Gaussian 16 GINC-DEPAZ23 ALCAMI Optimization Pyridalyl CONF66 gas EM64L-G16RevC.01 2-Sep-2024 Gaussian 16 3-Jul-2019 EM64L-G16RevC.01 43 43 124 124 754 (5D, 7F) 6-311+G(d,p) 123 123 C1[X(C18H14Cl4F3NO3)] C1[X(C18H14Cl4F3NO3)] RB3LYP 6-311+G(d,p) FOpt #P B3LYP 6-311+G(d,p) EmpiricalDispersion=gd3 opt freq 477.0047095999997 0 1 AuxInfo=1/0/N:12;13;14;15;16;17;18;19;20;21;22;23;24;25;26;27;28;29;1;2;3;4;5;6;7;11;8;9;10;30;31;32;33;34;35;36;37;38;39;40;41;42;43/rA:43nCl0Cl0Cl0Cl0F0F0F0O0O0O0N0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:-2.0772,1.6282,-3.0041;-1.755,4.1084,1.7622;5.7156,-2.147,.1516;3.9092,-2.1986,-2.1044;1.6667,-2.5627,2.0173;.4096,-4.262,1.6138;1.5258,-3.3584,.0174;-3.0121,3.441,-.7687;-3.5721,.1694,.2636;1.7619,.8973,.2513;-1.8265,-.4809,1.5903;-4.7513,2.2283,.5453;-4.2481,2.7311,-.7997;-3.9113,1.1629,1.2275;-1.8627,2.7719,-.566;-1.2976,1.9005,-1.4887;-1.1237,3.0056,.5991;-2.5029,-.5908,.4688;.5963,1.485,-.0772;-.0922,1.2505,-1.258;.0802,2.385,.8508;-2.1523,-1.4885,-.5503;-.3288,-2.1772,.8395;-1.0582,-2.2914,-.3476;-.7605,-1.2494,1.7687;.8207,-3.0855,1.1247;2.3418,.0059,-.6708;3.5688,-.5572,-.0299;4.3051,-1.5083,-.5804;-4.8623,3.0608,1.2437;-5.7584,1.8413,.3626;-4.963,3.4574,-1.1856;-4.2122,1.9089,-1.5147;-4.4772,.7019,2.0424;-3.0141,1.5846,1.6749;.2792,.5779,-2.0167;.616,2.5809,1.7689;-2.7309,-1.5338,-1.462;-.7658,-2.9996,-1.112;-.2366,-1.1111,2.7068;2.5968,.5247,-1.6051;1.6436,-.7989,-.9312;3.8679,-.1548,.9292; g16 /usr/local/gaussian/gaussian16/g16/l1.exe "/temporal/alcami/opt-b3lyp-pople.com-6470765/Gau-229556.inp" -scrdir="/temporal/alcami/opt-b3lyp-pople.com-6470765/" chk=opt-b3lyp-pople.chk #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 Pyridalyl CONF66 gas 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 35 35 35 35 19 19 19 16 16 16 14 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 1 1 1 1 1 1 1 1 1 1 1 1 1 1 34.9688527 34.9688527 34.9688527 34.9688527 18.9984033 18.9984033 18.9984033 15.9949146 15.9949146 15.9949146 14.0030740 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 3 3 3 3 1 1 1 0 0 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 (Enter /usr/local/gaussian/gaussian16/g16/l101.exe) Berny optimization. R1 R2 R3 R4 R5 R6 R7 R8 R9 R10 R11 R12 R13 R14 R15 R16 R17 R18 R19 R20 R21 R22 R23 R24 R25 R26 R27 R28 R29 R30 R31 R32 R33 R34 R35 R36 R37 R38 R39 R40 R41 R42 R43 R44 1 2 3 4 5 6 7 8 8 9 9 10 10 11 11 12 12 12 12 13 13 14 14 15 15 16 17 18 19 19 20 21 22 22 23 23 23 24 25 27 27 27 28 28 16 17 29 29 26 26 26 13 15 14 18 19 27 18 25 13 14 30 31 32 33 34 35 16 17 20 21 22 20 21 36 37 24 38 24 25 26 39 40 28 41 42 29 43 1.7258 1.7227 1.7127 1.7193 1.3363 1.3388 1.3407 1.4257 1.3454 1.4252 1.3279 1.3461 1.4076 1.3143 1.3261 1.5215 1.5186 1.0923 1.0943 1.0897 1.0902 1.094 1.0876 1.3893 1.3994 1.3888 1.3776 1.4025 1.3868 1.392 1.0798 1.081 1.3722 1.0808 1.398 1.3823 1.4926 1.0823 1.0833 1.4944 1.0986 1.0968 1.3227 1.0822 estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2 A1 A2 A3 A4 A5 A6 A7 A8 A9 A10 A11 A12 A13 A14 A15 A16 A17 A18 A19 A20 A21 A22 A23 A24 A25 A26 A27 A28 A29 A30 A31 A32 A33 A34 A35 A36 A37 A38 A39 A40 A41 A42 A43 A44 A45 A46 A47 A48 A49 A50 A51 A52 A53 A54 A55 A56 A57 A58 A59 A60 A61 A62 A63 A64 A65 A66 A67 A68 A69 A70 A71 A72 A73 13 14 19 18 13 13 13 14 14 30 8 8 8 12 12 32 9 9 9 12 12 34 8 8 16 1 1 15 2 2 15 9 9 11 10 10 20 16 16 19 17 17 19 18 18 24 24 24 25 22 22 23 11 11 23 5 5 5 6 6 7 10 10 10 28 28 41 27 27 29 3 3 4 8 9 10 11 12 12 12 12 12 12 13 13 13 13 13 13 14 14 14 14 14 14 15 15 15 16 16 16 17 17 17 18 18 18 19 19 19 20 20 20 21 21 21 22 22 22 23 23 23 24 24 24 25 25 25 26 26 26 26 26 26 27 27 27 27 27 27 28 28 28 29 29 29 15 18 27 25 14 30 31 30 31 31 12 32 33 32 33 33 12 34 35 34 35 35 16 17 17 15 20 20 15 21 21 11 22 22 20 21 21 19 36 36 19 37 37 24 38 38 25 26 26 23 39 39 23 40 40 6 7 23 7 23 23 28 41 42 41 42 42 29 43 43 4 28 28 119.7579 119.0921 118.2569 118.6835 116.4902 110.2987 105.8811 107.6858 109.6282 106.4233 115.5948 104.1568 111.1731 108.445 109.9647 106.9787 108.4763 109.4577 110.6223 110.125 111.6578 106.4819 124.0157 119.5735 116.2926 119.8957 117.6561 122.4274 118.3937 119.0325 122.5732 119.889 117.0915 123.0195 124.322 116.148 119.5296 119.5532 118.247 122.1991 119.5718 120.447 119.9739 117.8074 120.3979 121.7942 117.5634 120.9526 121.3738 119.5783 119.6092 120.8107 123.339 115.5512 121.109 107.1077 107.3599 112.1517 106.5215 111.5966 111.7824 107.2157 110.7084 110.9692 110.6161 110.3707 106.9973 123.3296 117.8312 118.837 114.755 123.2787 121.9662 estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2 D1 D2 D3 D4 D5 D6 D7 D8 D9 D10 D11 D12 D13 D14 D15 D16 D17 D18 D19 D20 D21 D22 D23 D24 D25 D26 D27 D28 D29 D30 D31 D32 D33 D34 D35 D36 D37 D38 D39 D40 D41 D42 D43 D44 D45 D46 D47 D48 D49 D50 D51 D52 D53 D54 D55 D56 D57 D58 D59 D60 D61 D62 D63 D64 D65 D66 D67 D68 D69 D70 D71 D72 D73 D74 D75 D76 D77 D78 D79 D80 D81 D82 D83 D84 D85 D86 D87 D88 D89 D90 D91 D92 D93 15 15 15 13 13 18 18 18 14 14 27 27 19 19 19 25 25 18 18 14 14 14 30 30 30 31 31 31 13 13 13 30 30 30 31 31 31 8 8 17 17 8 8 16 16 1 1 15 15 2 2 15 15 9 9 11 11 10 10 21 21 10 10 20 20 18 18 38 38 25 25 26 26 24 24 26 26 24 24 24 25 25 25 10 10 41 41 42 42 27 27 43 43 8 8 8 8 8 9 9 9 9 9 10 10 10 10 10 11 11 11 11 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 15 15 15 15 15 15 15 15 16 16 16 16 17 17 17 17 18 18 18 18 19 19 19 19 19 19 19 19 22 22 22 22 23 23 23 23 23 23 23 23 23 23 23 23 23 23 27 27 27 27 27 27 28 28 28 28 13 13 13 15 15 14 14 14 18 18 19 19 27 27 27 18 18 25 25 13 13 13 13 13 13 13 13 13 14 14 14 14 14 14 14 14 14 16 16 16 16 17 17 17 17 20 20 20 20 21 21 21 21 22 22 22 22 20 20 20 20 21 21 21 21 24 24 24 24 24 24 24 24 25 25 25 25 26 26 26 26 26 26 28 28 28 28 28 28 29 29 29 29 12 32 33 16 17 12 34 35 11 22 20 21 28 41 42 9 22 23 40 8 32 33 8 32 33 8 32 33 9 34 35 9 34 35 9 34 35 1 20 1 20 2 21 2 21 19 36 19 36 19 37 19 37 24 38 24 38 16 36 16 36 17 37 17 37 23 39 23 39 22 39 22 39 11 40 11 40 5 6 7 5 6 7 29 43 29 43 29 43 3 4 3 4 72.9617 -168.1809 -53.3043 69.5193 -114.5856 156.9047 -82.9106 34.1187 4.5 -175.54 1.4096 -178.3489 -176.7362 62.519 -56.1379 -179.8311 0.2115 -0.8032 179.5041 -65.6601 177.8758 61.2172 57.45 -59.0141 -175.6727 172.1993 55.7352 -60.9235 -46.2021 -165.9704 75.9547 -170.6567 69.575 -48.4998 73.9528 -45.8155 -163.8904 0.1419 178.4415 -175.8763 2.4234 2.2583 -178.0292 178.4636 -1.8238 177.2796 -2.413 -1.0562 179.2512 179.5688 0.5501 -0.142 -179.1607 -179.3166 0.9172 0.6421 -179.1242 179.2207 -1.0993 -1.0285 178.6515 -178.6238 0.3996 1.6054 -179.3712 -0.9146 179.5713 178.8482 -0.6659 0.3842 179.8923 176.6198 -3.8721 0.5062 -179.8176 -175.7126 3.9636 157.8242 -81.9936 37.1864 -26.0846 94.0976 -146.7224 174.7214 -5.8259 -64.4754 114.9773 53.7441 -126.8032 179.6769 -0.2217 0.2294 -179.6692 estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|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 783 A 754 A 1224 783 3754.3628584159 43 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= 754 RedAO= T EigKep= 1.11D-06 NBF= 754 NBsUse= 751 1.00D-06 EigRej= 6.71D-07 NBFU= 751 Berny optimization. local minimum Step number 21 out of a maximum of 220 All quantities printed in internal units (Hartrees-Bohrs-Radians) 0.00174 0.00477 0.00613 0.00841 0.01111 0.01419 0.01680 0.01772 0.01796 0.02166 0.02235 0.02242 0.02251 0.02260 0.02269 0.02291 0.02308 0.02343 0.02359 0.02414 0.02492 0.02528 0.02639 0.02985 0.03194 0.03339 0.03480 0.04293 0.04985 0.05161 0.05618 0.05643 0.05847 0.06946 0.07178 0.07590 0.08488 0.08831 0.10814 0.11045 0.11354 0.11493 0.12121 0.12631 0.13625 0.14390 0.15597 0.15841 0.15977 0.16002 0.16006 0.16026 0.16031 0.16384 0.21991 0.22146 0.22356 0.22490 0.23007 0.23483 0.23562 0.23982 0.24448 0.24553 0.24858 0.24933 0.25004 0.25015 0.25062 0.25070 0.25237 0.25419 0.25755 0.26284 0.29230 0.30298 0.31252 0.31958 0.33048 0.33546 0.33678 0.33767 0.33845 0.34142 0.34174 0.34268 0.34384 0.34445 0.34622 0.34959 0.35131 0.35612 0.35726 0.35754 0.35888 0.35905 0.36203 0.36674 0.40306 0.40924 0.42380 0.43297 0.43735 0.44472 0.44853 0.47071 0.47818 0.48111 0.48851 0.49318 0.51317 0.53024 0.53795 0.56222 0.56954 0.57672 0.57908 0.59402 0.61029 0.61867 0.65594 1.32731 3.87265 -2.56629794e-08 R1 R2 R3 R4 R5 R6 R7 R8 R9 R10 R11 R12 R13 R14 R15 R16 R17 R18 R19 R20 R21 R22 R23 R24 R25 R26 R27 R28 R29 R30 R31 R32 R33 R34 R35 R36 R37 R38 R39 R40 R41 R42 R43 R44 A1 A2 A3 A4 A5 A6 A7 A8 A9 A10 A11 A12 A13 A14 A15 A16 A17 A18 A19 A20 A21 A22 A23 A24 A25 A26 A27 A28 A29 A30 A31 A32 A33 A34 A35 A36 A37 A38 A39 A40 A41 A42 A43 A44 A45 A46 A47 A48 A49 A50 A51 A52 A53 A54 A55 A56 A57 A58 A59 A60 A61 A62 A63 A64 A65 A66 A67 A68 A69 A70 A71 A72 A73 D1 D2 D3 D4 D5 D6 D7 D8 D9 D10 D11 D12 D13 D14 D15 D16 D17 D18 D19 D20 D21 D22 D23 D24 D25 D26 D27 D28 D29 D30 D31 D32 D33 D34 D35 D36 D37 D38 D39 D40 D41 D42 D43 D44 D45 D46 D47 D48 D49 D50 D51 D52 D53 D54 D55 D56 D57 D58 D59 D60 D61 D62 D63 D64 D65 D66 D67 D68 D69 D70 D71 D72 D73 D74 D75 D76 D77 D78 D79 D80 D81 D82 D83 D84 D85 D86 D87 D88 D89 D90 D91 D92 D93 3.31791 3.31098 3.28849 3.30040 2.55352 2.56451 2.57016 2.73607 2.57228 2.73568 2.53764 2.57547 2.69653 2.50566 2.52833 2.88661 2.87965 2.06683 2.07146 2.05986 2.05869 2.06608 2.05236 2.64347 2.66174 2.63532 2.61349 2.66304 2.63172 2.63888 2.03930 2.04285 2.60138 2.04364 2.65406 2.62177 2.82689 2.04755 2.04851 2.83076 2.07485 2.07197 2.50694 2.04577 2.08260 2.07747 2.06272 2.05816 2.01079 1.92042 1.85744 1.88644 1.91007 1.87431 2.00020 1.80703 1.92309 1.91389 1.92178 1.89229 1.88063 1.89488 1.90743 1.94199 1.95969 1.87825 2.16695 2.08655 2.02695 2.09737 2.04675 2.13891 2.07426 2.06995 2.13880 2.09474 2.03080 2.15761 2.17144 2.01938 2.09233 2.08194 2.06963 2.13161 2.08593 2.10950 2.08749 2.05740 2.08786 2.13782 2.06697 2.09843 2.11685 2.07730 2.10615 2.09966 2.14887 2.03016 2.10414 1.86467 1.86966 1.96277 1.85136 1.95999 1.94861 1.86815 1.92322 1.92830 1.94070 1.92249 1.88154 2.15646 2.04478 2.08162 2.00423 2.14807 2.13086 1.31743 -2.88196 -0.86137 1.20413 -2.02003 2.69190 -1.48609 0.55797 0.09885 -3.03383 0.06362 -3.08701 -3.08959 1.08110 -0.99624 -3.12663 0.00537 -0.00990 3.12575 -1.18394 3.07628 0.99556 0.95355 -1.06941 3.13304 2.97897 0.95600 -1.12473 -0.84782 -2.92317 1.25351 -3.00340 1.20444 -0.90206 1.24373 -0.83162 -2.93812 -0.00535 3.11687 -3.06694 0.05528 0.05275 -3.10953 3.11825 -0.04403 3.09934 -0.03949 -0.02340 3.12094 3.12197 0.00527 0.00101 -3.11569 3.13639 0.00941 0.00406 -3.12292 3.10956 -0.03489 -0.02264 3.11610 -3.09956 0.01746 0.03343 -3.13274 -0.00904 -3.13686 3.11750 -0.01033 0.00496 3.13284 3.10093 -0.05438 0.00484 -3.13057 -3.09063 0.05715 2.84708 -1.33210 0.74478 -0.34146 1.76254 -2.44377 -3.12996 0.03919 -1.02859 2.14057 1.05615 -2.05788 -3.11922 0.01495 -0.00573 3.12844 0.00000 0.00000 0.00001 0.00001 0.00000 0.00000 0.00001 -0.00000 0.00002 -0.00002 0.00000 0.00001 -0.00000 0.00000 -0.00000 0.00001 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00001 0.00001 0.00001 0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00001 0.00000 0.00000 0.00001 0.00000 0.00001 0.00001 0.00000 0.00004 -0.00000 0.00002 -0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00003 -0.00001 -0.00001 -0.00001 -0.00001 0.00000 -0.00002 0.00001 0.00000 0.00000 0.00000 -0.00000 0.00001 -0.00000 -0.00000 0.00001 -0.00000 -0.00000 -0.00000 0.00000 0.00000 -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 0.00001 -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 -0.00001 -0.00000 -0.00000 0.00000 0.00001 0.00002 -0.00001 -0.00001 -0.00001 -0.00001 -0.00001 0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00001 0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00001 0.00001 0.00000 0.00000 0.00001 0.00000 -0.00000 0.00001 0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 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 0.00001 0.00001 -0.00001 -0.00001 -0.00000 -0.00000 -0.00001 -0.00001 0.00001 -0.00001 0.00000 -0.00001 0.00001 -0.00000 0.00001 0.00002 0.00002 -0.00000 -0.00000 -0.00000 -0.00004 -0.00001 -0.00001 -0.00003 -0.00002 0.00002 -0.00001 -0.00001 0.00000 0.00000 0.00001 0.00000 0.00000 0.00000 0.00000 0.00000 0.00004 0.00001 -0.00001 -0.00000 -0.00001 0.00001 0.00000 0.00000 0.00001 -0.00000 -0.00002 0.00001 0.00001 0.00000 0.00000 -0.00001 0.00001 0.00001 0.00001 0.00000 0.00004 