481946 0.0162549 -0.1799932 0.0599383 0.0159504 0.0095824 -0.0107382 -0.1168724 0.0778854 0.0200043 0.005275 0.0458511 -0.026479 -0.0097707 0.0016527 -0.0083453 0.1487776 -0.0519382 -0.0489672 -0.0100962 0.1636992 0.0264385 -0.0019014 0.0020623 0.0079401 -0.139058 -0.0149847 -0.0392494 0.0033725 -0.0307228 0.06455 -0.0108695 -0.0161373 -0.0179615 0.1238106 1.0508772 -0.383632 -0.0829707 -0.3221189 0.0628655 0.0111584 -0.0719096 0.0163365 0.0684492 -0.1077207 0.0970541 -0.0008094 -0.0620063 -0.0357108 0.0055625 -0.0058152 0.0095271 -0.13335 -0.0786773 -0.0030708 -0.000942 0.288666 -0.0394604 -0.0160195 0.0032733 0.0081595 -0.1197916 -0.011326 -0.0436812 0.0091998 -0.067814 0.0406214 -0.0001128 0.0081805 -0.0038748 0.1514606 -0.021567 -0.0173148 0.0085744 -0.0167868 0.0979617 -0.0097963 0.0030577 -0.0080062 0.1405509 1.3531718 0.1311822 -0.0499956 -0.830797 1.7266446 0.258126 -0.1716594 0.2106881 0.2643016 0.389182 0.0733358 0.0057085 0.0384298 0.1593233 -0.0030812 -0.0220025 -0.0220503 0.2000254 -0.7256015 -0.4113769 -0.0431734 0.0547495 -0.7317913 -0.1201047 0.0300497 -0.0632281 -0.1850693 0.1518209 0.0058493 -0.0016795 -0.014246 0.0540773 0.0013291 -0.0084041 -0.0061502 0.1418443 302.9753048|-32.1714291|282.7487061|2.6814714|22.6522016|160.1410599 0.000000455 -0.000000707 -0.000000979 -0.000002722 0.000002097 -0.000003233 0.000001841 0.000004394 0.000016303 -0.000001518 0.000007479 -0.000009519 -0.000001431 -0.000000182 -0.000004690 0.000001991 -0.000003438 0.000000863 0.000001301 0.000003105 0.000003226 -0.000000360 0.000000334 0.000001521 0.000001883 -0.000004499 -0.000000310 -0.000000085 0.000000887 -0.000001532 0.000001485 -0.000001003 0.000000380 -0.000001269 -0.000005066 -0.000000414 0.000000088 -0.000002735 0.000002586 0.000000993 0.000000374 0.000000155 0.000000856 -0.000001761 0.000000855 -0.000013895 0.000005292 -0.000005003 0.000005043 -0.000005062 0.000002008 0.000002128 0.000004559 -0.000000773 -0.000000032 -0.000000694 -0.000000109 -0.000005391 0.000000982 -0.000001505 0.000001404 -0.000001947 -0.000000864 -0.000001520 -0.000000564 0.000002882 0.000001637 -0.000008243 -0.000002092 0.000003718 0.000005861 -0.000001835 -0.000001739 0.000000372 0.000000238 0.000000904 0.000000320 -0.000000139 -0.000001117 0.000001130 0.000000534 0.000001260 0.000000419 -0.000000044 0.000001674 -0.000000945 -0.000002178 0.000000282 0.000001154 -0.000000044 -0.000001179 0.000002065 -0.000000631 -0.000001835 -0.000001161 0.000002658 -0.000001732 -0.000002476 -0.000000301 0.000000049 -0.000000545 -0.000000391 0.000000478 -0.000001834 -0.000000463 0.000000581 0.000003808 0.000000743 0.000001747 0.000000197 0.000001369 0.000004854 -0.000002502 0.000002115 -0.000000827 0.000000532 -0.000001387 364.20911279999984 AuxInfo=1/0/N:2;3;4;5;6;7;9;15;16;17;18;20;26;27;29;31;32;33;36;11;12;13;25;24;38;10;23;1;8;14;19;21;22;28;30;34;35;37;39/rA:39nH0C0C0C0C0C0C0H0C0O0F0F0F0H0C0C0C0C0H0C0H0H0O0N0F0C0C0H0C0H0C0C0C0H0H0C0H0N0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:1.9553,.8806,-1.4001;2.0985,1.3954,-.4606;1.4391,2.5895,-.1886;.4682,3.1599,-1.1862;1.6313,3.2585,1.0231;2.495,2.7193,1.9692;3.155,1.5167,1.716;3.8282,1.0772,2.4414;2.949,.8669,.5068;3.6814,-.2876,.2641;.5842,2.5985,-2.407;.6206,4.4945,-1.3374;-.8205,2.9652,-.7869;2.6561,3.2328,2.9094;1.1079,-2.7021,-.066;3.0319,-1.4736,.0508;3.8355,-2.5872,-.2278;3.1957,-3.8004,-.4215;3.7767,-4.6895,-.6374;1.8012,-3.8717,-.3397;1.2531,-4.7924,-.4842;1.1161,4.1914,1.2142;-1.029,-3.7653,-.1116;-.9378,-1.4852,.2184;-6.1829,.2335,.6137;-4.9017,-.2052,.5146;-3.8745,.725,.4829;-4.0996,1.7828,.5306;-2.5662,.2687,.3804;-1.7562,.988,.3396;-2.2899,-1.1047,.3124;-3.3469,-2.0248,.3439;-4.6586,-1.5663,.4454;-5.4894,-2.2602,.4707;4.9103,-2.4768,-.2807;-.4029,-2.7227,.0121;-.2443,-.7497,.2972;1.7191,-1.5195,.1289;-3.1392,-3.0818,.2842; Gaussian 16 8-Feb-2023 Gaussian 16 3-Jul-2019 EM64L-G16RevC.01 111 C1[X(C19H12F4N2O2)] 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 0 364.20911279999984 AuxInfo=1/0/N:2;3;4;5;6;7;9;15;16;17;18;20;26;27;29;31;32;33;36;11;12;13;25;24;38;10;23;1;8;14;19;21;22;28;30;34;35;37;39/rA:39nH0C0C0C0C0C0C0H0C0O0F0F0F0H0C0C0C0C0H0C0H0H0O0N0F0C0C0H0C0H0C0C0C0H0H0C0H0N0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:1.9553,.8806,-1.4001;2.0985,1.3954,-.4606;1.4391,2.5895,-.1886;.4682,3.1599,-1.1862;1.6313,3.2585,1.0231;2.495,2.7193,1.9692;3.1549,1.5167,1.716;3.8282,1.0772,2.4414;2.949,.8669,.5068;3.6814,-.2876,.2641;.5842,2.5985,-2.407;.6206,4.4945,-1.3374;-.8205,2.9652,-.7869;2.6561,3.2328,2.9094;1.1079,-2.7021,-.066;3.0319,-1.4736,.0508;3.8355,-2.5872,-.2278;3.1957,-3.8004,-.4215;3.7767,-4.6895,-.6374;1.8012,-3.8717,-.3397;1.2531,-4.7924,-.4842;1.1161,4.1914,1.2142;-1.029,-3.7653,-.1116;-.9378,-1.4852,.2184;-6.1829,.2335,.6137;-4.9017,-.2052,.5146;-3.8745,.725,.4829;-4.0996,1.7828,.5306;-2.5662,.2687,.3804;-1.7562,.988,.3396;-2.2899,-1.1047,.3124;-3.3469,-2.0248,.3439;-4.6586,-1.5663,.4454;-5.4894,-2.2602,.4707;4.9103,-2.4768,-.2807;-.4029,-2.7227,.0121;-.2443,-.7497,.2972;1.7191,-1.5195,.1289;-3.1392,-3.0818,.2842; oldchk=/home/mleiferm/archivo/herbicides/group12/picolinafen/gaussian/gas/CONF2 #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 CONF2 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 1 12 12 12 12 12 12 1 12 16 19 19 19 1 12 12 12 12 1 12 1 1 16 14 19 12 12 1 12 1 12 12 12 1 1 12 1 14 1 1.0078250 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 1.0078250 12.0000000 15.9949146 18.9984033 18.9984033 18.9984033 1.0078250 12.0000000 12.0000000 12.0000000 12.0000000 1.0078250 12.0000000 1.0078250 1.0078250 15.9949146 14.0030740 18.9984033 12.0000000 12.0000000 1.0078250 12.0000000 1.0078250 12.0000000 12.0000000 12.0000000 1.0078250 1.0078250 12.0000000 1.0078250 14.0030740 1.0078250 1 0 0 0 0 0 0 1 0 0 1 1 1 1 0 0 0 0 1 0 1 1 0 2 1 0 0 1 0 1 0 0 0 1 1 0 1 2 1 1.0000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 1.0000000 3.6000000 5.6000000 6.7500000 6.7500000 6.7500000 1.0000000 3.6000000 3.6000000 3.6000000 3.6000000 1.0000000 3.6000000 1.0000000 1.0000000 5.6000000 4.5500000 6.7500000 3.6000000 3.6000000 1.0000000 3.6000000 1.0000000 3.6000000 3.6000000 3.6000000 1.0000000 1.0000000 3.6000000 1.0000000 4.5500000 1.0000000 (Enter /usr/local/gaussian/gaussian16/g16/l101.exe) 6-311+G(d,p) (5D, 7F) 0.10000e-02 0.10000e-05 F 693 A 666 A 666 1068 693 96 96 2398.2185484315 39 39 39 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 -0.0385030979 0.000000 1.080790 0.000000 2.157409 1.390944 0.000000 2.729883 2.509590 1.504457 0.000000 3.410464 2.427149 1.397394 2.498743 0.000000 3.876123 2.795369 2.405785 3.776098 1.389912 0.000000 3.399042 2.422436 2.778899 4.282709 2.415714 1.395017 0.000000 4.278204 3.393274 3.861490 5.365301 3.405273 2.167216 1.082844 0.000000 2.150277 1.392248 2.393835 3.778665 2.778983 2.403396 1.388077 2.135381 0.000000 2.667169 2.421408 3.675674 4.930884 4.165852 3.654697 2.374988 2.573871 1.388634 0.000000 2.417566 2.743882 2.377439 1.348668 3.646569 4.776684 4.977704 6.028579 4.132823 5.005668 0.000000 3.852915 3.543616 2.370353 1.351758 2.849717 4.194998 4.961153 6.020375 4.688406 5.899274 2.177167 0.000000 3.525096 3.330368 2.367485 1.363018 3.061613 4.318473 4.915958 5.966256 4.503920 5.652651 2.175355 2.172178 0.000000 4.959344 3.878610 3.389986 4.643924 2.146811 1.083260 2.148987 2.497869 3.384615 4.521292 5.740937 4.875438 5.081379 0.000000 3.915872 4.233981 5.303399 6.002234 6.081920 5.954722 5.016393 5.288709 4.056607 3.544291 5.818112 7.324234 6.029649 6.817098 0.000000 2.967612 3.060056 4.370726 5.438032 5.029962 4.642159 3.424888 3.585489 2.386013 1.368966 5.349178 6.584781 5.936799 5.519330 2.285736 0.000000 4.115260 4.351124 5.704601 6.729524 6.371504 5.897732 4.591636 4.533474 3.640948 2.356637 6.496991 7.855987 7.267747 6.716035 2.734902 1.401259 0.000000 4.940463 5.310490 6.631024 7.514605 7.373112 6.979506 5.730760 5.690973 4.765132 3.611867 7.190768 8.733509 7.876307 7.800735 2.385699 2.379851 1.385218 0.000000 5.909772 6.314511 7.658281 8.535799 8.398280 7.957881 6.666423 6.537295 5.733057 4.494239 8.150921 9.736295 8.930310 8.752006 3.376202 3.371948 2.142634 1.083819 0.000000 4.871627 5.276837 6.473091 7.206675 7.261293 7.018141 5.923923 6.027828 4.948593 4.092118 6.900539 8.507723 7.335945 7.858800 1.386899 2.723546 2.408554 1.398712 2.158713 0.000000 5.789219 6.245276 7.390124 8.021650 8.199511 7.999195 6.947040 7.045675 5.990467 5.171980 7.666098 9.347352 8.035615 8.825361 2.136592 3.803172 3.405532 2.182109 2.530348 1.081162 0.000000 4.301178 3.404130 2.153669 2.691781 1.082734 