0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00001 0.00001 0.00000 -0.00003 -0.00000 0.00001 -0.00001 0.00000 0.00001 -0.00001 0.00002 -0.00000 0.00000 -0.00001 0.00001 -0.00002 0.00002 -0.00001 -0.00001 0.00000 -0.00000 0.00000 -0.00001 0.00001 -0.00000 -0.00002 0.00002 -0.00000 -0.00000 0.00002 -0.00002 0.00002 -0.00001 -0.00001 0.00001 -0.00001 0.00000 0.00000 0.00002 -0.00002 0.00001 0.00003 -0.00004 -0.00000 -0.00001 0.00001 -0.00000 0.00001 -0.00001 -0.00002 -0.00000 -0.00002 0.00002 0.00001 0.00001 0.00000 0.00000 0.00000 0.00002 -0.00000 -0.00003 0.00001 -0.00001 -0.00000 0.00002 -0.00001 -0.00001 -0.00003 -0.00003 -0.00004 0.00002 -0.00002 -0.00016 -0.00017 -0.00019 0.00032 0.00035 0.00037 0.00033 -0.00032 -0.00035 -0.00032 -0.00000 -0.00004 0.00003 -0.00003 0.00003 0.00002 0.00002 0.00004 0.00004 0.00004 0.00001 0.00001 0.00001 -0.00006 -0.00007 -0.00004 -0.00007 -0.00007 -0.00005 -0.00005 -0.00005 -0.00002 -0.00006 -0.00004 -0.00002 -0.00000 0.00002 0.00007 -0.00001 0.00003 -0.00000 -0.00003 -0.00002 -0.00004 0.00001 0.00000 -0.00004 -0.00004 -0.00001 0.00006 0.00002 0.00010 -0.00003 -0.00000 0.00001 0.00004 0.00005 0.00005 0.00001 0.00001 0.00001 0.00003 -0.00007 -0.00004 -0.00002 -0.00004 -0.00005 -0.00008 0.00000 0.00006 0.00003 0.00009 -0.00033 -0.00037 -0.00032 -0.00037 -0.00040 -0.00035 -0.00024 -0.00029 -0.00022 -0.00027 -0.00024 -0.00029 -0.00013 0.00007 -0.00007 0.00012 -0.00000 -0.00000 0.00001 0.00000 0.00000 -0.00000 0.00001 -0.00003 0.00001 -0.00003 0.00001 0.00001 -0.00001 0.00000 0.00000 0.00001 -0.00001 -0.00000 -0.00000 0.00000 0.00001 0.00000 0.00000 -0.00001 -0.00001 0.00000 -0.00000 -0.00001 0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 -0.00001 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00001 -0.00000 0.00003 -0.00000 0.00001 0.00001 -0.00001 -0.00002 -0.00001 0.00002 0.00003 -0.00000 -0.00001 -0.00001 -0.00001 -0.00000 -0.00002 0.00002 -0.00000 -0.00001 0.00000 0.00000 -0.00002 0.00002 0.00001 -0.00001 0.00001 -0.00000 -0.00000 0.00001 -0.00001 -0.00000 -0.00001 0.00001 0.00002 -0.00002 0.00000 -0.00001 -0.00000 0.00001 0.00000 0.00000 -0.00001 -0.00000 0.00000 0.00000 0.00000 -0.00002 0.00002 0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 0.00001 0.00000 0.00002 -0.00003 -0.00000 -0.00001 -0.00000 -0.00001 0.00003 -0.00002 0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00001 0.00000 0.00000 0.00003 0.00003 0.00002 0.00003 0.00006 -0.00016 -0.00017 -0.00016 0.00004 -0.00001 0.00018 0.00016 -0.00007 -0.00004 -0.00006 -0.00005 -0.00000 -0.00003 0.00001 -0.00002 -0.00003 -0.00002 -0.00003 -0.00004 -0.00003 -0.00001 -0.00002 -0.00001 0.00001 -0.00001 -0.00001 -0.00000 -0.00002 -0.00002 -0.00001 -0.00002 -0.00002 -0.00000 0.00003 -0.00003 0.00000 0.00002 -0.00004 0.00004 -0.00002 0.00005 0.00004 0.00002 0.00001 -0.00005 -0.00004 0.00002 0.00003 0.00007 0.00005 0.00002 -0.00000 -0.00003 -0.00002 -0.00002 -0.00001 0.00001 0.00001 0.00000 -0.00001 -0.00001 -0.00002 0.00001 0.00001 -0.00002 -0.00001 -0.00001 0.00000 0.00004 -0.00001 0.00003 -0.00002 0.00016 0.00019 0.00015 0.00017 0.00020 0.00016 -0.00014 -0.00010 -0.00016 -0.00012 -0.00017 -0.00013 0.00023 -0.00018 0.00019 -0.00022 0.00001 -0.00001 0.00001 0.00002 0.00002 -0.00000 0.00001 -0.00003 -0.00003 -0.00004 0.00000 -0.00002 -0.00002 0.00002 -0.00001 0.00000 -0.00000 0.00000 0.00000 0.00000 0.00001 0.00001 0.00001 -0.00001 0.00003 0.00001 -0.00001 -0.00001 -0.00001 0.00001 0.00000 0.00000 0.00001 -0.00000 -0.00002 0.00001 0.00000 0.00000 0.00000 -0.00001 0.00001 0.00001 0.00000 0.00000 0.00004 0.00000 0.00003 -0.00000 0.00002 0.00001 0.00000 -0.00001 -0.00001 -0.00001 0.00003 0.00000 -0.00002 -0.00000 -0.00000 -0.00001 0.00000 0.00002 0.00000 -0.00002 0.00001 -0.00002 -0.00000 0.00001 -0.00000 -0.00001 0.00001 0.00000 -0.00001 0.00002 -0.00001 -0.00002 0.00001 0.00000 0.00001 0.00000 -0.00001 0.00001 -0.00001 0.00000 0.00001 -0.00001 -0.00001 -0.00000 0.00002 -0.00002 0.00001 0.00001 -0.00002 -0.00000 -0.00001 0.00001 -0.00000 0.00001 -0.00001 -0.00001 0.00000 -0.00000 -0.00000 0.00001 -0.00000 -0.00000 -0.00000 0.00003 0.00000 0.00000 -0.00003 0.00001 -0.00000 -0.00001 0.00001 -0.00000 -0.00001 -0.00001 0.00000 -0.00001 0.00005 0.00004 -0.00033 -0.00034 -0.00035 0.00036 0.00034 0.00054 0.00049 -0.00040 -0.00040 -0.00038 -0.00006 -0.00004 -0.00000 -0.00001 0.00000 -0.00001 0.00000 0.00002 -0.00000 0.00001 0.00001 -0.00001 0.00000 -0.00006 -0.00007 -0.00005 -0.00008 -0.00009 -0.00007 -0.00005 -0.00007 -0.00004 -0.00006 -0.00001 -0.00005 -0.00000 0.00004 0.00002 0.00003 0.00001 0.00004 0.00001 -0.00000 -0.00004 -0.00004 -0.00003 -0.00002 -0.00001 0.00006 0.00011 0.00005 0.00009 -0.00006 -0.00002 -0.00000 0.00003 0.00006 0.00006 0.00001 0.00001 -0.00000 0.00001 -0.00005 -0.00004 -0.00004 -0.00005 -0.00006 -0.00008 0.00004 0.00005 0.00006 0.00007 -0.00017 -0.00017 -0.00017 -0.00019 -0.00019 -0.00019 -0.00038 -0.00039 -0.00038 -0.00039 -0.00041 -0.00042 0.00011 -0.00012 0.00012 -0.00010 3.31792 3.31097 3.28850 3.30042 2.55355 2.56450 2.57018 2.73603 2.57225 2.73564 2.53764 2.57545 2.69650 2.50569 2.52832 2.88662 2.87965 2.06683 2.07146 2.05986 2.05870 2.06609 2.05237 2.64347 2.66177 2.63533 2.61348 2.66303 2.63171 2.63890 2.03930 2.04286 2.60139 2.04364 2.65404 2.62178 2.82690 2.04755 2.04851 2.83075 2.07486 2.07198 2.50694 2.04577 2.08264 2.07747 2.06275 2.05816 2.01081 1.92043 1.85744 1.88643 1.91006 1.87430 2.00023 1.80704 1.92307 1.91388 1.92178 1.89228 1.88064 1.89490 1.90743 1.94197 1.95971 1.87823 2.16695 2.08656 2.02694 2.09737 2.04676 2.13891 2.07425 2.06997 2.13879 2.09472 2.03081 2.15762 2.17145 2.01938 2.09232 2.08195 2.06962 2.13161 2.08594 2.10949 2.08749 2.05740 2.08788 2.13781 2.06698 2.09845 2.11683 2.07729 2.10614 2.09967 2.14887 2.03017 2.10414 1.86467 1.86966 1.96277 1.85135 1.96000 1.94861 1.86815 1.92322 1.92833 1.94071 1.92249 1.88151 2.15647 2.04478 2.08162 2.00424 2.14806 2.13085 1.31742 -2.88196 -0.86139 1.20418 -2.01999 2.69157 -1.48643 0.55762 0.09921 -3.03349 0.06416 -3.08653 -3.08999 1.08071 -0.99662 -3.12669 0.00533 -0.00990 3.12574 -1.18393 3.07627 0.99556 0.95357 -1.06942 3.13306 2.97897 0.95599 -1.12472 -0.84788 -2.92324 1.25346 -3.00347 1.20435 -0.90213 1.24368 -0.83168 -2.93817 -0.00541 3.11686 -3.06699 0.05528 0.05279 -3.10951 3.11828 -0.04402 3.09939 -0.03948 -0.02341 3.12091 3.12193 0.00523 0.00100 -3.11570 3.13645 0.00952 0.00411 -3.12283 3.10951 -0.03491 -0.02264 3.11613 -3.09950 0.01752 0.03344 -3.13273 -0.00904 -3.13685 3.11745 -0.01036 0.00492 3.13278 3.10087 -0.05446 0.00488 -3.13052 -3.09057 0.05722 2.84691 -1.33227 0.74461 -0.34165 1.76235 -2.44396 -3.13034 0.03880 -1.02896 2.14017 1.05574 -2.05830 -3.11911 0.01484 -0.00561 3.12834 |Maximum Force|RMS Force|Maximum Displacement|RMS Displacement| 0.000043 0.000006 0.000930 0.000276 0.000450 0.000300 0.001800 0.001200 YES YES YES YES -1.283150e-08 Optimization completed. -- Stationary point found. R1 R2 R3 R4 R5 R6 R7 R8 R9 R10 R11 R12 R13 R14 R15 R16 R17 R18 R19 R20 R21 R22 R23 R24 R25 R26 R27 R28 R29 R30 R31 R32 R33 R34 R35 R36 R37 R38 R39 R40 R41 R42 R43 R44 1 2 3 4 5 6 7 8 8 9 9 10 10 11 11 12 12 12 12 13 13 14 14 15 15 16 17 18 19 19 20 21 22 22 23 23 23 24 25 27 27 27 28 28 16 17 29 29 26 26 26 13 15 14 18 19 27 18 25 13 14 30 31 32 33 34 35 16 17 20 21 22 20 21 36 37 24 38 24 25 26 39 40 28 41 42 29 43 1.7558 1.7521 1.7402 1.7465 1.3513 1.3571 1.3601 1.4479 1.3612 1.4477 1.3429 1.3629 1.4269 1.3259 1.3379 1.5275 1.5238 1.0937 1.0962 1.09 1.0894 1.0933 1.0861 1.3989 1.4085 1.3946 1.383 1.4092 1.3926 1.3964 1.0792 1.081 1.3766 1.0814 1.4045 1.3874 1.4959 1.0835 1.084 1.498 1.098 1.0964 1.3266 1.0826 -DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0 A1 A2 A3 A4 A5 A6 A7 A8 A9 A10 A11 A12 A13 A14 A15 A16 A17 A18 A19 A20 A21 A22 A23 A24 A25 A26 A27 A28 A29 A30 A31 A32 A33 A34 A35 A36 A37 A38 A39 A40 A41 A42 A43 A44 A45 A46 A47 A48 A49 A50 A51 A52 A53 A54 A55 A56 A57 A58 A59 A60 A61 A62 A63 A64 A65 A66 A67 A68 A69 A70 A71 A72 A73 13 14 19 18 13 13 13 14 14 30 8 8 8 12 12 32 9 9 9 12 12 34 8 8 16 1 1 15 2 2 15 9 9 11 10 10 20 16 16 19 17 17 19 18 18 24 24 24 25 22 22 23 11 11 23 5 5 5 6 6 7 10 10 10 28 28 41 27 27 29 3 3 4 8 9 10 11 12 12 12 12 12 12 13 13 13 13 13 13 14 14 14 14 14 14 15 15 15 16 16 16 17 17 17 18 18 18 19 19 19 20 20 20 21 21 21 22 22 22 23 23 23 24 24 24 25 25 25 26 26 26 26 26 26 27 27 27 27 27 27 28 28 28 29 29 29 15 18 27 25 14 30 31 30 31 31 12 32 33 32 33 33 12 34 35 34 35 35 16 17 17 15 20 20 15 21 21 11 22 22 20 21 21 19 36 36 19 37 37 24 38 38 25 26 26 23 39 39 23 40 40 6 7 23 7 23 23 28 41 42 41 42 42 29 43 43 4 28 28 119.3241 119.03 118.1854 117.9238 115.2099 110.0319 106.4234 108.0849 109.4389 107.3899 114.603 103.5355 110.1849 109.6576 110.1099 108.4202 107.7523 108.5687 109.2874 111.268 112.2823 107.6157 124.1572 119.5506 116.1356 120.1706 117.27 122.5505 118.8465 118.5992 122.544 120.0195 116.3562 123.6222 124.4144 115.7019 119.8817 119.2862 118.5814 122.1323 119.5149 120.8652 119.6046 117.8803 119.6258 122.4883 118.4288 120.2315 121.2867 119.0203 120.6732 120.3017 123.1212 116.3193 120.5586 106.838 107.1239 112.4587 106.0749 112.2989 111.6473 107.0371 110.1924 110.4837 111.1941 110.1508 107.804 123.5561 117.1572 119.2681 114.834 123.0752 122.0896 -DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0 D1 D2 D3 D4 D5 D6 D7 D8 D9 D10 D11 D12 D13 D14 D15 D16 D17 D18 D19 D20 D21 D22 D23 D24 D25 D26 D27 D28 D29 D30 D31 D32 D33 D34 D35 D36 D37 D38 D39 D40 D41 D42 D43 D44 D45 D46 D47 D48 D49 D50 D51 D52 D53 D54 D55 D56 D57 D58 D59 D60 D61 D62 D63 D64 D65 D66 D67 D68 D69 D70 D71 D72 D73 D74 D75 D76 D77 D78 D79 D80 D81 D82 D83 D84 D85 D86 D87 D88 D89 D90 D91 D92 15 15 15 13 13 18 18 18 14 14 27 27 19 19 19 25 25 18 18 14 14 14 30 30 30 31 31 31 13 13 13 30 30 30 31 31 31 8 8 17 17 8 8 16 16 1 1 15 15 2 2 15 15 9 9 11 11 10 10 21 21 10 10 20 20 18 18 38 38 25 25 26 26 24 24 26 26 24 24 24 25 25 25 10 10 41 41 42 42 27 27 43 8 8 8 8 8 9 9 9 9 9 10 10 10 10 10 11 11 11 11 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 15 15 15 15 15 15 15 15 16 16 16 16 17 17 17 17 18 18 18 18 19 19 19 19 19 19 19 19 22 22 22 22 23 23 23 23 23 23 23 23 23 23 23 23 23 23 27 27 27 27 27 27 28 28 28 13 13 13 15 15 14 14 14 18 18 19 19 27 27 27 18 18 25 25 13 13 13 13 13 13 13 13 13 14 14 14 14 14 14 14 14 14 16 16 16 16 17 17 17 17 20 20 20 20 21 21 21 21 22 22 22 22 20 20 20 20 21 21 21 21 24 24 24 24 24 24 24 24 25 25 25 25 26 26 26 26 26 26 28 28 28 28 28 28 29 29 29 12 32 33 16 17 12 34 35 11 22 20 21 28 41 42 9 22 23 40 8 32 33 8 32 33 8 32 33 9 34 35 9 34 35 9 34 35 1 20 1 20 2 21 2 21 19 36 19 36 19 37 19 37 24 38 24 38 16 36 16 36 17 37 17 37 23 39 23 39 22 39 22 39 11 40 11 40 5 6 7 5 6 7 29 43 29 43 29 43 3 4 3 75.4832 -165.1243 -49.3531 68.9915 -115.7394 154.2343 -85.1466 31.9692 5.6639 -173.8256 3.645 -176.8729 -177.0206 61.9427 -57.0804 -179.1427 0.308 -0.5671 179.0925 -67.8347 176.258 57.0412 54.6344 -61.2729 179.5102 170.6821 54.7748 -64.442 -48.5765 -167.485 71.821 -172.0819 69.0096 -51.6844 71.2604 -47.6481 -168.3422 -0.3063 178.5835 -175.7225 3.1673 3.0222 -178.1631 178.6623 -2.523 177.5793 -2.2629 -1.3408 178.817 178.8756 0.3018 0.0581 -178.5157 179.7018 0.539 0.2327 -178.9301 178.1648 -1.9988 -1.297 178.5394 -177.5917 1.0002 1.9155 -179.4925 -0.5177 -179.729 178.6195 -0.5918 0.2841 179.4984 177.6699 -3.1158 0.2771 -179.3686 -177.0799 3.2744 163.1259 -76.3234 42.6725 -19.5643 100.9864 -140.0177 -179.3335 2.2456 -58.9336 122.6454 60.5132 -117.9078 -178.7179 0.8568 -0.3285 -DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-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 -0.0659616083 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 477.0047095999997 AuxInfo=1/0/N:12;13;14;15;16;17;18;19;20;21;22;23;24;25;26;27;28;29;1;2;3;4;5;6;7;11;8;9;10;30;31;32;33;34;35;36;37;38;39;40;41;42;43/rA:43nCl0Cl0Cl0Cl0F0F0F0O0O0O0N0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:-2.0772,1.6282,-3.0041;-1.755,4.1084,1.7622;5.7156,-2.147,.1516;3.9092,-2.1986,-2.1044;1.6667,-2.5627,2.0173;.4096,-4.262,1.6138;1.5258,-3.3584,.0174;-3.0121,3.441,-.7687;-3.5721,.1694,.2636;1.7619,.8973,.2513;-1.8265,-.4809,1.5903;-4.7513,2.2283,.5453;-4.2481,2.7311,-.7997;-3.9113,1.1629,1.2275;-1.8627,2.7719,-.566;-1.2976,1.9005,-1.4887;-1.1237,3.0056,.5991;-2.5029,-.5908,.4688;.5963,1.485,-.0772;-.0922,1.2505,-1.258;.0802,2.385,.8508;-2.1523,-1.4885,-.5503;-.3288,-2.1772,.8395;-1.0582,-2.2914,-.3476;-.7605,-1.2494,1.7687;.8207,-3.0855,1.1247;2.3418,.0059,-.6708;3.5688,-.5572,-.0299;4.3051,-1.5083,-.5804;-4.8623,3.0608,1.2437;-5.7584,1.8413,.3626;-4.963,3.4574,-1.1856;-4.2122,1.9089,-1.5147;-4.4772,.7019,2.0424;-3.0141,1.5846,1.6749;.2792,.5779,-2.0167;.616,2.5809,1.7689;-2.7309,-1.5338,-1.462;-.7658,-2.9996,-1.112;-.2366,-1.1111,2.7068;2.5968,.5247,-1.605;1.6436,-.7989,-.9312;3.8679,-.1548,.9292; 