2.153780 3.400500 4.308148 3.861681 5.248412 3.991614 2.616810 3.042710 2.482830 7.011433 6.092373 7.444791 8.418422 9.454008 8.240029 9.143950 0.000000 5.670185 6.044471 6.817692 7.166164 7.595975 7.668026 6.981694 7.318406 6.137117 5.867127 6.954768 8.511592 6.767503 8.466297 2.387154 4.665669 5.006512 4.236165 4.921908 2.841342 2.530128 8.346748 0.000000 4.072718 4.240079 4.734864 5.052372 5.454471 5.703332 5.291936 5.849965 4.552268 4.772170 5.087810 6.372268 4.564077 6.512793 2.397188 3.973225 4.919190 4.780716 5.764219 3.675431 4.028743 6.118362 2.305618 0.000000 8.408621 8.431279 8.018125 7.485988 8.389338 9.128182 9.489850 10.211473 9.154498 9.884275 7.778935 8.261415 6.179000 9.612141 7.888921 9.388462 10.441931 10.261660 11.180089 9.028125 9.042026 8.324722 6.563456 5.533649 0.000000 7.201682 7.246828 6.965023 6.561411 7.411936 8.085833 8.325738 9.031494 7.923610 8.587193 6.818514 7.484206 5.329387 8.641431 6.533510 8.047720 9.086527 8.908958 9.836190 7.687770 7.740869 7.485551 5.297570 4.175974 1.357834 0.000000 6.128336 6.084128 5.671152 5.250988 6.084789 6.837938 7.180551 7.955555 6.825029 7.626613 5.633941 6.142334 3.994749 7.404375 6.072103 7.260759 8.421440 8.443022 9.439941 7.349806 7.593987 6.120168 5.349117 3.685000 2.363793 1.386191 0.000000 6.419031 6.288873 5.643248 5.070367 5.938385 6.814424 7.355601 8.185288 7.107941 8.056204 5.588693 5.755329 3.726551 7.307554 6.898415 7.854470 9.090595 9.235787 10.261126 8.218873 8.538941 5.785535 6.373539 4.557884 2.597540 2.143737 1.082487 0.000000 4.897861 4.872038 4.664013 4.474444 5.193439 5.843493 6.006086 6.766808 5.549037 6.273450 4.808617 5.564541 3.417843 6.515653 4.745935 5.872223 7.036246 7.099298 8.114922 6.060982 6.399120 5.444485 4.344881 2.398785 3.624370 2.386860 1.389353 2.160168 0.000000 4.100437 3.957960 3.613051 3.463057 4.134973 4.870975 5.127729 5.967500 4.709774 5.585792 3.951562 4.555963 2.460477 5.577722 4.688785 5.391575 6.661244 6.930342 7.987606 6.060811 6.568665 4.390536 4.829734 2.607957 4.498887 3.368761 2.139334 2.481863 1.084075 0.000000 4.989641 5.109469 5.272972 5.295226 5.909253 6.345406 6.203893 6.835529 5.601052 6.027203 5.419359 6.522565 4.464535 7.072523 3.773603 5.340995 6.325456 6.156097 7.110341 4.981853 5.175563 6.361055 2.974643 1.407805 4.127547 2.769714 2.426457 3.414668 1.402537 2.159874 0.000000 6.292510 6.480485 6.669385 6.616315 7.290878 7.699080 7.529788 8.093373 6.930103 7.240208 6.662939 7.814585 5.706236 8.382021 4.524516 6.409179 7.227034 6.822265 7.668663 5.511860 5.431808 7.701696 2.934159 2.471906 3.635339 2.399488 2.803395 3.885712 2.422928 3.406899 1.401627 0.000000 7.289555 7.433144 7.406460 7.161202 7.948369 8.477246 8.495350 9.110312 7.987527 8.439443 7.277987 8.232986 6.065064 9.088835 5.899472 7.701152 8.581737 8.211724 9.059845 6.903619 6.798484 8.190838 4.280154 3.728605 2.364558 1.384399 2.422099 3.396492 2.783809 3.867789 2.416896 1.393265 0.000000 8.293918 8.473950 8.482900 8.222858 9.025905 9.528537 9.515282 10.091553 8.999311 9.382867 8.293208 9.285892 7.119414 10.122682 6.633812 8.567806 9.356813 8.865612 9.643130 7.510422 7.265312 9.263315 4.743383 4.624009 2.592279 2.137850 3.394084 4.275603 3.866337 4.950255 3.405429 2.159201 1.082755 0.000000 4.610576 4.788751 6.142049 7.233572 6.733916 6.155919 4.797448 4.605581 3.955652 2.568924 6.999597 8.253252 7.919173 6.917885 3.815166 2.155165 1.081708 2.170659 2.511656 3.408218 4.333434 7.816411 6.079812 5.952546 11.454477 10.102897 9.381227 9.999056 7.992078 7.538731 7.353783 8.293074 9.639525 10.429090 0.000000 4.532041 4.841390 5.626071 6.066200 6.398067 6.468696 5.790826 6.184072 4.936142 4.761821 5.927968 7.413203 5.758873 7.295129 1.512956 3.655053 4.247436 3.781473 4.664707 2.510409 2.696718 7.180337 1.222404 1.363792 6.519876 5.179686 4.915269 5.850921 3.709938 3.963316 2.503764 3.043641 4.431209 5.128009 5.326988 0.000000 3.221368 3.265656 3.770982 4.241805 4.484516 4.725849 4.324812 4.951747 3.585329 3.952947 4.382866 5.560699 3.912545 5.576318 2.402531 3.364217 4.505228 4.653667 5.706453 3.786341 4.381289 5.206368 3.142697 1.013984 6.027779 4.694193 3.922720 4.618616 2.536824 2.303803 2.076290 3.354675 4.491675 5.461063 5.466867 1.999759 0.000000 2.855579 2.998024 4.130780 5.019064 4.861833 4.685834 3.714707 4.066807 2.711220 2.320905 4.967529 6.286858 5.234590 5.585116 1.345401 1.315882 2.397181 2.772277 3.856089 2.399778 3.362195 5.844385 3.557129 2.658639 8.108632 6.761030 6.037522 6.702556 4.650275 4.290711 4.034631 5.095618 6.385736 7.254533 3.356767 2.442174 2.115622 0.000000 6.670278 6.930685 7.304053 7.357595 7.968972 8.260609 7.925444 8.396160 7.260097 7.370844 7.305663 8.611996 6.564362 8.963859 4.278394 6.381471 7.011026 6.414474 7.159881 5.041909 4.775847 8.477780 2.253194 2.720253 4.512626 3.381478 3.882292 4.964607 3.400519 4.298779 2.152015 1.078917 2.152026 2.496637 8.091994 2.773152 3.717485 5.105714 0.000000 C19H12F4N2O2 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 0 364.20911279999984 AuxInfo=1/0/N:2;3;4;5;6;7;9;15;16;17;18;20;26;27;29;31;32;33;36;11;12;13;25;24;38;10;23;1;8;14;19;21;22;28;30;34;35;37;39/rA:39nH0C0C0C0C0C0C0H0C0O0F0F0F0H0C0C0C0C0H0C0H0H0O0N0F0C0C0H0C0H0C0C0C0H0H0C0H0N0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:-2.0456,-.6867,-1.3212;-2.2266,-1.13,-.3522;-1.7238,-2.3869,-.0327;-.8691,-3.1318,-1.0216;-1.9653,-2.9627,1.2174;-2.7195,-2.2657,2.154;-3.2211,-.9993,1.8528;-3.8068,-.4376,2.5697;-2.9684,-.4443,.6058;-3.5479,.7847,.3195;-.9476,-2.6215,-2.2675;-1.2025,-4.4396,-1.0973;.4458,-3.0927,-.6648;-2.918,-2.7052,3.124;-.6874,2.8115,-.2022;-2.7532,1.8604,.0271;-3.4098,3.0567,-.2912;-2.6205,4.1616,-.5652;-3.0845,5.1089,-.8142;-1.2271,4.0486,-.5213;-.5661,4.8787,-.7282;-1.5731,-3.9458,1.4457;1.5695,3.5738,-.3567;1.186,1.3461,.0972;6.1654,-1.0409,.4563;4.9515,-.4393,.3651;3.8091,-1.2233,.4083;3.8928,-2.298,.5072;2.5707,-.6007,.3134;1.6713,-1.2057,.3309;2.4777,.7922,.1786;3.6481,1.5621,.1349;4.8897,.937,.2289;5.8059,1.5132,.1968;-4.4909,3.0894,-.3119;.8144,2.6324,-.1621;.4035,.7154,.2322;-1.4442,1.7331,.0706;3.5813,2.6332,.0237; 0.1954568 0.1498107 0.0945140 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= 666 RedAO= T EigKep= 1.10D-06 NBF= 666 NBsUse= 663 1.00D-06 EigRej= 9.62D-07 NBFU= 663 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= 682 682 682 682 682 MxSgAt= 39 MxSgA2= 39. 1 Closed 1 1 1 -1391.02803824609 -1391.02803824602 0.000000000066 -1391.02803825 2 1.385939371807e+03 -8.057398634137e+03 2.882251178751e+03 Using DIIS extrapolation, IDIIS= 1040. NGot= 11324620800 LenX= 11323647452 LenY= 11323166510 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. PT418.900S Wed Feb 8 06:12:25 2023 -24.73054 -24.72733 -24.72560 -24.68642 -19.19885 -19.10607 -14.36321 -14.34549 -10.44737 -10.30292 -10.29248 -10.27198 -10.25902 -10.24603 -10.23205 -10.23076 -10.22153 -10.21729 -10.21409 -10.21338 -10.21293 -10.21190 -10.20378 -10.19071 -10.18843 -10.18616 -10.18355 -1.33376 -1.24822 -1.24262 -1.22427 -1.12522 -1.05949 -0.98502 -0.95644 -0.90496 -0.86800 -0.83959 -0.82369 -0.80582 -0.78194 -0.76801 -0.75878 -0.73061 -0.69648 -0.68306 -0.66107 -0.64956 -0.64182 -0.63220 -0.61248 -0.60989 -0.60224 -0.59084 -0.57171 -0.55230 -0.54823 -0.53941 -0.53456 -0.51927 -0.51503 -0.49837 -0.49081 -0.48986 -0.48691 -0.47931 -0.46924 -0.46678 -0.45976 -0.45823 -0.45003 -0.44743 -0.44453 -0.43985 -0.43655 -0.43475 -0.43154 -0.42999 -0.41944 -0.40817 -0.40582 -0.40542 -0.40119 -0.39184 -0.38224 -0.36581 -0.35811 -0.32409 -0.32260 -0.31709 -0.29800 -0.29078 -0.27395 -0.27059 -0.26614 -0.23001 -0.08177 -0.06048 -0.05287 -0.03921 -0.02740 -0.01203 -0.00940 -0.00222 0.00849 0.01529 0.01804 0.02172 0.02678 0.03247 0.03476 0.03681 0.04045 0.04184 0.04343 0.05042 0.05737 0.06042 0.06145 0.06549 0.06930 0.07566 0.07766 0.08220 0.08675 0.08844 0.09176 0.09359 0.09717 0.09919 0.10329 0.10432 0.10702 0.11261 0.11380 0.11622 0.12290 0.12740 0.13128 0.13491 0.13588 0.13787 0.14007 0.14220 0.14450 0.14669 0.14908 0.15032 0.15216 0.15653 0.15891 0.16292 0.16712 0.17165 0.17335 0.17728 0.17954 0.18224 0.18401 0.18501 0.18768 0.19015 0.19338 0.19546 0.19617 0.20060 0.20449 0.20481 0.20849 0.21042 0.21331 0.21422 0.21849 0.21912 0.22178 0.22294 0.22680 0.22999 0.23186 0.23530 0.23719 0.23779 0.23931 0.24714 0.24907 0.25076 0.25281 0.25445 0.25623 0.25860 0.26180 0.26499 0.26811 0.27198 0.27615 0.27986 0.28299 0.29008 0.29215 0.29359 0.29553 0.30290 0.30565 0.30912 0.31123 0.31637 0.32074 0.32387 0.32581 0.32807 0.33295 0.33805 0.34248 0.34642 0.34882 0.35010 0.35564 0.35996 0.36119 0.36602 0.36886 