0.000000 5.382652 0.000000 9.216254 9.875923 0.000000 7.161806 9.317301 2.890575 0.000000 7.536274 7.501787 4.477436 4.706440 0.000000 7.886968 8.647078 5.896198 5.507340 2.151938 0.000000 6.854006 8.340304 4.363497 3.395349 2.156972 2.147296 0.000000 3.026134 2.903617 10.404120 9.027403 8.105383 8.759045 8.212302 0.000000 3.878269 4.589575 9.572897 8.196692 6.163191 6.108548 6.204375 3.476053 0.000000 5.086328 4.996253 4.990944 4.443509 3.885784 5.504860 4.268600 5.504705 5.383472 0.000000 5.061612 4.593090 7.856772 7.035632 4.088823 4.392905 4.689517 4.727759 2.286987 4.070453 0.000000 4.484304 3.740778 11.351383 10.080814 8.143140 8.360663 8.419685 2.494361 2.389356 6.654260 4.121430 0.000000 3.284629 3.830919 11.134510 9.620136 8.422895 8.742055 8.431358 1.425716 2.854861 6.370856 4.679049 1.521496 0.000000 4.635364 3.689427 10.236682 9.141193 6.754065 6.946129 7.174085 3.159584 1.425185 5.762650 2.679547 1.518586 2.585004 0.000000 2.701551 2.686717 9.063146 7.770901 6.898379 7.706528 7.028653 1.345365 3.222378 4.161663 3.902758 3.142375 2.397233 3.162642 0.000000 1.725790 3.956339 8.261847 6.655263 6.403098 7.107542 6.155960 2.414790 3.352796 3.659855 3.928281 4.021535 3.141731 3.841008 1.389255 0.000000 3.973617 1.722665 8.574673 7.728022 6.387728 7.496567 6.917930 2.372037 3.761875 3.590585 3.692127 3.710319 3.434264 3.400163 1.399365 2.368655 0.000000 4.143211 4.931086 8.370518 7.093747 4.865327 4.824010 4.908451 4.248109 1.327909 4.522154 1.314344 3.606781 3.961116 2.373781 3.576113 3.389901 3.854019 0.000000 3.966754 3.974204 6.281000 5.352914 4.681506 5.993540 4.932646 4.162299 4.384402 1.346059 3.537674 5.434757 5.054051 4.703640 2.818077 2.398319 2.393304 3.769889 0.000000 2.670618 4.478172 6.874603 5.350114 5.325561 6.235932 5.048378 3.682908 3.948971 2.416631 3.757436 5.090702 4.435587 4.557501 2.434767 1.388822 2.755547 3.490520 1.386787 0.000000 4.481888 2.677417 7.265408 6.663646 5.325202 6.698804 5.980870 3.646893 4.312000 2.323983 3.520744 4.843622 4.645213 4.191324 2.435477 2.757952 1.377557 3.959024 1.391974 2.400756 0.000000 3.967456 6.068849 7.926572 6.297784 4.725596 4.351909 4.164989 5.008681 2.329543 4.653523 2.388222 4.665783 4.718036 3.644740 4.270234 3.618925 4.751400 1.402526 4.076796 3.499595 4.685192 0.000000 5.684339 6.511094 6.083510 5.160281 2.348994 2.343340 2.347452 6.430442 4.044405 3.764217 2.384150 6.249261 6.491518 4.913315 5.368578 4.794490 5.248876 2.716710 3.886875 4.025502 4.580523 2.393969 0.000000 4.843401 6.774563 6.793696 5.269743 3.618226 3.144045 2.819319 6.070875 3.570565 4.298723 2.761152 5.904582 5.967069 4.749021 5.131436 4.351035 5.381310 2.376026 4.131766 3.782450 4.959930 1.372171 1.398010 0.000000 5.726620 5.449309 6.735082 6.140791 2.770931 3.235635 3.569628 5.788568 3.490455 3.643253 1.326131 5.432950 5.882549 4.004872 4.778718 4.563040 4.427687 2.271407 3.567241 3.982092 3.841645 2.715150 1.382269 2.377706 0.000000 6.903940 7.667704 5.078145 4.555531 1.336341 1.338815 1.340728 7.801986 5.534708 4.184646 3.742818 7.721381 7.951729 6.360137 6.660949 6.014802 6.415483 4.207128 4.731224 5.031060 5.527236 3.767624 1.492581 2.515686 2.507329 0.000000 5.254006 6.287627 4.085773 3.061298 3.778799 5.212279 3.529545 6.361954 5.989572 1.407553 4.767011 7.531954 7.132419 6.636530 5.033851 4.183795 4.756118 5.012567 2.363690 2.796111 3.618103 4.737616 3.765524 4.116054 4.141457 3.885127 0.000000 6.745391 7.302243 2.677494 2.667136 3.439672 5.138908 3.467408 7.735659 7.183857 2.336604 5.633869 8.792858 8.515337 7.777657 6.393089 5.643655 5.925267 6.092256 3.606772 4.263681 4.647916 5.819779 4.309525 4.951541 4.738966 3.908664 1.494444 0.000000 7.513082 8.588320 1.712684 1.719318 3.849828 5.250983 3.391911 8.835854 8.098017 3.598088 6.585121 9.861399 9.548748 8.826796 7.507413 6.620811 7.158036 6.949173 4.792484 5.235066 5.920796 6.457536 4.892532 5.425167 5.589830 4.187600 2.480965 1.322718 0.000000 5.277569 3.319964 11.840913 10.761582 8.651643 9.030760 9.138818 2.759951 3.314478 7.038901 4.677652 1.092289 2.158964 2.122978 3.515176 4.638947 3.794231 4.416152 5.833082 5.682439 5.003958 5.590957 6.939254 6.756499 5.973136 8.371931 8.055942 9.262679 10.404132 0.000000 4.993109 4.808987 12.149219 10.764277 8.790034 8.766961 8.956256 3.373592 2.754045 7.580107 4.728591 1.094308 2.103254 2.149432 4.111585 4.830098 4.784584 4.065079 6.379859 5.922967 5.884121 4.992434 6.771695 6.298835 6.042159 8.254623 8.369610 9.638683 10.648133 1.751143 0.000000 3.870491 4.405072 12.133859 10.561779 9.510698 9.812819 9.487188 1.995021 3.853068 7.337782 5.749242 2.133447 1.089717 3.491998 3.235112 3.993889 4.257909 5.017743 6.002079 5.347978 5.543506 5.724136 7.571390 6.999915 6.967259 9.033227 8.095615 9.499760 10.531967 2.463464 2.375211 0.000000 2.618226 4.649068 10.853027 9.120124 8.187286 8.320389 7.938260 2.084255 2.568682 6.311228 4.587364 2.153213 1.090237 2.857749 2.676751 2.914725 3.899976 3.620045 5.036637 4.180195 4.924076 4.088463 6.108958 5.380740 5.715731 7.565778 6.876698 8.296440 9.224666 3.059115 2.433040 1.752130 0.000000 5.664356 4.369652 10.751066 9.794985 6.957449 6.978922 7.524788 4.189417 2.065613 6.494058 2.937666 2.155503 3.499632 1.094008 4.233731 4.900572 4.316990 2.836471 5.553982 5.515629 5.002290 4.113982 5.190905 5.134387 4.206685 6.576870 7.371945 8.403528 9.428328 2.520086 2.400213 4.271840 3.765616 0.000000 4.772075 2.821898 9.615248 8.748037 6.263134 6.775542 6.913056 3.068775 2.075058 5.030820 2.384039 2.169804 2.993475 1.087592 2.785183 3.613156 2.598159 2.539388 4.014340 4.153449 3.300697 3.890711 4.696747 4.789498 3.621947 6.067815 6.056465 7.129440 8.259711 2.404439 3.052705 3.935504 3.422587 1.747813 0.000000 2.762399 5.557171 6.456117 4.570974 5.297314 