0.37181 0.37570 0.37815 0.38262 0.38656 0.38924 0.39544 0.39907 0.40742 0.41180 0.41319 0.41937 0.42262 0.43257 0.43852 0.44105 0.44467 0.44658 0.45629 0.46062 0.46164 0.46853 0.47712 0.49041 0.49982 0.50299 0.50948 0.51088 0.51956 0.52746 0.53469 0.53776 0.54351 0.54702 0.55374 0.55793 0.56060 0.56523 0.57522 0.57824 0.57963 0.58359 0.59495 0.59717 0.60103 0.60566 0.61030 0.61993 0.62145 0.62643 0.63629 0.63734 0.64122 0.64739 0.65179 0.65814 0.66140 0.66598 0.67019 0.67795 0.68557 0.68858 0.69143 0.69631 0.70181 0.70625 0.71094 0.71667 0.71979 0.72295 0.72945 0.73739 0.74509 0.74806 0.75370 0.75973 0.76777 0.77338 0.77716 0.78572 0.79226 0.80152 0.80346 0.80803 0.82099 0.83246 0.83501 0.84478 0.85016 0.85436 0.86142 0.86830 0.87891 0.88158 0.88488 0.89467 0.89989 0.90632 0.91637 0.91855 0.92560 0.92777 0.94144 0.95563 0.95704 0.96910 0.97267 0.98828 0.99083 0.99827 1.00223 1.00677 1.01309 1.01821 1.02019 1.02967 1.03448 1.03603 1.04487 1.05102 1.05583 1.05860 1.06642 1.07458 1.07748 1.08266 1.08622 1.10875 1.11653 1.12075 1.13146 1.13647 1.14139 1.15376 1.16614 1.18588 1.18974 1.19790 1.22039 1.23210 1.23831 1.26464 1.28514 1.29070 1.30962 1.31663 1.32136 1.33755 1.34389 1.37104 1.37988 1.39046 1.39975 1.40472 1.42111 1.42772 1.43705 1.44433 1.44874 1.45914 1.46249 1.46739 1.48593 1.49262 1.49383 1.50080 1.51218 1.51411 1.51898 1.52847 1.53304 1.53525 1.53661 1.54021 1.54332 1.54671 1.55279 1.55646 1.55973 1.56405 1.56727 1.57104 1.57120 1.58059 1.60866 1.61183 1.62412 1.64538 1.65130 1.65514 1.66189 1.66647 1.67396 1.67815 1.68836 1.70093 1.70505 1.71482 1.72578 1.73244 1.73803 1.74283 1.75370 1.76351 1.77884 1.79098 1.80252 1.81290 1.83120 1.84561 1.87049 1.87764 1.89046 1.89302 1.89639 1.90147 1.90852 1.91676 1.91970 1.92337 1.92702 1.93573 1.94138 1.95190 1.96113 1.96274 1.97555 1.97670 1.98884 1.99278 1.99622 2.00602 2.01555 2.02003 2.02977 2.03119 2.04453 2.05277 2.05758 2.07424 2.08467 2.08779 2.09725 2.11006 2.12593 2.14560 2.16533 2.16710 2.17201 2.21751 2.21977 2.22945 2.24141 2.25589 2.27308 2.31520 2.31982 2.33271 2.34126 2.36612 2.38445 2.39428 2.41149 2.42476 2.43584 2.44182 2.45884 2.46663 2.49809 2.50299 2.54538 2.56074 2.61698 2.62481 2.63070 2.63475 2.64556 2.66125 2.67177 2.69171 2.69341 2.69864 2.70446 2.70865 2.71844 2.72167 2.72648 2.72898 2.73875 2.74549 2.75175 2.75562 2.75854 2.77146 2.77858 2.78220 2.78804 2.79554 2.79877 2.80668 2.81147 2.81887 2.84122 2.84607 2.85584 2.85914 2.87747 2.88439 2.89014 2.90456 2.92606 2.93323 2.93777 2.94540 2.95387 2.96020 2.97543 3.00869 3.02651 3.03276 3.06578 3.07457 3.08060 3.08808 3.11189 3.11997 3.15757 3.16489 3.18172 3.20703 3.23239 3.26978 3.28758 3.33928 3.34485 3.35464 3.36057 3.36986 3.39203 3.42566 3.44906 3.47117 3.49075 3.49930 3.50640 3.51612 3.55684 3.58444 3.60295 3.61366 3.66373 3.67616 3.70321 3.70999 3.73567 3.74186 3.75833 3.76633 3.76975 3.78181 3.79231 3.85404 3.87631 3.87951 3.90068 3.90576 3.92062 3.94045 3.94841 3.96798 3.97254 3.98507 3.99564 3.99770 4.02400 4.07886 4.09719 4.12280 4.12768 4.14336 4.15903 4.16986 4.17818 4.19112 4.19919 4.26778 4.47460 4.54106 4.69224 4.81906 4.84967 4.86282 4.87764 4.91213 4.93632 5.07020 5.10093 5.11955 5.22279 5.33000 5.44368 5.81344 5.90421 6.31503 6.32842 6.35364 6.37052 6.39251 6.40116 6.41850 6.45042 6.47706 6.72503 6.74017 6.75298 23.50669 23.58690 23.62454 23.68119 23.87475 23.91210 23.92038 23.92899 23.93574 23.95166 23.97179 24.04374 24.04810 24.05860 24.06464 24.10244 24.12828 24.15962 24.18668 35.63623 35.70505 49.95893 50.05384 66.74398 66.77082 66.80142 66.81802 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 H C C C C C C H C O F F F H C C C C H C H H O N F C C H C H C C C H H C H N H 0.151836 0.375015 -0.620572 0.523731 0.249904 -0.462636 0.686187 0.136362 -0.895724 0.011789 -0.116431 -0.077287 -0.032418 0.142659 -0.044173 -0.381918 -0.034396 -0.294283 0.145277 0.055132 0.162936 0.145181 -0.350518 -0.152949 -0.196264 -0.219304 -0.086926 0.138145 -0.196540 0.156932 0.159327 0.318556 -0.237027 0.138034 0.144669 -0.021066 0.321876 0.082112 0.174774 0.00000 -5.8403 0.7278 1.9492 6.1999 -158.9142 -150.5796 -151.4642 -7.8948 -4.1472 -9.0915 -5.2616 3.0731 2.1885 -7.8948 -4.1472 -9.0915 -90.4522 -22.3039 -6.7284 -53.3945 42.6738 -4.3051 -18.3675 -30.4433 10.6726 24.4847 -8058.5749 -5345.2082 -827.9199 137.8016 -58.5423 -327.9025 -84.8148 -40.4935 44.6087 -2032.3658 -1372.4340 -1051.4297 -6.7692 25.3113 28.3758 (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A) (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(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-PIMPOLLAR MLEIFERM 2023-02-08T00:00:00.000 0 Wavefunction CONF2 gas 0 1 Version=EM64L-G16RevC.01 State=1-A HF=-1391.0280382 RMSD=9.241e-10 Dipole=2.333358,0.0636121,0.7079218 Quadrupole=-2.1271507,1.3880621,0.7390885,-6.1793181,2.5720305,7.2755816 PG=C01 [X(C19H12F4N2O2)] 0 1.9553155554 0.8806494537 -1.4000900974 0 2.0985333874 1.3953837051 -0.4605982137 0 1.4391490717 2.5895100839 -0.1885694223 0 0.468153489 3.15987187 -1.1861893802 0 1.6313270112 3.2585471333 1.02311045 0 2.4950333538 2.7193397868 1.9692199187 0 3.1549500488 1.5166559476 1.7159750119 0 3.8281768361 1.0771981557 2.4413668105 0 2.9490163443 0.8669332366 0.5067560358 0 3.681422164 -0.287621965 0.2640883439 0 0.5842320643 2.5984880137 -2.4069592733 0 0.6206398788 4.4944649597 -1.3373780219 0 -0.8204541946 2.9652174103 -0.7869172648 0 2.6560548569 3.2327562383 2.909394313 0 1.1078562588 -2.7021128154 -0.0660445957 0 3.0318617926 -1.4736432069 0.0507968242 0 3.8355488192 -2.5871873503 -0.2278301309 0 3.1956704746 -3.8003906841 -0.4215395223 0 3.7766800412 -4.6894834895 -0.6374240568 0 1.8011735555 -3.8716815232 -0.3397408738 0 1.2530735516 -4.7923554827 -0.4841621837 0 1.1160544235 4.191445938 1.2141778775 0 -1.0289918475 -3.7652737513 -0.1115631281 0 -0.9378092991 -1.4852131466 0.2184145388 0 -6.182913402 0.2334825364 0.6136903752 0 -4.9017191274 -0.2052041276 0.5146461438 0 -3.874495835 0.7250260695 0.4828819662 0 -4.0996367302 1.7827638154 0.5306353106 0 -2.5662306349 0.2686885435 0.3804072164 0 -1.7562320131 0.9880320762 0.339584675 0 -2.2899471325 -1.1046857778 0.3124251669 0 -3.3468506769 -2.0247533242 0.3438549047 0 -4.6586150903 -1.5663306374 0.4453970374 0 -5.4894215715 -2.2602166922 0.4707172309 0 4.9103094051 -2.476783611 -0.2806867448 0 -0.4029421968 -2.7226573019 0.0120702698 0 -0.2442842083 -0.7497041981 0.2972375635 0 1.7190989125 -1.5195302573 0.128854137 0 -3.1392341351 -3.0818262839 0.2842381067 Gaussian 16 8-Feb-2023 Gaussian 16 3-Jul-2019 EM64L-G16RevC.01 111 C1[X(C19H12F4N2O2)] 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 0 364.20911279999984 AuxInfo=1/0/N:2;3;4;5;6;7;9;15;16;17;18;20;26;27;29;31;32;33;36;11;12;13;25;24;38;10;23;1;8;14;19;21;22;28;30;34;35;37;39/rA:39nH0C0C0C0C0C0C0H0C0O0F0F0F0H0C0C0C0C0H0C0H0H0O0N0F0C0C0H0C0H0C0C0C0H0H0C0H0N0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:1.9553,.8806,-1.4001;2.0985,1.3954,-.4606;1.4391,2.5895,-.1886;.4682,3.1599,-1.1862;1.6313,3.2585,1.0231;2.495,2.7193,1.9692;3.1549,1.5167,1.716;3.8282,1.0772,2.4414;2.949,.8669,.5068;3.6814,-.2876,.2641;.5842,2.5985,-2.407;.6206,4.4945,-1.3374;-.8205,2.9652,-.7869;2.6561,3.2328,2.9094;1.1079,-2.7021,-.066;3.0319,-1.4736,.0508;3.8355,-2.5872,-.2278;3.1957,-3.8004,-.4215;3.7767,-4.6895,-.6374;1.8012,-3.8717,-.3397;1.2531,-4.7924,-.4842;1.1161,4.1914,1.2142;-1.029,-3.7653,-.1116;-.9378,-1.4852,.2184;-6.1829,.2335,.6137;-4.9017,-.2052,.5146;-3.8745,.725,.4829;-4.0996,1.7828,.5306;-2.5662,.2687,.3804;-1.7562,.988,.3396;-2.2899,-1.1047,.3124;-3.3469,-2.0248,.3439;-4.6586,-1.5663,.4454;-5.4894,-2.2602,.4707;4.9103,-2.4768,-.2807;-.4029,-2.7227,.0121;-.2443,-.7497,.2972;1.7191,-1.5195,.1289;-3.1392,-3.0818,.2842; oldchk=/home/mleiferm/archivo/herbicides/group12/picolinafen/gaussian/gas/CONF2 #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 CONF2 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 1 12 12 12 12 12 12 1 12 16 19 19 19 1 12 12 12 12 1 12 1 1 16 14 19 12 12 1 12 1 12 12 12 1 1 12 1 14 1 1.0078250 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 1.0078250 12.0000000 15.9949146 18.9984033 18.9984033 18.9984033 1.0078250 12.0000000 12.0000000 12.0000000 12.0000000 1.0078250 12.0000000 1.0078250 1.0078250 15.9949146 14.0030740 18.9984033 12.0000000 12.0000000 1.0078250 12.0000000 1.0078250 12.0000000 12.0000000 12.0000000 1.0078250 1.0078250 12.0000000 1.0078250 14.0030740 1.0078250 1 0 0 0 0 0 0 1 0 0 1 1 1 1 0 0 0 0 1 0 1 1 0 2 1 0 0 1 0 1 0 0 0 1 1 0 1 2 1 1.0000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 1.0000000 3.6000000 5.6000000 6.7500000 6.7500000 6.7500000 1.0000000 3.6000000 3.6000000 3.6000000 3.6000000 1.0000000 3.6000000 1.0000000 1.0000000 5.6000000 4.5500000 6.7500000 3.6000000 3.6000000 1.0000000 3.6000000 1.0000000 3.6000000 3.6000000 3.6000000 1.0000000 1.0000000 3.6000000 1.0000000 4.5500000 1.0000000 (Enter /usr/local/gaussian/gaussian16/g16/l101.exe) 6-311+G(d,p) (5D, 7F) 0.10000e-02 0.10000e-05 F 693 A 666 A 666 1068 693 96 96 2398.2185484315 39 39 39 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 -0.0385030979 0.000000 1.080790 0.000000 2.157409 1.390944 0.000000 2.729883 2.509590 1.504457 0.000000 3.410464 2.427149 1.397394 2.498743 0.000000 3.876123 2.795369 2.405785 3.776098 1.389912 0.000000 3.399042 2.422436 2.778899 4.282709 2.415714 1.395017 0.000000 4.278204 3.393274 3.861490 5.365301 3.405273 2.167216 1.082844 0.000000 2.150277 1.392248 2.393835 3.778665 2.778983 2.403396 1.388077 2.135381 0.000000 2.667169 2.421408 3.675674 4.930884 4.165852 3.654697 2.374988 2.573871 1.388634 0.000000 2.417566 2.743882 2.377439 1.348668 3.646569 4.776684 4.977704 6.028579 4.132823 5.005668 0.000000 3.852915 3.543616 2.370353 1.351758 2.849717 4.194998 4.961153 6.020375 4.688406 5.899274 2.177167 0.000000 3.525096 3.330368 2.367485 1.363018 3.061613 4.318473 4.915958 5.966256 4.503920 5.652651 2.175355 2.172178 0.000000 4.959344 3.878610 3.389986 4.643924 2.146811 1.083260 2.148987 2.497869 3.384615 4.521292 5.740937 4.875438 5.081379 0.000000 3.915872 4.233981 5.303399 6.002234 6.081920 5.954722 5.016393 5.288709 4.056607 3.544291 5.818112 7.324234 6.029649 6.817098 0.000000 2.967612 3.060056 4.370726 5.438032 5.029962 4.642159 3.424888 3.585489 2.386013 1.368966 5.349178 6.584781 5.936799 5.519330 2.285736 0.000000 4.115260 4.351124 5.704601 6.729524 6.371504 5.897732 4.591636 4.533474 3.640948 2.356637 6.496991 7.855987 7.267747 6.716035 2.734902 1.401259 0.000000 4.940463 5.310490 6.631024 7.514605 7.373112 6.979506 5.730760 5.690973 4.765132 3.611867 7.190768 8.733509 7.876307 7.800735 2.385699 2.379851 1.385218 0.000000 5.909772 6.314511 7.658281 8.535799 8.398280 7.957881 6.666423 6.537295 5.733057 4.494239 8.150921 9.736295 8.930310 8.752006 3.376202 3.371948 2.142634 1.083819 0.000000 4.871627 5.276837 6.473091 7.206675 7.261293 7.018141 5.923923 6.027828 4.948593 4.092118 6.900539 8.507723 7.335945 7.858800 1.386899 2.723546 2.408554 1.398712 2.158713 0.000000 5.789219 6.245276 7.390124 8.021650 8.199511 7.999195 6.947040 7.045675 5.990467 5.171980 7.666098 9.347352 8.035615 8.825361 2.136592 3.803172 3.405532 2.182109 2.530348 1.081162 0.000000 4.301178 3.404130 2.153669 2.691781 1.082734 2.153780 3.400500 4.308148 3.861681 5.248412 3.991614 2.616810 3.042710 2.482830 7.011433 6.092373 7.444791 8.418422 9.454008 8.240029 9.143950 0.000000 5.670185 6.044471 6.817692 7.166164 7.595975 7.668026 6.981694 7.318406 6.137117 5.867127 6.954768 8.511592 6.767503 8.466297 2.387154 4.665669 5.006512 4.236165 4.921908 2.841342 2.530128 8.346748 0.000000 4.072718 4.240079 4.734864 5.052372 5.454471 5.703332 5.291936 5.849965 4.552268 4.772170 5.087810 6.372268 4.564077 6.512793 2.397188 3.973225 4.919190 4.780716 5.764219 3.675431 4.028743 6.118362 2.305618 0.000000 8.408621 8.431279 8.018125 7.485988 8.389338 9.128182 9.489850 10.211473 9.154498 9.884275 7.778935 8.261415 6.179000 9.612141 7.888921 9.388462 10.441931 10.261660 11.180089 9.028125 9.042026 8.324722 6.563456 5.533649 0.000000 7.201682 7.246828 6.965023 6.561411 7.411936 8.085833 8.325738 9.031494 7.923610 8.587193 6.818514 7.484206 5.329387 8.641431 6.533510 8.047720 9.086527 8.908958 9.836190 7.687770 7.740869 7.485551 5.297570 4.175974 1.357834 0.000000 6.128336 6.084128 5.671152 5.250988 6.084789 6.837938 7.180551 7.955555 6.825029 7.626613 5.633941 6.142334 3.994749 7.404375 6.072103 7.260759 8.421440 8.443022 9.439941 7.349806 7.593987 6.120168 5.349117 3.685000 2.363793 1.386191 0.000000 6.419031 6.288873 5.643248 5.070367 5.938385 6.814424 7.355601 8.185288 7.107941 8.056204 5.588693 5.755329 3.726551 7.307554 6.898415 7.854470 9.090595 9.235787 10.261126 8.218873 8.538941 5.785535 6.373539 4.557884 2.597540 2.143737 1.082487 0.000000 4.897861 4.872038 4.664013 4.474444 5.193439 5.843493 6.006086 6.766808 5.549037 6.273450 4.808617 5.564541 3.417843 6.515653 4.745935 5.872223 7.036246 7.099298 8.114922 6.060982 6.399120 5.444485 4.344881 2.398785 3.624370 2.386860 1.389353 2.160168 0.000000 4.100437 3.957960 3.613051 3.463057 4.134973 4.870975 5.127729 5.967500 4.709774 5.585792 3.951562 4.555963 2.460477 5.577722 4.688785 5.391575 6.661244 6.930342 7.987606 6.060811 6.568665 4.390536 4.829734 2.607957 4.498887 3.368761 2.139334 2.481863 1.084075 0.000000 4.989641 5.109469 5.272972 5.295226 5.909253 6.345406 6.203893 6.835529 5.601052 6.027203 5.419359 6.522565 4.464535 7.072523 3.773603 5.340995 6.325456 6.156097 7.110341 4.981853 5.175563 6.361055 2.974643 1.407805 4.127547 2.769714 2.426457 3.414668 1.402537 2.159874 0.000000 6.292510 6.480485 6.669385 6.616315 7.290878 7.699080 7.529788 8.093373 6.930103 7.240208 6.662939 7.814585 5.706236 8.382021 4.524516 6.409179 7.227034 6.822265 7.668663 5.511860 5.431808 7.701696 2.934159 2.471906 3.635339 2.399488 2.803395 3.885712 2.422928 3.406899 1.401627 0.000000 7.289555 7.433144 7.406460 7.161202 7.948369 8.477246 8.495350 9.110312 7.987527 8.439443 7.277987 8.232986 6.065064 9.088835 5.899472 7.701152 8.581737 8.211724 9.059845 6.903619 6.798484 8.190838 4.280154 3.728605 2.364558 1.384399 2.422099 3.396492 2.783809 3.867789 2.416896 1.393265 0.000000 8.293918 8.473950 8.482900 8.222858 9.025905 9.528537 9.515282 10.091553 8.999311 9.382867 8.293208 9.285892 7.119414 10.122682 6.633812 8.567806 9.356813 8.865612 9.643130 7.510422 7.265312 9.263315 4.743383 4.624009 2.592279 2.137850 3.394084 4.275603 3.866337 4.950255 3.405429 2.159201 1.082755 0.000000 4.610576 4.788751 6.142049 7.233572 6.733916 6.155919 4.797448 4.605581 3.955652 2.568924 6.999597 8.253252 7.919173 6.917885 3.815166 2.155165 1.081708 2.170659 2.511656 3.408218 4.333434 7.816411 6.079812 5.952546 11.454477 10.102897 9.381227 9.999056 7.992078 7.538731 7.353783 8.293074 9.639525 10.429090 0.000000 4.532041 4.841390 5.626071 6.066200 6.398067 6.468696 5.790826 6.184072 4.936142 4.761821 5.927968 7.413203 5.758873 7.295129 1.512956 3.655053 4.247436 3.781473 4.664707 2.510409 2.696718 7.180337 1.222404 1.363792 6.519876 5.179686 4.915269 5.850921 3.709938 3.963316 2.503764 3.043641 4.431209 5.128009 5.326988 0.000000 3.221368 3.265656 3.770982 4.241805 4.484516 4.725849 4.324812 4.951747 3.585329 3.952947 4.382866 5.560699 3.912545 5.576318 2.402531 3.364217 4.505228 4.653667 5.706453 3.786341 4.381289 5.206368 3.142697 1.013984 6.027779 4.694193 3.922720 4.618616 2.536824 2.303803 2.076290 3.354675 4.491675 5.461063 5.466867 1.999759 0.000000 2.855579 2.998024 4.130780 5.019064 4.861833 4.685834 3.714707 4.066807 2.711220 2.320905 4.967529 6.286858 5.234590 5.585116 1.345401 1.315882 2.397181 2.772277 3.856089 2.399778 3.362195 5.844385 3.557129 2.658639 8.108632 6.761030 6.037522 6.702556 4.650275 4.290711 4.034631 5.095618 6.385736 7.254533 3.356767 2.442174 2.115622 0.000000 6.670278 6.930685 7.304053 7.357595 7.968972 8.260609 7.925444 8.396160 7.260097 7.370844 7.305663 8.611996 6.564362 8.963859 4.278394 6.381471 7.011026 6.414474 7.159881 5.041909 4.775847 8.477780 2.253194 2.720253 4.512626 3.381478 3.882292 4.964607 3.400519 4.298779 2.152015 1.078917 2.152026 2.496637 8.091994 2.773152 3.717485 5.105714 0.000000 C19H12F4N2O2 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 0 364.20911279999984 AuxInfo=1/0/N:2;3;4;5;6;7;9;15;16;17;18;20;26;27;29;31;32;33;36;11;12;13;25;24;38;10;23;1;8;14;19;21;22;28;30;34;35;37;39/rA:39nH0C0C0C0C0C0C0H0C0O0F0F0F0H0C0C0C0C0H0C0H0H0O0N0F0C0C0H0C0H0C0C0C0H0H0C0H0N0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:-2.0456,-.6867,-1.3212;-2.2266,-1.13,-.3522;-1.7238,-2.3869,-.0327;-.8691,-3.1318,-1.0216;-1.9653,-2.9627,1.2174;-2.7195,-2.2657,2.154;-3.2211,-.9993,1.8528;-3.8068,-.4376,2.5697;-2.9684,-.4443,.6058;-3.5479,.7847,.3195;-.9476,-2.6215,-2.2675;-1.2025,-4.4396,-1.0973;.4458,-3.0927,-.6648;-2.918,-2.7052,3.124;-.6874,2.8115,-.2022;-2.7532,1.8604,.0271;-3.4098,3.0567,-.2912;-2.6205,4.1616,-.5652;-3.0845,5.1089,-.8142;-1.2271,4.0486,-.5213;-.5661,4.8787,-.7282;-1.5731,-3.9458,1.4457;1.5695,3.5738,-.3567;1.186,1.3461,.0972;6.1654,-1.0409,.4563;4.9515,-.4393,.3651;3.8091,-1.2233,.4083;3.8928,-2.298,.5072;2.5707,-.6007,.3134;1.6713,-1.2057,.3309;2.4777,.7922,.1786;3.6481,1.5621,.1349;4.8897,.937,.2289;5.8059,1.5132,.1968;-4.4909,3.0894,-.3119;.8144,2.6324,-.1621;.4035,.7154,.2322;-1.4442,1.7331,.0706;3.5813,2.6332,.0237; 0.1954568 0.1498107 0.0945140 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= 666 RedAO= T EigKep= 1.10D-06 NBF= 666 NBsUse= 663 1.00D-06 EigRej= 9.62D-07 NBFU= 663 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= 682 682 682 682 682 MxSgAt= 39 MxSgA2= 39. 