6.051615 4.602794 4.537337 4.494339 2.728385 4.308716 5.881571 5.158872 5.331648 3.391967 2.124662 3.834565 3.909345 2.164468 1.079773 3.395222 3.511733 4.014720 3.578666 4.330022 4.856123 2.528478 4.007211 4.756391 6.574938 6.611292 6.038439 4.711241 6.254157 5.048432 0.000000 5.562640 2.820455 7.139639 6.977914 5.255648 6.847756 6.258591 4.510240 5.061798 2.539833 3.920689 5.516246 5.502727 4.774930 3.410596 3.838892 2.138992 4.634382 2.146984 3.381341 1.080957 5.440758 4.939179 5.569703 4.070071 5.706568 3.944795 4.669326 5.987455 5.524353 6.569441 6.373596 5.877506 5.435658 3.765528 4.296056 0.000000 3.578225 6.571398 8.621074 6.704149 5.701145 5.173622 4.861774 5.030803 2.566416 5.388004 3.353145 4.718614 4.575018 3.987380 4.482841 3.721528 5.238100 2.160837 4.701188 3.841483 5.348695 1.080789 3.388379 2.147948 3.794875 4.659693 5.359953 6.533861 7.091064 5.742386 4.887387 5.474633 3.748278 4.508788 4.432259 3.718501 6.210589 0.000000 5.168862 7.730712 6.658198 4.845851 3.987487 3.225653 2.579788 6.829778 4.450903 4.840787 3.843382 6.779559 6.713139 5.717854 5.900142 4.943306 6.254470 3.364299 4.799762 4.305661 5.793307 2.126410 2.162330 1.082264 3.370738 2.743508 4.345654 5.091666 5.312300 7.685071 7.108808 7.701694 6.011154 6.117701 5.816910 3.835226 6.430447 2.476456 0.000000 6.595910 5.517383 6.559749 6.443445 2.490945 3.397102 3.922825 6.364274 4.328349 3.749240 2.042408 6.017153 6.568910 4.567575 5.332251 5.272377 4.709175 3.227293 3.896657 4.617062 3.970900 3.797469 2.152103 3.376017 1.083302 2.742107 4.393606 4.719894 5.620489 6.398723 6.685960 7.639451 6.538110 4.659588 4.005764 5.042767 3.903477 4.876388 4.292918 0.000000 5.002140 6.566500 4.466656 3.063994 4.849587 6.169058 4.342528 6.376816 6.455496 2.069253 5.548557 7.843458 7.236682 7.126356 5.100579 4.131870 4.985444 5.617052 2.694117 2.806695 3.978070 5.264893 4.672798 4.782248 5.079477 4.862027 1.098624 2.143952 2.846275 8.377668 8.684101 8.119537 6.948809 7.960934 6.585075 2.354468 4.419836 5.713281 4.895958 5.412513 0.000000 4.902247 6.548727 4.423973 2.910147 3.435895 4.471372 2.732185 6.299059 5.437697 2.071024 4.301196 7.227566 6.869516 6.274113 5.017688 4.030864 4.947033 4.381326 2.653678 2.705443 3.969470 3.876771 2.987557 3.141266 3.643111 3.183157 1.096805 2.139503 2.776725 7.871089 7.964492 7.863043 6.477832 6.968398 5.845195 2.221549 4.446244 4.467397 3.268153 4.106960 1.764780 0.000000 7.348122 7.105360 2.826184 3.658055 3.439115 5.412773 4.071828 7.946533 7.476815 2.449869 5.741929 8.950823 8.785675 7.895654 6.606119 6.062446 5.917183 6.402284 3.795426 4.737174 4.561139 6.341203 4.659474 5.519223 4.829670 4.232353 2.216906 1.082210 2.074030 9.308976 9.847410 9.772711 8.690212 8.462576 7.137516 4.700432 4.331767 7.152890 5.807774 4.573990 2.915443 2.970450 0.000000 C18H14Cl4F3NO3 C1 1 C1 1 C1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 477.0047095999997 AuxInfo=1/0/N:12;13;14;15;16;17;18;19;20;21;22;23;24;25;26;27;28;29;1;2;3;4;5;6;7;11;8;9;10;30;31;32;33;34;35;36;37;38;39;40;41;42;43/rA:43nCl0Cl0Cl0Cl0F0F0F0O0O0O0N0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:-2.5098,-1.2474,2.7574;-3.7738,-1.494,-2.4689;5.9685,-1.3822,-.8536;4.5691,-1.2267,1.6708;2.8954,1.8061,-1.5153;2.8742,3.6108,-.3434;3.278,1.7275,.606;-4.3633,-1.2715,.3655;-2.9236,1.8889,.5139;.9802,-1.5244,-.9323;-1.1485,1.9451,-.927;-5.0876,1.0724,-.0855;-4.9513,-.0846,.8931;-3.7947,1.6843,-.5954;-3.043,-1.3058,.1096;-2.0606,-1.2989,1.0919;-2.5985,-1.4385,-1.2106;-1.6151,1.9673,.3015;-.3037,-1.4674,-.5319;-.7064,-1.3671,.7913;-1.2632,-1.5202,-1.539;-.7899,2.0726,1.4307;1.0698,2.1399,-.0753;.5637,2.169,1.2275;.1625,2.0214,-1.1114;2.5286,2.3173,-.3364;1.9864,-1.5101,.0519;3.3007,-1.5007,-.6594;4.4626,-1.3849,-.0379;-5.6753,.7669,-.9541;-5.6759,1.8356,.4332;-5.9494,-.3956,1.2005;-4.4304,.2471,1.7915;-3.9979,2.6433,-1.0809;-3.3201,1.0539,-1.3438;.0001,-1.3445,1.6076;-.9575,-1.6087,-2.572;-1.2182,2.0728,2.423;1.227,2.2585,2.078;.4918,1.9903,-2.143;1.9053,-2.3912,.7031;1.8939,-.6265,.695;3.2929,-1.6028,-1.7367; 0.2202885 0.0798441 0.0735162 -101.58046 -101.57699 -101.57017 -101.56462 -24.72516 -24.72463 -24.72017 -19.18163 -19.17988 -19.15959 -14.33036 -10.44004 -10.29587 -10.29091 -10.26140 -10.25946 -10.25624 -10.25443 -10.25170 -10.23860 -10.23663 -10.23493 -10.22056 -10.21473 -10.20760 -10.20397 -10.20052 -10.19649 -10.18765 -9.49567 -9.49203 -9.48569 -9.48005 -7.26032 -7.25693 -7.25035 -7.25020 -7.25002 -7.24657 -7.24632 -7.24464 -7.24051 -7.23999 -7.23497 -7.23420 -1.33904 -1.24837 -1.24396 -1.11442 -1.10931 -1.08753 -0.97630 -0.94206 -0.92257 -0.89719 -0.85653 -0.85271 -0.84834 -0.82680 -0.81075 -0.79731 -0.76564 -0.75669 -0.73303 -0.71728 -0.70101 -0.67512 -0.66244 -0.63668 -0.62705 -0.61570 -0.61295 -0.60534 -0.59706 -0.58224 -0.57334 -0.56285 -0.54535 -0.54052 -0.52912 -0.52120 -0.51218 -0.49837 -0.49193 -0.48808 -0.48406 -0.48169 -0.47794 -0.47583 -0.47011 -0.46095 -0.45603 -0.45189 -0.44816 -0.44594 -0.44539 -0.43471 -0.42868 -0.42667 -0.42246 -0.41620 -0.40873 -0.40760 -0.39897 -0.39536 -0.38431 -0.38195 -0.37355 -0.36617 -0.35976 -0.35422 -0.34804 -0.34404 -0.33298 -0.32787 -0.32551 -0.32051 -0.31351 -0.30298 -0.29312 -0.26759 -0.26630 -0.26125 -0.23946 -0.05625 -0.04508 -0.04259 -0.02972 -0.01905 -0.01596 -0.01178 -0.00374 0.00379 0.00653 0.01128 0.01306 0.01831 0.01900 0.02450 0.03059 0.03201 0.03804 0.03969 0.04369 0.04787 0.05385 0.05469 0.05618 0.06560 0.06700 0.07234 0.07557 0.07605 0.07750 0.08020 0.08690 0.08795 0.09363 0.09506 0.09630 0.10102 0.10330 0.10536 0.10770 0.10843 0.11183 0.11650 0.11880 0.12000 0.12218 0.12409 0.12679 0.12885 0.13048 0.13327 0.13385 0.13785 0.14187 0.14286 0.14425 0.14886 0.15026 0.15221 0.15702 0.15834 0.16213 0.16403 0.16641 0.16900 0.17184 0.17398 0.17532 0.17655 0.17955 0.18285 0.18397 0.18610 0.19143 0.19282 0.19389 0.19845 0.20256 0.20396 0.20500 0.20701 0.21133 0.21219 0.21531 0.21729 0.22096 0.22350 0.22391 0.22555 0.22878 0.23176 0.23574 0.23897 0.24053 0.24236 0.24701 0.24747 0.24875 0.25169 0.25376 0.25705 0.25977 0.26018 0.26298 0.26371 0.26668 0.27224 0.27308 0.27963 0.28029 0.28518 0.28964 0.29363 0.29496 0.29968 0.30140 0.30429 0.30646 0.30966 0.31415 0.31632 