1 Closed 1 1 1 -1391.02803824609 -1391.02803825 1 1.385939371526e+03 -8.057398632803e+03 2.882251177697e+03 Using DIIS extrapolation, IDIIS= 1040. NGot= 11324620800 LenX= 11323647452 LenY= 11323166510 Requested convergence on RMS density matrix=1.00D-08 within 128 cycles. Requested convergence on MAX density matrix=1.00D-06. Requested convergence on energy=1.00D-06. No special actions if energy rises. Fock matrices will be formed incrementally for 20 cycles. 1 Singlet-A 3.5689 347.40 0.1518 0.000 96 97 0.70323 -1390.89688338 2 Singlet-A 4.0422 306.72 0.0001 0.000 93 97 0.58794 94 97 -0.28137 95 97 0.22710 3 Singlet-A 4.1385 299.59 0.0008 0.000 96 98 0.70491 4 Singlet-A 4.3388 285.75 0.0502 0.000 96 99 0.69308 5 Singlet-A 4.4661 277.61 0.0808 0.000 93 97 -0.16426 94 97 0.12388 95 97 0.62980 96 99 -0.11056 6 Singlet-A 4.5577 272.03 0.0044 0.000 93 97 0.27638 94 97 0.54408 96 101 -0.32761 7 Singlet-A 4.7027 263.65 0.0442 0.000 96 100 0.69933 8 Singlet-A 4.9083 252.60 0.0046 0.000 91 99 -0.10223 93 97 -0.11214 94 97 -0.24008 94 103 -0.12415 95 98 0.42984 96 101 -0.42421 9 Singlet-A 4.9152 252.25 0.0778 0.000 91 99 -0.12037 94 97 0.21503 94 103 0.11618 95 98 0.48174 96 101 0.37169 10 Singlet-A 5.0088 247.53 0.0545 0.000 88 97 -0.15025 89 97 0.22104 91 97 -0.13585 92 97 0.56886 93 99 0.14905 95 99 -0.10232 PT16134.600S Wed Feb 8 06:46:04 2023 -24.73054 -24.72733 -24.72560 -24.68642 -19.19885 -19.10607 -14.36321 -14.34549 -10.44737 -10.30292 -10.29248 -10.27198 -10.25902 -10.24603 -10.23205 -10.23076 -10.22153 -10.21729 -10.21409 -10.21338 -10.21293 -10.21190 -10.20378 -10.19071 -10.18843 -10.18616 -10.18355 -1.33376 -1.24822 -1.24262 -1.22427 -1.12522 -1.05949 -0.98502 -0.95644 -0.90496 -0.86800 -0.83959 -0.82369 -0.80582 -0.78194 -0.76801 -0.75878 -0.73061 -0.69648 -0.68306 -0.66107 -0.64956 -0.64182 -0.63220 -0.61248 -0.60989 -0.60224 -0.59084 -0.57171 -0.55230 -0.54823 -0.53941 -0.53456 -0.51927 -0.51503 -0.49837 -0.49081 -0.48986 -0.48691 -0.47931 -0.46924 -0.46678 -0.45976 -0.45823 -0.45003 -0.44743 -0.44453 -0.43985 -0.43655 -0.43475 -0.43154 -0.42999 -0.41944 -0.40817 -0.40582 -0.40542 -0.40119 -0.39184 -0.38224 -0.36581 -0.35811 -0.32409 -0.32260 -0.31709 -0.29800 -0.29078 -0.27395 -0.27059 -0.26614 -0.23001 -0.08177 -0.06048 -0.05287 -0.03921 -0.02740 -0.01203 -0.00940 -0.00222 0.00849 0.01529 0.01804 0.02172 0.02678 0.03247 0.03476 0.03681 0.04045 0.04184 0.04343 0.05042 0.05737 0.06042 0.06145 0.06549 0.06930 0.07566 0.07766 0.08220 0.08675 0.08844 0.09176 0.09359 0.09717 0.09919 0.10329 0.10432 0.10702 0.11261 0.11380 0.11622 0.12290 0.12740 0.13128 0.13491 0.13588 0.13787 0.14007 0.14220 0.14450 0.14669 0.14908 0.15032 0.15216 0.15653 0.15891 0.16292 0.16712 0.17165 0.17335 0.17728 0.17954 0.18224 0.18401 0.18501 0.18768 0.19015 0.19338 0.19546 0.19617 0.20060 0.20449 0.20481 0.20849 0.21042 0.21331 0.21422 0.21849 0.21912 0.22178 0.22294 0.22680 0.22999 0.23186 0.23530 0.23719 0.23779 0.23931 0.24714 0.24907 0.25076 0.25281 0.25445 0.25623 0.25860 0.26180 0.26499 0.26811 0.27198 0.27615 0.27986 0.28299 0.29008 0.29215 0.29359 0.29553 0.30290 0.30565 0.30912 0.31123 0.31637 0.32074 0.32387 0.32581 0.32807 0.33295 0.33805 0.34248 0.34642 0.34882 0.35010 0.35564 0.35996 0.36119 0.36602 0.36886 0.37181 0.37570 0.37815 0.38262 0.38656 0.38924 0.39544 0.39907 0.40742 0.41180 0.41319 0.41937 0.42262 0.43257 0.43852 0.44105 0.44467 0.44658 0.45629 0.46062 0.46164 0.46853 0.47712 0.49041 0.49982 0.50299 0.50948 0.51088 0.51956 0.52746 0.53469 0.53776 0.54351 0.54702 0.55374 0.55793 0.56060 0.56523 0.57522 0.57824 0.57963 0.58359 0.59495 0.59717 0.60103 0.60566 0.61030 0.61993 0.62145 0.62643 0.63629 0.63734 0.64122 0.64739 0.65179 0.65814 0.66140 0.66598 0.67019 0.67795 0.68557 0.68858 0.69143 0.69631 0.70181 0.70625 0.71094 0.71667 0.71979 0.72295 0.72945 0.73739 0.74509 0.74806 0.75370 0.75973 0.76777 0.77338 0.77716 0.78572 0.79226 0.80152 0.80346 0.80803 0.82099 0.83246 0.83501 0.84478 0.85016 0.85436 0.86142 0.86830 0.87891 0.88158 0.88488 0.89467 0.89989 0.90632 0.91637 0.91855 0.92560 0.92777 0.94144 0.95563 0.95704 0.96910 0.97267 0.98828 0.99083 0.99827 1.00223 1.00677 1.01309 1.01821 1.02019 1.02967 1.03448 1.03603 1.04487 1.05102 1.05583 1.05860 1.06642 1.07458 1.07748 1.08266 1.08622 1.10875 1.11653 1.12075 1.13146 1.13647 1.14139 1.15376 1.16614 1.18588 1.18974 1.19790 1.22039 1.23210 1.23831 1.26464 1.28514 1.29070 1.30962 1.31663 1.32136 1.33755 1.34389 1.37104 1.37988 1.39046 1.39975 1.40472 1.42111 1.42772 1.43705 1.44433 1.44874 1.45914 1.46249 1.46739 1.48593 1.49262 1.49383 1.50080 1.51218 1.51411 1.51898 1.52847 1.53304 1.53525 1.53661 1.54021 1.54332 1.54671 1.55279 1.55646 1.55973 1.56405 1.56727 1.57104 1.57120 1.58059 1.60866 1.61183 1.62412 1.64538 1.65130 1.65514 1.66189 1.66647 1.67396 1.67815 1.68836 1.70093 1.70505 1.71482 1.72578 1.73244 1.73803 1.74283 1.75370 1.76351 1.77884 1.79098 1.80252 1.81290 1.83120 1.84561 1.87049 1.87764 1.89046 1.89302 1.89639 1.90147 1.90852 1.91676 1.91970 1.92337 1.92702 1.93573 1.94138 1.95190 1.96113 1.96274 1.97555 1.97670 1.98884 1.99278 1.99622 2.00602 2.01555 2.02003 2.02977 2.03119 2.04453 2.05277 2.05758 2.07424 2.08467 2.08779 2.09725 2.11006 2.12593 2.14560 2.16533 2.16710 2.17201 2.21751 2.21977 2.22945 2.24141 2.25589 2.27308 2.31520 2.31982 2.33271 2.34126 2.36612 2.38445 2.39428 2.41149 2.42476 2.43584 2.44182 2.45884 2.46663 2.49809 2.50299 2.54538 2.56074 2.61698 2.62481 2.63070 2.63475 2.64556 2.66125 2.67177 2.69171 2.69341 2.69864 2.70446 2.70865 2.71844 2.72167 2.72648 2.72898 2.73875 2.74549 2.75175 2.75562 2.75854 2.77146 2.77858 2.78220 2.78804 2.79554 2.79877 2.80668 2.81147 2.81887 2.84122 2.84607 2.85584 2.85914 2.87747 2.88439 2.89014 2.90456 2.92606 2.93323 2.93777 2.94540 2.95387 2.96020 2.97543 3.00869 3.02651 3.03276 3.06578 3.07457 3.08060 3.08808 3.11189 3.11997 3.15757 3.16489 3.18172 3.20703 3.23239 3.26978 3.28758 3.33928 3.34485 3.35464 3.36057 3.36986 3.39203 3.42566 3.44906 3.47117 3.49075 3.49930 3.50640 3.51612 3.55684 3.58444 3.60295 3.61366 3.66373 3.67616 3.70321 3.70999 3.73567 3.74186 3.75833 3.76633 3.76975 3.78181 3.79231 3.85404 3.87631 3.87951 3.90068 3.90576 3.92062 3.94045 3.94841 3.96798 3.97254 3.98507 3.99564 3.99770 4.02400 4.07886 4.09719 4.12280 4.12768 4.14336 4.15903 4.16986 4.17818 4.19112 4.19919 4.26778 4.47460 4.54106 4.69224 4.81906 4.84967 4.86282 4.87764 4.91213 4.93632 5.07020 5.10093 5.11955 5.22279 5.33000 5.44368 5.81344 5.90421 6.31503 6.32842 6.35364 6.37052 6.39251 6.40116 6.41850 6.45042 6.47706 6.72503 6.74017 6.75298 23.50669 23.58690 23.62454 23.68119 23.87475 23.91210 23.92038 23.92899 23.93574 23.95166 23.97179 24.04374 24.04810 24.05860 24.06464 24.10244 24.12828 24.15962 24.18668 35.63623 35.70505 49.95893 50.05384 66.74398 66.77082 66.80142 66.81802 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 H C C C C C C H C O F F F H C C C C H C H H O N F C C H C H C C C H H C H N H 0.151836 0.375015 -0.620572 0.523731 0.249904 -0.462636 0.686187 0.136362 -0.895724 0.011789 -0.116431 -0.077287 -0.032418 0.142659 -0.044173 -0.381918 -0.034396 -0.294283 0.145277 0.055132 0.162936 0.145181 -0.350518 -0.152949 -0.196264 -0.219304 -0.086926 0.138145 -0.196540 0.156932 0.159327 0.318556 -0.237027 0.138034 0.144669 -0.021066 0.321876 0.082112 0.174774 0.00000 -5.8403 0.7278 1.9492 6.1999 -158.9142 -150.5796 -151.4642 -7.8948 -4.1472 -9.0915 -5.2616 3.0731 2.1885 -7.8948 -4.1472 -9.0915 -90.4522 -22.3038 -6.7284 -53.3945 42.6738 -4.3051 -18.3675 -30.4433 10.6726 24.4847 -8058.5747 -5345.2081 -827.9199 137.8016 -58.5423 -327.9025 -84.8148 -40.4935 44.6087 -2032.3657 -1372.4339 -1051.4297 -6.7692 25.3113 28.3758 (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A) (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(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-PIMPOLLAR MLEIFERM 2023-02-08T00:00:00.000 0 Electronic spectrum CONF2 gas 0 1 Version=EM64L-G16RevC.01 State=1-A HF=-1391.0280382 RMSD=3.920e-09 PG=C01 [X(C19H12F4N2O2)] 0 1.9553155554 0.8806494537 -1.4000900974 0 2.0985333874 1.3953837051 -0.4605982137 0 1.4391490717 2.5895100839 -0.1885694223 0 0.468153489 3.15987187 -1.1861893802 0 1.6313270112 3.2585471333 1.02311045 0 2.4950333538 2.7193397868 1.9692199187 0 3.1549500488 1.5166559476 1.7159750119 0 3.8281768361 1.0771981557 2.4413668105 0 2.9490163443 0.8669332366 0.5067560358 0 3.681422164 -0.287621965 0.2640883439 0 0.5842320643 2.5984880137 -2.4069592733 0 0.6206398788 4.4944649597 -1.3373780219 0 -0.8204541946 2.9652174103 -0.7869172648 0 2.6560548569 3.2327562383 2.909394313 0 1.1078562588 -2.7021128154 -0.0660445957 0 3.0318617926 -1.4736432069 0.0507968242 0 3.8355488192 -2.5871873503 -0.2278301309 0 3.1956704746 -3.8003906841 -0.4215395223 0 3.7766800412 -4.6894834895 -0.6374240568 0 1.8011735555 -3.8716815232 -0.3397408738 0 1.2530735516 -4.7923554827 -0.4841621837 0 1.1160544235 4.191445938 1.2141778775 0 -1.0289918475 -3.7652737513 -0.1115631281 0 -0.9378092991 -1.4852131466 0.2184145388 0 -6.182913402 0.2334825364 0.6136903752 0 -4.9017191274 -0.2052041276 0.5146461438 0 -3.874495835 0.7250260695 0.4828819662 0 -4.0996367302 1.7827638154 0.5306353106 0 -2.5662306349 0.2686885435 0.3804072164 0 -1.7562320131 0.9880320762 0.339584675 0 -2.2899471325 -1.1046857778 0.3124251669 0 -3.3468506769 -2.0247533242 0.3438549047 0 -4.6586150903 -1.5663306374 0.4453970374 0 -5.4894215715 -2.2602166922 0.4707172309 0 4.9103094051 -2.476783611 -0.2806867448 0 -0.4029421968 -2.7226573019 0.0120702698 0 -0.2442842083 -0.7497041981 0.2972375635 0 1.7190989125 -1.5195302573 0.128854137 0 -3.1392341351 -3.0818262839 0.2842381067 Gaussian 16 8-Feb-2023 Gaussian 16 3-Jul-2019 EM64L-G16RevC.01 111 C1[X(C19H12F4N2O2)] 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 0 364.20911279999984 AuxInfo=1/0/N:2;3;4;5;6;7;9;15;16;17;18;20;26;27;29;31;32;33;36;11;12;13;25;24;38;10;23;1;8;14;19;21;22;28;30;34;35;37;39/rA:39nH0C0C0C0C0C0C0H0C0O0F0F0F0H0C0C0C0C0H0C0H0H0O0N0F0C0C0H0C0H0C0C0C0H0H0C0H0N0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:1.9553,.8806,-1.4001;2.0985,1.3954,-.4606;1.4391,2.5895,-.1886;.4682,3.1599,-1.1862;1.6313,3.2585,1.0231;2.495,2.7193,1.9692;3.1549,1.5167,1.716;3.8282,1.0772,2.4414;2.949,.8669,.5068;3.6814,-.2876,.2641;.5842,2.5985,-2.407;.6206,4.4945,-1.3374;-.8205,2.9652,-.7869;2.6561,3.2328,2.9094;1.1079,-2.7021,-.066;3.0319,-1.4736,.0508;3.8355,-2.5872,-.2278;3.1957,-3.8004,-.4215;3.7767,-4.6895,-.6374;1.8012,-3.8717,-.3397;1.2531,-4.7924,-.4842;1.1161,4.1914,1.2142;-1.029,-3.7653,-.1116;-.9378,-1.4852,.2184;-6.1829,.2335,.6137;-4.9017,-.2052,.5146;-3.8745,.725,.4829;-4.0996,1.7828,.5306;-2.5662,.2687,.3804;-1.7562,.988,.3396;-2.2899,-1.1047,.3124;-3.3469,-2.0248,.3439;-4.6586,-1.5663,.4454;-5.4894,-2.2602,.4707;4.9103,-2.4768,-.2807;-.4029,-2.7227,.0121;-.2443,-.7497,.2972;1.7191,-1.5195,.1289;-3.1392,-3.0818,.2842; oldchk=/home/mleiferm/archivo/herbicides/group12/picolinafen/gaussian/gas/CONF2 #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 CONF2 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 1 12 12 12 12 12 12 1 12 16 19 19 19 1 12 12 12 12 1 12 1 1 16 14 19 12 12 1 12 1 12 12 12 1 1 12 1 14 1 1.0078250 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 1.0078250 12.0000000 15.9949146 18.9984033 18.9984033 18.9984033 1.0078250 12.0000000 12.0000000 12.0000000 12.0000000 1.0078250 12.0000000 1.0078250 1.0078250 15.9949146 14.0030740 18.9984033 12.0000000 12.0000000 1.0078250 12.0000000 1.0078250 12.0000000 12.0000000 12.0000000 1.0078250 1.0078250 12.0000000 1.0078250 14.0030740 1.0078250 1 0 0 0 0 0 0 1 0 0 1 1 1 1 0 0 0 0 1 0 1 1 0 2 1 0 0 1 0 1 0 0 0 1 1 0 1 2 1 1.0000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 1.0000000 3.6000000 5.6000000 6.7500000 6.7500000 6.7500000 1.0000000 3.6000000 3.6000000 3.6000000 3.6000000 1.0000000 3.6000000 1.0000000 1.0000000 5.6000000 4.5500000 6.7500000 3.6000000 3.6000000 1.0000000 3.6000000 1.0000000 3.6000000 3.6000000 3.6000000 1.0000000 1.0000000 3.6000000 1.0000000 4.5500000 1.0000000 (Enter /usr/local/gaussian/gaussian16/g16/l101.exe) 6-311+G(3df,2p) (5D, 7F) 0.10000e-02 0.10000e-05 F 1323 A 1161 A 1161 1698 1323 96 96 2398.2185484315 39 39 39 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 -0.0385030979 0.000000 1.080790 0.000000 2.157409 1.390944 0.000000 2.729883 2.509590 1.504457 0.000000 3.410464 2.427149 1.397394 2.498743 0.000000 3.876123 2.795369 2.405785 3.776098 1.389912 0.000000 3.399042 2.422436 2.778899 4.282709 2.415714 1.395017 0.000000 4.278204 3.393274 3.861490 5.365301 3.405273 2.167216 1.082844 0.000000 2.150277 1.392248 2.393835 3.778665 2.778983 2.403396 1.388077 2.135381 0.000000 2.667169 2.421408 3.675674 4.930884 4.165852 3.654697 2.374988 2.573871 1.388634 0.000000 2.417566 2.743882 2.377439 1.348668 3.646569 4.776684 4.977704 6.028579 4.132823 5.005668 0.000000 3.852915 3.543616 2.370353 1.351758 2.849717 4.194998 4.961153 6.020375 4.688406 5.899274 2.177167 0.000000 3.525096 3.330368 2.367485 1.363018 3.061613 4.318473 4.915958 5.966256 4.503920 5.652651 2.175355 2.172178 0.000000 4.959344 3.878610 3.389986 4.643924 2.146811 1.083260 2.148987 2.497869 3.384615 4.521292 5.740937 4.875438 5.081379 0.000000 3.915872 4.233981 5.303399 6.002234 6.081920 5.954722 5.016393 5.288709 4.056607 3.544291 5.818112 7.324234 6.029649 6.817098 0.000000 2.967612 3.060056 4.370726 5.438032 5.029962 4.642159 3.424888 3.585489 2.386013 1.368966 5.349178 6.584781 5.936799 5.519330 2.285736 0.000000 4.115260 4.351124 5.704601 6.729524 6.371504 5.897732 4.591636 4.533474 3.640948 2.356637 6.496991 7.855987 7.267747 6.716035 2.734902 1.401259 0.000000 4.940463 5.310490 6.631024 7.514605 7.373112 6.979506 5.730760 5.690973 4.765132 3.611867 7.190768 8.733509 7.876307 7.800735 2.385699 2.379851 1.385218 0.000000 5.909772 6.314511 7.658281 8.535799 8.398280 7.957881 6.666423 6.537295 5.733057 4.494239 8.150921 9.736295 8.930310 8.752006 3.376202 3.371948 2.142634 1.083819 0.000000 4.871627 5.276837 6.473091 7.206675 7.261293 7.018141 5.923923 6.027828 4.948593 4.092118 6.900539 8.507723 7.335945 7.858800 1.386899 2.723546 2.408554 1.398712 2.158713 0.000000 5.789219 6.245276 7.390124 8.021650 8.199511 7.999195 6.947040 7.045675 5.990467 5.171980 7.666098 9.347352 8.035615 8.825361 2.136592 3.803172 3.405532 2.182109 2.530348 1.081162 0.000000 4.301178 3.404130 2.153669 2.691781 1.082734 2.153780 3.400500 4.308148 3.861681 5.248412 3.991614 2.616810 3.042710 2.482830 7.011433 6.092373 7.444791 8.418422 9.454008 8.240029 9.143950 0.000000 5.670185 6.044471 6.817692 7.166164 7.595975 7.668026 6.981694 7.318406 6.137117 5.867127 6.954768 8.511592 6.767503 8.466297 2.387154 4.665669 5.006512 4.236165 4.921908 2.841342 2.530128 8.346748 0.000000 4.072718 4.240079 4.734864 5.052372 5.454471 5.703332 5.291936 5.849965 4.552268 4.772170 5.087810 6.372268 4.564077 6.512793 2.397188 3.973225 4.919190 4.780716 5.764219 3.675431 4.028743 6.118362 2.305618 0.000000 8.408621 8.431279 8.018125 7.485988 8.389338 9.128182 9.489850 10.211473 9.154498 9.884275 7.778935 8.261415 6.179000 9.612141 7.888921 9.388462 10.441931 10.261660 11.180089 9.028125 9.042026 8.324722 6.563456 5.533649 0.000000 7.201682 7.246828 6.965023 6.561411 7.411936 8.085833 8.325738 9.031494 7.923610 8.587193 6.818514 7.484206 5.329387 8.641431 6.533510 8.047720 9.086527 8.908958 9.836190 7.687770 7.740869 7.485551 5.297570 4.175974 1.357834 0.000000 6.128336 6.084128 5.671152 5.250988 6.084789 6.837938 7.180551 7.955555 6.825029 7.626613 5.633941 6.142334 3.994749 7.404375 6.072103 7.260759 8.421440 8.443022 9.439941 7.349806 7.593987 6.120168 5.349117 3.685000 2.363793 1.386191 0.000000 6.419031 6.288873 5.643248 5.070367 5.938385 6.814424 7.355601 8.185288 7.107941 8.056204 5.588693 5.755329 3.726551 7.307554 6.898415 7.854470 9.090595 9.235787 10.261126 8.218873 8.538941 5.785535 6.373539 4.557884 2.597540 2.143737 1.082487 0.000000 4.897861 4.872038 4.664013 4.474444 5.193439 5.843493 6.006086 6.766808 5.549037 6.273450 4.808617 5.564541 3.417843 6.515653 4.745935 5.872223 7.036246 7.099298 8.114922 6.060982 6.399120 5.444485 4.344881 2.398785 3.624370 2.386860 1.389353 2.160168 0.000000 4.100437 3.957960 3.613051 3.463057 4.134973 4.870975 5.127729 5.967500 4.709774 5.585792 3.951562 4.555963 2.460477 5.577722 4.688785 5.391575 6.661244 6.930342 7.987606 6.060811 6.568665 4.390536 4.829734 2.607957 4.498887 3.368761 2.139334 2.481863 1.084075 0.000000 4.989641 5.109469 5.272972 5.295226 5.909253 6.345406 6.203893 6.835529 5.601052 6.027203 5.419359 6.522565 4.464535 7.072523 3.773603 5.340995 6.325456 6.156097 7.110341 4.981853 5.175563 6.361055 