0.31723 0.32401 0.32643 0.33000 0.33473 0.33711 0.33744 0.33998 0.34422 0.34953 0.35139 0.35571 0.35808 0.36312 0.36739 0.36850 0.37222 0.37398 0.37663 0.37918 0.38337 0.38572 0.39620 0.39844 0.40264 0.41144 0.41664 0.41739 0.42158 0.42936 0.43468 0.43897 0.44333 0.44487 0.45067 0.45603 0.45891 0.46339 0.46929 0.47798 0.48228 0.48757 0.49179 0.49762 0.50002 0.50580 0.50646 0.51505 0.52018 0.52179 0.52410 0.52528 0.53410 0.53806 0.54336 0.54867 0.54964 0.55358 0.56216 0.56663 0.56935 0.57761 0.58193 0.59380 0.59549 0.60230 0.60545 0.61218 0.61305 0.62302 0.62909 0.63177 0.63559 0.63900 0.64368 0.64482 0.64892 0.65393 0.65790 0.66317 0.66888 0.67513 0.67645 0.68146 0.68181 0.69066 0.69568 0.70301 0.70969 0.71032 0.71489 0.71913 0.72282 0.72801 0.73122 0.73317 0.73679 0.74221 0.74703 0.75208 0.75607 0.76087 0.76551 0.77138 0.77653 0.77874 0.79018 0.79128 0.79443 0.80682 0.81298 0.82095 0.82581 0.84375 0.84911 0.85157 0.85422 0.86303 0.87260 0.87902 0.88503 0.89035 0.89222 0.89714 0.90368 0.90815 0.90995 0.91816 0.92118 0.93096 0.93228 0.93581 0.93935 0.94794 0.95160 0.95844 0.96415 0.96439 0.97409 0.97668 0.98051 0.99125 0.99275 0.99801 1.00631 1.00830 1.01417 1.01940 1.02431 1.03397 1.04232 1.05038 1.05387 1.06072 1.06818 1.07662 1.08122 1.09278 1.09767 1.10433 1.10848 1.12328 1.12997 1.13734 1.14272 1.14553 1.15445 1.16334 1.16916 1.17730 1.18583 1.19840 1.20307 1.21280 1.22056 1.22200 1.23580 1.24141 1.25785 1.26656 1.27303 1.29113 1.29787 1.30503 1.31996 1.32411 1.33425 1.34039 1.35243 1.35927 1.36753 1.37732 1.38307 1.39158 1.39935 1.41243 1.42534 1.43181 1.43639 1.44125 1.46683 1.47692 1.48252 1.48646 1.49288 1.50196 1.50483 1.51575 1.52268 1.53095 1.53972 1.54199 1.54912 1.56147 1.56904 1.57532 1.57766 1.58609 1.59484 1.59975 1.60599 1.60920 1.60975 1.62060 1.62397 1.62646 1.63549 1.64217 1.64664 1.64995 1.66876 1.67857 1.68814 1.69884 1.70231 1.70454 1.71451 1.71709 1.72294 1.72586 1.73576 1.74793 1.75965 1.77049 1.77239 1.78173 1.79472 1.80029 1.80824 1.81149 1.81465 1.82151 1.83795 1.84338 1.84444 1.86241 1.87884 1.88313 1.88703 1.90149 1.91111 1.91383 1.93016 1.94121 1.95394 1.96795 1.97507 1.98795 1.99034 1.99869 2.00880 2.01410 2.02084 2.02580 2.03240 2.04966 2.05195 2.06237 2.07698 2.09166 2.10454 2.11106 2.12579 2.13021 2.13985 2.15300 2.15714 2.16325 2.16622 2.19038 2.20066 2.21495 2.22361 2.23279 2.24805 2.25822 2.26629 2.27014 2.27115 2.29331 2.30090 2.30768 2.31274 2.32443 2.33596 2.34100 2.34736 2.35998 2.37413 2.38178 2.39093 2.40941 2.42928 2.46422 2.47595 2.47996 2.49524 2.50198 2.50477 2.53020 2.53419 2.54435 2.55116 2.56001 2.57628 2.57974 2.58635 2.58993 2.61742 2.62641 2.63398 2.65096 2.65780 2.68110 2.69244 2.69817 2.71811 2.72245 2.72701 2.73821 2.75409 2.76905 2.78070 2.79058 2.79393 2.79940 2.80504 2.81307 2.81721 2.82282 2.83850 2.84925 2.85757 2.86335 2.86826 2.88880 2.89782 2.90886 2.91584 2.92286 2.93419 2.95039 2.96140 2.97080 2.98402 2.98643 2.99056 3.00367 3.02186 3.06797 3.07862 3.08832 3.10258 3.10663 3.12166 3.13803 3.16677 3.17138 3.17955 3.19295 3.19768 3.21075 3.22780 3.24194 3.25680 3.26473 3.26891 3.28156 3.32679 3.34837 3.38296 3.39223 3.40532 3.42625 3.44420 3.47492 3.50522 3.50647 3.54366 3.56535 3.64264 3.70663 3.72258 3.73011 3.74089 3.74666 3.75017 3.76482 3.76941 3.77224 3.78025 3.79429 3.80895 3.82593 3.85065 3.87871 3.89019 3.92647 3.94081 3.97479 3.98298 4.01730 4.03297 4.07206 4.07516 4.10376 4.11754 4.12696 4.13687 4.19717 4.20373 4.21732 4.22680 4.23520 4.27452 4.35135 4.45583 4.50776 4.72884 4.84464 4.93788 4.96619 5.09651 5.13901 5.18896 5.23843 5.39721 5.45407 5.45953 5.77888 5.86323 5.88474 6.35873 6.37272 6.39910 6.40581 6.42540 6.46062 6.51767 6.76448 6.79876 9.76950 9.80316 9.83249 9.87020 23.50515 23.55843 23.57076 23.73644 23.85074 23.87541 23.88517 23.90877 23.92952 23.94474 23.97532 23.98872 24.03114 24.08336 24.08766 24.15288 24.15733 24.20880 25.85695 25.92271 25.92921 25.99001 26.04146 26.08992 26.28528 26.31287 26.52977 26.58013 26.86218 26.94215 35.70294 49.96512 49.98737 50.00327 66.76349 66.77591 66.83435 215.76119 215.79918 215.83371 215.87915 1-A. -2.0056 1.0538 1.1081 2.5221 -199.6847 -200.7225 -190.2809 -13.4513 -1.1406 2.7622 -2.7887 -3.8265 6.6152 -13.4513 -1.1406 2.7622 -71.1715 18.6804 1.6969 14.3511 49.1565 -1.9783 26.5269 18.1851 2.3668 6.5492 -12601.8614 -3570.0621 -2138.7288 -117.2398 -134.6174 22.3190 -15.9504 -16.2502 10.1423 -2834.9045 -2474.0730 -940.4776 3.6948 9.9710 21.4657 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 477.0047095999997 AuxInfo=1/0/N:12;13;14;15;16;17;18;19;20;21;22;23;24;25;26;27;28;29;1;2;3;4;5;6;7;11;8;9;10;30;31;32;33;34;35;36;37;38;39;40;41;42;43/rA:43nCl0Cl0Cl0Cl0F0F0F0O0O0O0N0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:-2.0364,1.5694,-3.0009;-1.7486,4.1569,1.8003;5.8073,-2.1402,.3591;4.1918,-2.023,-2.092;1.6616,-2.5823,1.8251;.4508,-4.3165,1.3186;1.4983,-3.2391,-.2485;-3.0029,3.4443,-.7695;-3.6832,.1518,.3027;1.7841,.8781,.3571;-1.838,-.4706,1.548;-4.7811,2.2725,.5482;-4.2516,2.7129,-.8153;-3.9492,1.2093,1.255;-1.8426,2.7689,-.5449;-1.2622,1.8803,-1.456;-1.1043,3.0269,.6265;-2.592,-.6135,.4668;.6198,1.4825,-.0123;-.0561,1.2275,-1.203;.1003,2.4043,.8989;-2.3138,-1.5353,-.5623;-.3888,-2.185,.7088;-1.1988,-2.3315,-.4292;-.751,-1.2426,1.6604;.7998,-3.0715,.9064;2.3977,-.0227,-.5639;3.6045,-.592,.1168;4.4267,-1.4621,-.4548;-4.8652,3.136,1.2141;-5.7942,1.8898,.3784;-4.946,3.4215,-1.2669;-4.1592,1.8524,-1.477;-4.4888,.7842,2.1056;-3.0076,1.6028,1.6264;.324,.54,-1.9429;.6328,2.6049,1.818;-2.964,-1.5856,-1.425;-.9399,-3.0526,-1.1954;-.1452,-1.0936,2.5469;2.6744,.5071,-1.4849;1.7029,-.8263,-.8353;3.7864,-.2846,1.1388; 0.000000 5.461599 0.000000 9.304558 9.940923 0.000000 7.247272 9.414353 2.937928 0.000000 7.362173 7.552895 4.419455 4.696676 0.000000 7.712788 8.767412 5.860742 5.557589 2.174845 0.000000 6.571998 8.333086 4.488231 3.483161 2.181277 2.171083 0.000000 3.070606 2.946972 10.491921 9.132659 8.050391 8.747437 8.074646 0.000000 3.954143 4.693192 9.763472 8.513547 6.193456 6.171477 6.216871 3.528876 0.000000 5.133303 5.031248 5.029507 4.495746 3.760838 5.448410 4.171260 5.547121 5.515588 0.000000 4.989364 4.635259 7.915231 7.212373 4.096638 4.481260 