2.974643 1.407805 4.127547 2.769714 2.426457 3.414668 1.402537 2.159874 0.000000 6.292510 6.480485 6.669385 6.616315 7.290878 7.699080 7.529788 8.093373 6.930103 7.240208 6.662939 7.814585 5.706236 8.382021 4.524516 6.409179 7.227034 6.822265 7.668663 5.511860 5.431808 7.701696 2.934159 2.471906 3.635339 2.399488 2.803395 3.885712 2.422928 3.406899 1.401627 0.000000 7.289555 7.433144 7.406460 7.161202 7.948369 8.477246 8.495350 9.110312 7.987527 8.439443 7.277987 8.232986 6.065064 9.088835 5.899472 7.701152 8.581737 8.211724 9.059845 6.903619 6.798484 8.190838 4.280154 3.728605 2.364558 1.384399 2.422099 3.396492 2.783809 3.867789 2.416896 1.393265 0.000000 8.293918 8.473950 8.482900 8.222858 9.025905 9.528537 9.515282 10.091553 8.999311 9.382867 8.293208 9.285892 7.119414 10.122682 6.633812 8.567806 9.356813 8.865612 9.643130 7.510422 7.265312 9.263315 4.743383 4.624009 2.592279 2.137850 3.394084 4.275603 3.866337 4.950255 3.405429 2.159201 1.082755 0.000000 4.610576 4.788751 6.142049 7.233572 6.733916 6.155919 4.797448 4.605581 3.955652 2.568924 6.999597 8.253252 7.919173 6.917885 3.815166 2.155165 1.081708 2.170659 2.511656 3.408218 4.333434 7.816411 6.079812 5.952546 11.454477 10.102897 9.381227 9.999056 7.992078 7.538731 7.353783 8.293074 9.639525 10.429090 0.000000 4.532041 4.841390 5.626071 6.066200 6.398067 6.468696 5.790826 6.184072 4.936142 4.761821 5.927968 7.413203 5.758873 7.295129 1.512956 3.655053 4.247436 3.781473 4.664707 2.510409 2.696718 7.180337 1.222404 1.363792 6.519876 5.179686 4.915269 5.850921 3.709938 3.963316 2.503764 3.043641 4.431209 5.128009 5.326988 0.000000 3.221368 3.265656 3.770982 4.241805 4.484516 4.725849 4.324812 4.951747 3.585329 3.952947 4.382866 5.560699 3.912545 5.576318 2.402531 3.364217 4.505228 4.653667 5.706453 3.786341 4.381289 5.206368 3.142697 1.013984 6.027779 4.694193 3.922720 4.618616 2.536824 2.303803 2.076290 3.354675 4.491675 5.461063 5.466867 1.999759 0.000000 2.855579 2.998024 4.130780 5.019064 4.861833 4.685834 3.714707 4.066807 2.711220 2.320905 4.967529 6.286858 5.234590 5.585116 1.345401 1.315882 2.397181 2.772277 3.856089 2.399778 3.362195 5.844385 3.557129 2.658639 8.108632 6.761030 6.037522 6.702556 4.650275 4.290711 4.034631 5.095618 6.385736 7.254533 3.356767 2.442174 2.115622 0.000000 6.670278 6.930685 7.304053 7.357595 7.968972 8.260609 7.925444 8.396160 7.260097 7.370844 7.305663 8.611996 6.564362 8.963859 4.278394 6.381471 7.011026 6.414474 7.159881 5.041909 4.775847 8.477780 2.253194 2.720253 4.512626 3.381478 3.882292 4.964607 3.400519 4.298779 2.152015 1.078917 2.152026 2.496637 8.091994 2.773152 3.717485 5.105714 0.000000 C19H12F4N2O2 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 0 364.20911279999984 AuxInfo=1/0/N:2;3;4;5;6;7;9;15;16;17;18;20;26;27;29;31;32;33;36;11;12;13;25;24;38;10;23;1;8;14;19;21;22;28;30;34;35;37;39/rA:39nH0C0C0C0C0C0C0H0C0O0F0F0F0H0C0C0C0C0H0C0H0H0O0N0F0C0C0H0C0H0C0C0C0H0H0C0H0N0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:-2.0456,-.6867,-1.3212;-2.2266,-1.13,-.3522;-1.7238,-2.3869,-.0327;-.8691,-3.1318,-1.0216;-1.9653,-2.9627,1.2174;-2.7195,-2.2657,2.154;-3.2211,-.9993,1.8528;-3.8068,-.4376,2.5697;-2.9684,-.4443,.6058;-3.5479,.7847,.3195;-.9476,-2.6215,-2.2675;-1.2025,-4.4396,-1.0973;.4458,-3.0927,-.6648;-2.918,-2.7052,3.124;-.6874,2.8115,-.2022;-2.7532,1.8604,.0271;-3.4098,3.0567,-.2912;-2.6205,4.1616,-.5652;-3.0845,5.1089,-.8142;-1.2271,4.0486,-.5213;-.5661,4.8787,-.7282;-1.5731,-3.9458,1.4457;1.5695,3.5738,-.3567;1.186,1.3461,.0972;6.1654,-1.0409,.4563;4.9515,-.4393,.3651;3.8091,-1.2233,.4083;3.8928,-2.298,.5072;2.5707,-.6007,.3134;1.6713,-1.2057,.3309;2.4777,.7922,.1786;3.6481,1.5621,.1349;4.8897,.937,.2289;5.8059,1.5132,.1968;-4.4909,3.0894,-.3119;.8144,2.6324,-.1621;.4035,.7154,.2322;-1.4442,1.7331,.0706;3.5813,2.6332,.0237; 0.1954568 0.1498107 0.0945140 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= 1161 RedAO= T EigKep= 1.15D-06 NBF= 1161 NBsUse= 1156 1.00D-06 EigRej= 1.00D-06 NBFU= 1156 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= 1294 1294 1294 1294 1294 MxSgAt= 39 MxSgA2= 39. 1 Closed 1 1 1 -1391.03185152379 -1391.07743498029 -0.045583456502 -1391.12313922904 -0.045704248745 -1391.12377711924 -0.000637890204 -1391.12386563761 -0.000088518365 -1391.12387837260 -0.000012734992 -1391.12388026472 -0.000001892119 -1391.12388036117 -0.000000096457 -1391.12388039413 -0.000000032960 -1391.12388039424 -0.000000000102 -1391.12388039416 0.000000000072 -1391.12388039417 -0.000000000005 -1391.12388039 12 1.385458042588e+03 -8.057594447179e+03 2.882832478863e+03 Using DIIS extrapolation, IDIIS= 1040. NGot= 11324620800 LenX= 11321097884 LenY= 11319346232 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. PT16188S Wed Feb 8 07:19:50 2023 -24.72811 -24.72513 -24.72332 -24.68704 -19.19765 -19.10403 -14.36098 -14.34268 -10.44192 -10.29935 -10.28867 -10.26876 -10.25683 -10.24285 -10.22955 -10.22726 -10.21885 -10.21411 -10.21111 -10.21058 -10.21004 -10.20903 -10.20082 -10.18874 -10.18639 -10.18414 -10.18167 -1.32752 -1.24331 -1.23795 -1.22188 -1.12115 -1.05493 -0.98075 -0.95320 -0.90136 -0.86543 -0.83634 -0.82007 -0.80246 -0.77875 -0.76587 -0.75612 -0.72722 -0.69344 -0.67983 -0.65755 -0.64696 -0.63905 -0.62934 -0.60877 -0.60634 -0.59894 -0.58840 -0.56874 -0.55040 -0.54498 -0.53724 -0.53192 -0.51655 -0.51240 -0.49603 -0.48858 -0.48766 -0.48473 -0.47698 -0.46900 -0.46510 -0.45798 -0.45655 -0.44825 -0.44569 -0.44249 -0.43811 -0.43461 -0.43214 -0.42977 -0.42814 -0.41722 -0.40621 -0.40471 -0.40272 -0.39920 -0.39030 -0.38087 -0.36433 -0.35645 -0.32214 -0.32077 -0.31629 -0.29631 -0.28907 -0.27238 -0.26977 -0.26457 -0.22918 -0.08054 -0.05897 -0.05173 -0.03801 -0.02766 -0.01232 -0.00898 -0.00279 0.00747 0.01444 0.01703 0.02073 0.02584 0.03143 0.03401 0.03636 0.03976 0.04193 0.04265 0.04877 0.05678 0.05981 0.06051 0.06440 0.06820 0.07449 0.07750 0.08170 0.08681 0.08839 0.09088 0.09306 0.09569 0.09872 0.10260 0.10503 0.10584 0.11203 0.11296 0.11545 0.12235 0.12631 0.12970 0.13333 0.13531 0.13609 0.13824 0.14012 0.14324 0.14421 0.14739 0.14854 0.14974 0.15395 0.15623 0.16072 0.16560 0.16888 0.17035 0.17422 0.17521 0.17714 0.18021 0.18204 0.18369 0.18680 0.18878 0.19079 0.19394 0.19649 0.19958 0.20289 0.20422 0.20495 0.20828 0.21123 0.21242 0.21349 0.21534 0.21835 0.22022 0.22184 0.22551 0.22772 0.23052 0.23367 0.23676 0.24025 0.24186 0.24366 0.24655 0.24784 0.25072 0.25219 0.25576 0.25821 0.25901 0.26264 0.26909 0.27300 0.27565 0.27956 0.28371 0.28576 0.29047 0.29225 0.29792 0.29966 0.30087 0.30390 0.30854 0.31257 0.31563 0.31741 0.32203 0.32660 0.32874 0.33107 0.33448 0.33806 0.34245 0.34267 0.34546 0.34873 0.35302 0.35395 0.35590 0.35904 0.36440 0.36459 0.36827 0.37048 0.37289 0.37499 0.38121 0.38231 0.38383 0.38969 0.39212 0.39385 0.39647 0.39934 0.40206 0.40463 0.41102 0.41393 0.41723 0.42231 0.42463 0.43070 0.43266 0.43833 0.44003 0.44116 0.44581 0.44950 0.45415 0.45743 0.46364 0.46583 0.47067 0.47477 0.47637 0.48162 0.48549 0.48712 0.49400 0.49689 0.50015 0.50045 0.50761 0.50900 0.51758 0.51806 0.52227 0.52734 0.53222 0.53356 0.53567 0.53793 0.54040 0.54742 0.54937 0.55122 0.55223 0.55254 0.55847 0.56370 0.56569 0.56779 0.56948 0.57277 0.57683 0.58106 0.58676 0.58976 0.59085 0.59686 0.60087 0.60527 0.60767 0.61018 0.61436 0.61647 0.62315 0.62816 0.63147 0.63705 0.63885 0.64110 0.64390 0.64750 0.65055 0.65771 0.66048 0.66123 0.66858 0.67191 0.67513 0.67782 0.68181 0.68409 0.68969 0.69556 0.69911 0.70239 0.70627 0.70932 0.71238 0.71738 0.72131 0.72519 0.73278 0.73551 0.74396 0.74615 0.74757 0.75095 0.76005 0.76461 0.76727 0.76921 0.77891 0.78100 0.78610 0.78749 0.79067 0.79446 0.79793 0.79969 0.80760 0.80896 0.81105 0.81960 0.82015 0.82727 0.83247 0.83665 0.84478 0.85257 0.86096 0.86428 0.86762 0.87252 0.87721 0.87757 0.88747 0.89345 0.89628 0.90356 0.90871 0.91144 0.92062 0.92697 0.93256 0.93436 0.94803 0.95184 0.95326 0.96046 0.96514 0.97064 0.98207 0.98779 0.99363 1.00071 1.00456 1.00728 1.01577 1.01654 1.02588 1.03566 1.04069 1.05280 1.05532 1.06269 1.06805 1.07725 1.08031 1.08553 1.08936 1.09356 1.09708 1.10509 1.10882 1.11429 1.12352 1.12925 1.13714 1.14110 1.14517 1.15472 1.15711 1.16103 1.16640 1.16969 1.17237 1.17657 1.18009 1.18540 1.19002 1.19153 1.19639 1.20037 1.20707 1.21032 1.21413 1.21782 1.22071 1.22609 1.22909 1.23245 1.23647 1.23894 1.24013 1.24521 1.24863 1.25664 1.25833 1.25946 1.26652 1.27012 1.27253 1.27714 1.27786 1.28311 1.28920 1.29288 1.29683 1.29746 1.30316 1.30434 1.30841 1.31304 1.31565 1.32131 1.32311 1.33142 1.33391 1.33977 1.34185 1.34707 1.35031 1.35236 1.35474 1.35889 1.36096 1.36293 1.36635 1.37036 1.37801 1.38271 1.38844 1.39061 1.39420 1.39859 1.40404 1.40610 1.40945 1.41347 1.41709 1.42296 1.42875 1.43233 1.43675 1.44446 1.44879 1.45323 1.45533 1.46546 1.46783 1.46952 1.47574 1.47888 1.48400 1.49077 1.50098 1.50297 1.50456 1.50909 1.51311 1.51913 1.52231 1.52436 1.53011 1.53488 1.54308 1.54611 1.55647 1.56151 1.56679 1.57174 1.57758 1.58127 1.59190 1.59529 1.59917 1.60816 1.61120 1.61708 1.62848 1.63509 1.63908 1.65064 1.65356 1.65552 1.66736 1.67055 1.67809 1.68324 1.69079 1.69757 1.71170 1.71601 1.71938 1.72211 1.72850 1.73471 1.74352 1.75185 1.76105 1.77056 1.77510 1.78628 1.79507 1.80149 1.81120 1.82443 1.82872 1.84030 1.85125 1.85395 1.85855 1.87278 1.87997 1.88489 1.88947 1.90030 1.90258 1.90832 1.91175 1.91865 1.92407 1.93524 1.94641 1.95223 1.95931 1.96865 1.97586 1.98003 1.98915 1.99285 2.00043 2.00963 2.01446 2.01952 2.02415 2.03087 2.04190 2.04485 2.05640 2.05881 2.07311 2.07997 2.08983 2.09948 2.10767 2.11223 2.12905 2.15009 2.15996 2.16124 2.17180 2.18075 2.19344 2.20376 2.21809 2.22824 2.23316 2.23469 2.24954 2.27196 2.27939 2.29672 2.32162 2.32701 2.33636 2.35150 2.36243 2.37580 2.38750 2.39680 2.41066 2.41817 2.42064 2.42704 2.43946 2.44852 2.45425 2.45852 2.46437 2.46926 2.49855 2.50722 2.52356 2.53323 2.54896 2.56319 2.56867 2.57166 2.57750 2.58651 2.59533 2.59997 2.60913 2.61645 2.63774 2.64892 2.65302 2.66426 2.68479 2.69265 2.71015 2.72068 2.72549 2.73800 2.74035 2.75587 2.75911 2.77264 2.78374 2.78529 2.79397 2.79940 2.80342 2.80572 2.81365 2.82091 2.82262 2.82558 2.83158 2.83753 2.84671 2.85145 2.85747 2.86455 2.86963 2.87688 2.88700 2.88912 2.89315 2.89774 2.89805 2.90369 2.90937 2.91332 2.91781 2.93196 2.93991 2.94278 2.95372 2.96029 2.96942 2.97936 2.98792 2.99687 2.99976 3.01201 3.02822 3.03959 3.04572 3.05860 3.06617 3.07739 3.07803 3.08399 3.08863 3.10342 3.11178 3.11603 3.12203 3.13843 3.14855 3.16015 3.16895 3.17271 3.17513 3.19480 3.20719 3.20919 3.21824 3.22160 3.22779 3.23269 3.23771 3.24807 3.25605 3.26256 3.27224 3.28390 3.29233 3.29511 3.29928 3.31197 3.31498 3.31931 3.33019 3.33363 3.33722 3.34535 3.35044 3.36493 3.37065 3.37633 3.38564 3.39062 3.39925 3.40272 3.41025 3.41174 3.42319 3.42683 3.43164 3.43522 3.44950 3.45405 3.46272 3.47062 3.48900 3.49594 3.50129 3.51354 3.52081 3.53121 3.54451 3.55429 3.56738 3.57390 3.57642 3.58141 3.59018 3.59410 3.60351 3.61503 3.61613 3.62729 3.63744 3.64464 3.65421 3.65911 3.66089 3.66747 3.67271 3.67833 3.70054 3.70552 3.71238 3.72648 3.73404 3.74852 3.75756 3.76972 3.77633 3.78131 3.79429 3.79716 3.80907 3.81487 3.82357 3.83279 3.84919 3.85670 3.87019 3.89368 3.91642 3.92529 3.93915 3.94651 3.97137 3.98667 3.99326 3.99580 4.01666 4.02252 4.05735 4.06636 4.08925 4.11276 4.11485 4.12724 4.13571 4.15749 4.16360 4.17368 4.17559 4.18494 4.20010 4.20415 4.21750 4.22844 4.23499 4.24481 4.25121 4.25996 4.27167 4.27269 4.28740 4.30358 4.31093 4.31486 4.31858 4.32145 4.32912 4.33301 4.33886 4.35046 4.35478 4.36559 4.37762 4.38386 4.39215 4.40968 4.41319 4.41572 4.42327 4.42745 4.45447 4.45803 4.46334 4.47080 4.48051 4.48422 4.51205 4.51799 4.53347 4.54439 4.54831 4.54959 4.56267 4.56504 4.58670 4.60656 4.62421 4.63977 4.65319 4.66056 4.66601 4.67177 4.67650 4.69422 4.69892 4.70646 4.70947 4.71814 4.72501 4.73097 4.73549 4.73774 4.74794 4.75698 4.77365 4.78123 4.78423 4.79966 4.80331 4.81746 4.83248 4.83464 4.84675 4.87000 4.87979 4.90526 4.92192 4.94557 4.95129 4.96419 4.97254 4.98736 4.99261 5.00551 5.01382 5.07391 5.08929 5.11587 5.14244 5.15038 5.16101 5.17309 5.18884 5.20199 5.23484 5.23846 5.25907 5.31155 5.33898 5.34662 5.37251 5.40391 5.41520 5.42808 5.48687 5.51709 5.53464 5.55454 5.58934 5.65401 5.65715 5.68641 5.70018 5.73045 5.79472 5.81194 5.82814 5.84539 5.87576 5.89004 5.93093 5.95210 5.96367 5.97840 5.98443 6.02149 6.08058 6.10754 6.13423 6.15041 6.24943 6.32117 6.32539 6.40660 6.42029 6.45089 6.47578 6.48138 6.50335 6.52381 6.52890 6.53572 6.53985 6.58463 6.59028 6.59178 6.60926 6.61195 6.61944 6.63457 6.63704 6.64662 6.66514 6.68811 6.71096 6.72941 6.74633 6.75323 6.75727 6.76194 6.79339 6.82290 6.83395 6.84237 6.84304 6.85363 6.85928 6.87629 6.89247 6.91855 6.93073 6.95374 7.04938 7.05803 7.07460 7.09550 7.09977 7.10169 7.10426 7.12254 7.12625 7.12974 7.14854 7.15438 7.16611 7.17297 7.21555 7.23120 7.24050 7.26355 7.27054 7.27979 7.29153 7.29679 7.31188 7.31957 7.33168 7.33647 7.33769 7.34946 7.35931 7.36920 7.37053 7.39340 7.40233 7.40613 7.41176 7.42463 7.43162 7.44344 7.45916 7.47390 7.47807 7.49765 7.50076 7.51110 7.51931 7.54934 7.56163 7.57587 7.58556 7.60385 7.60960 7.61255 7.62186 7.62870 7.64015 7.66757 7.67455 7.68835 7.70566 7.71218 7.73506 7.76370 7.84327 7.84873 7.87143 7.88077 7.90832 7.92077 7.93605 7.94224 7.94489 7.95143 7.95676 8.00466 8.01959 8.03483 8.05865 8.06355 8.09792 8.10131 8.10688 8.13843 8.21623 8.26390 8.27789 8.28330 8.30156 8.33216 8.33384 8.34488 8.40949 8.44256 8.46521 8.48524 8.51488 8.54711 8.67355 8.72645 8.86046 8.89554 8.98289 9.09862 9.12134 9.37642 9.38269 10.34146 10.44498 10.60761 10.60961 10.71929 10.84205 11.16231 11.25568 11.41595 11.55472 14.40723 14.43052 14.48847 14.51740 14.60094 14.68340 14.88036 15.04428 15.10308 15.12418 19.28574 19.29249 19.31150 19.33748 19.34166 19.35218 19.35423 19.35605 19.36444 19.37471 19.38928 19.40355 19.43881 19.45946 19.46302 19.48944 19.61811 19.74797 19.84526 19.86087 24.02186 24.02862 24.26951 24.42511 24.93364 24.94937 24.96964 24.98427 25.00096 25.14856 25.22012 25.37895 25.38204 25.39406 25.41487 25.42647 25.68639 25.78799 25.81228 36.14787 36.36546 50.28428 50.46653 66.96439 67.03022 67.03258 67.04899 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 H C C C C C C H C O F F F H C C C C H C H H O N F C C H C H C C C H H C H N H 0.167366 -0.597377 0.631750 1.569589 -0.527295 -0.028370 -0.122708 0.147361 0.417709 -0.760768 -0.511931 -0.463749 -0.439667 0.141117 0.490969 0.673003 -0.356748 -0.071801 0.142370 0.124282 0.169167 0.146576 -0.838260 -0.860302 -0.535987 0.177334 -0.107876 0.148345 -0.075538 0.202497 0.425855 0.179835 -0.201399 0.146556 0.145170 0.663763 0.338902 -0.933268 0.183527 -0.00000 -5.6653 0.5857 1.8534 5.9894 -157.2652 -150.2799 -150.9139 -7.9775 -3.8934 -8.6051 -4.4455 2.5398 1.9058 -7.9775 -3.8934 -8.6051 -84.2968 -26.9196 -8.2820 -51.9848 39.0496 -4.4226 -17.2621 -30.2906 9.5285 23.4034 -7976.1510 -5328.7927 -825.8824 122.7191 -52.1287 -317.4519 -74.9377 -36.1996 48.4335 -2029.1643 -1368.8044 -1048.2007 -5.0202 26.3791 27.5492 (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A) (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(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-PIMPOLLAR MLEIFERM 2023-02-08T00:00:00.000 0 Single Point CONF2 gas 0 1 Version=EM64L-G16RevC.01 State=1-A HF=-1391.1238804 RMSD=4.041e-09 Dipole=2.2567009,0.1077664,0.6696531 Quadrupole=-1.5294311,0.9526023,0.5768288,-6.122685,2.4107853,6.9026523 PG=C01 [X(C19H12F4N2O2)] 0 1.9553155554 0.8806494537 -1.4000900974 0 2.0985333874 1.3953837051 -0.4605982137 0 1.4391490717 2.5895100839 -0.1885694223 0 0.468153489 3.15987187 -1.1861893802 0 1.6313270112 3.2585471333 1.02311045 0 2.4950333538 2.7193397868 1.9692199187 0 3.1549500488 1.5166559476 1.7159750119 0 3.8281768361 1.0771981557 2.4413668105 0 2.9490163443 0.8669332366 0.5067560358 0 3.681422164 -0.287621965 0.2640883439 0 0.5842320643 2.5984880137 -2.4069592733 0 0.6206398788 4.4944649597 -1.3373780219 0 -0.8204541946 2.9652174103 -0.7869172648 0 2.6560548569 3.2327562383 2.909394313 0 1.1078562588 -2.7021128154 -0.0660445957 0 3.0318617926 -1.4736432069 0.0507968242 0 3.8355488192 -2.5871873503 -0.2278301309 0 3.1956704746 -3.8003906841 -0.4215395223 0 3.7766800412 -4.6894834895 -0.6374240568 0 1.8011735555 -3.8716815232 -0.3397408738 0 1.2530735516 -4.7923554827 -0.4841621837 0 1.1160544235 4.191445938 1.2141778775 0 -1.0289918475 -3.7652737513 -0.1115631281 0 -0.9378092991 -1.4852131466 0.2184145388 0 -6.182913402 0.2334825364 0.6136903752 0 -4.9017191274 -0.2052041276 0.5146461438 0 -3.874495835 0.7250260695 0.4828819662 0 -4.0996367302 1.7827638154 0.5306353106 0 -2.5662306349 0.2686885435 0.3804072164 0 -1.7562320131 0.9880320762 0.339584675 0 -2.2899471325 -1.1046857778 0.3124251669 0 -3.3468506769 -2.0247533242 0.3438549047 0 -4.6586150903 -1.5663306374 0.4453970374 0 -5.4894215715 -2.2602166922 0.4707172309 0 4.9103094051 -2.476783611 -0.2806867448 0 -0.4029421968 -2.7226573019 0.0120702698 0 -0.2442842083 -0.7497041981 0.2972375635 0 1.7190989125 -1.5195302573 0.128854137 0 -3.1392341351 -3.0818262839 0.2842381067