4.692815 4.696238 2.311493 4.044340 0.000000 4.541291 3.783491 11.472654 10.292508 8.167449 8.448725 8.393030 2.504237 2.400637 6.714390 4.145668 0.000000 3.315324 3.897626 11.230024 9.764774 8.365170 8.722268 8.295091 1.447864 2.851722 6.416483 4.641753 1.527529 0.000000 4.679810 3.718691 10.354257 9.376909 6.795689 7.063842 7.191892 3.160571 1.447660 5.812639 2.713899 1.523845 2.576502 0.000000 2.740121 2.726743 9.134453 7.859464 6.821427 7.676948 6.880840 1.361191 3.309945 4.188355 3.856866 3.174279 2.424781 3.179623 0.000000 1.755763 4.002896 8.332834 6.736930 6.263253 7.002301 5.940199 2.438825 3.455773 3.683985 3.857829 4.068631 3.168710 3.875582 1.398866 0.000000 4.018860 1.752094 8.633635 7.806434 6.367787 7.538014 6.841123 2.393319 3.875780 3.610069 3.690522 3.754251 3.476107 3.434004 1.408532 2.382573 0.000000 4.134996 5.024560 8.537574 7.386086 4.879935 4.867870 4.912802 4.261791 1.342863 4.624609 1.325939 3.623236 3.932288 2.405354 3.609161 3.418270 3.935867 0.000000 3.999331 4.005908 6.338130 5.419698 4.580764 5.952078 4.808376 4.188814 4.515019 1.362879 3.505674 5.487067 5.088156 4.749348 2.828809 2.405058 2.401169 3.864968 0.000000 2.696519 4.523874 6.939787 5.422278 5.160773 6.111472 4.824636 3.712960 4.071843 2.437687 3.691414 5.146281 4.467566 4.604129 2.449658 1.394553 2.771900 3.550750 1.392647 0.000000 4.524505 2.702285 7.315325 6.729621 5.306714 6.742965 5.926107 3.673555 4.443383 2.336290 3.527498 4.895734 4.687513 4.237114 2.447958 2.770684 1.383001 4.067189 1.396438 2.413978 0.000000 3.957590 6.188830 8.195588 6.700882 4.753906 4.349249 4.187339 5.031269 2.338684 4.843823 2.411078 4.671123 4.676068 3.675467 4.329954 3.683843 4.867150 1.409222 4.244426 3.624979 4.845927 0.000000 5.529137 6.577226 6.206127 5.371488 2.368150 2.370665 2.364036 6.380246 4.059330 3.771946 2.396546 6.259958 6.421297 4.949296 5.312884 4.687795 5.261365 2.716993 3.871350 3.925579 4.619181 2.396532 0.000000 4.746792 6.882745 7.052911 5.649704 3.650558 3.117051 2.851442 6.060568 3.588113 4.451690 2.789424 5.914800 5.908847 4.789367 5.142229 4.335607 5.462194 2.386467 4.245869 3.817165 5.087173 1.376591 1.404466 0.000000 5.593461 5.492659 6.746093 6.254655 2.764456 3.318118 3.562161 5.739535 3.519266 3.552784 1.337937 5.462117 5.833451 4.050252 4.706105 4.441348 4.407021 2.282483 3.478891 3.844814 3.821533 2.732818 1.387381 2.398460 0.000000 6.696929 7.716399 5.122644 4.647090 1.351266 1.357079 1.360073 7.728179 5.554379 4.107238 3.759519 7.735184 7.870203 6.403074 6.572626 5.861120 6.394806 4.211800 4.649165 4.864452 5.520274 3.769866 1.495927 2.515151 2.513611 0.000000 5.304254 6.344294 4.118396 3.091176 3.577796 5.076444 3.354620 6.420984 6.144790 1.426940 4.754122 7.618380 7.194439 6.716329 5.076799 4.220387 4.793807 5.129145 2.393890 2.827079 3.648058 4.948363 3.749634 4.275926 4.043458 3.742992 0.000000 6.797950 7.351300 2.703317 2.696638 3.264141 5.026118 3.402492 7.793295 7.327918 2.352156 5.628832 8.871867 8.573796 7.848479 6.434677 5.680712 5.960567 6.206419 3.637115 4.295621 4.676436 6.031422 4.339921 5.137730 4.666496 3.825932 1.497975 0.000000 7.579237 8.648297 1.740193 1.746495 3.754810 5.205717 3.431570 8.909064 8.303533 3.622012 6.651341 9.986840 9.637111 8.956299 7.564025 6.673619 7.204981 7.129606 4.833112 5.281017 5.958168 6.741790 5.006551 5.692351 5.597351 4.194884 2.490127 1.326614 0.000000 5.312492 3.331518 11.936144 10.935086 8.698880 9.154795 9.125514 2.738211 3.336661 7.074331 4.720534 1.093718 2.161974 2.133792 3.516399 4.657113 3.808137 4.448012 5.858623 5.710719 5.028983 5.611205 6.971820 6.785023 6.024782 8.409513 8.117169 9.318698 10.500834 0.000000 5.063857 4.850579 12.281513 11.006073 8.813663 8.854488 8.937488 3.394850 2.735469 7.645562 4.753051 1.096169 2.117018 2.153022 4.152132 4.889219 4.832160 4.065523 6.438749 5.988729 5.939710 4.972793 6.777248 6.291988 6.073662 8.268862 8.464769 9.724368 10.788699 1.764779 0.000000 3.860378 4.491213 12.215105 10.668794 9.448011 9.781917 9.323565 2.005799 3.840492 7.375651 5.721195 2.154473 1.090030 3.499603 3.252338 3.997700 4.301067 4.982771 6.025880 5.359907 5.584773 5.656327 7.490220 6.916645 6.922451 8.938454 8.141612 9.546378 10.599812 2.498670 2.402579 0.000000 2.628372 4.675661 10.892285 9.226920 8.028098 8.192754 7.709642 2.090847 2.507160 6.295680 4.464850 2.159740 1.089412 2.814443 2.659919 2.897215 3.890556 3.509216 5.012014 4.159406 4.908376 3.964567 5.940791 5.231268 5.571106 7.383502 6.880535 8.293957 9.260000 3.064017 2.473250 1.767892 0.000000 5.718954 4.356255 10.844844 10.042549 7.016976 7.143907 7.587690 4.189257 2.073429 6.512664 2.985311 2.173964 3.508237 1.093324 4.238704 4.929264 4.321121 2.870010 5.574069 5.548999 5.013972 4.150595 5.251332 5.191948 4.275157 6.653801 7.429691 8.446898 9.543933 2.543123 2.431019 4.305579 3.752908 0.000000 4.728241 2.852871 9.660091 8.877182 6.273318 6.862387 6.874695 3.021866 2.076995 5.009634 2.381807 2.180983 2.956715 1.086065 2.726156 3.553190 2.578850 2.535605 3.982156 4.105776 3.290944 3.888281 4.695409 4.793285 3.631703 6.071486 6.054451 7.128488 8.306210 2.443703 3.066809 3.928921 3.319570 1.758862 0.000000 2.784033 5.602563 6.522946 4.642341 5.072987 5.851338 4.304788 4.569512 4.609900 2.745196 4.228714 5.938786 5.189352 5.379086 3.408342 2.132906 3.850479 3.954747 2.168577 1.079152 3.406089 3.629199 3.868440 3.585496 4.161313 4.624664 2.553084 4.035517 4.801542 6.605603 6.681514 6.044238 4.694498 6.293844 4.996881 0.000000 5.605294 2.842597 7.170720 7.026550 5.288190 6.941750 6.258725 4.540777 5.190561 2.538025 3.954321 5.570815 5.550153 4.822877 3.426137 3.851711 2.148329 4.752212 2.147133 3.390914 1.081031 5.611561 5.021679 5.724781 4.091815 5.751528 3.961378 4.684529 6.008297 5.556564 6.625003 6.427006 5.864008 5.443213 3.780687 4.301565 0.000000 3.646586 6.697442 8.968043 7.200130 5.740399 5.161932 4.902035 5.072579 2.553601 5.638261 3.368988 4.698960 4.528425 3.995509 4.581928 3.861273 5.379780 2.159204 4.924630 4.051959 5.541612 1.081446 3.397593 2.159579 3.812418 4.670065 5.650803 6.819811 7.455107 5.733512 4.831225 5.387435 3.640156 4.517283 4.413473 3.949346 6.404269 0.000000 5.081832 7.848868 6.983820 5.310264 4.013999 3.138667 2.622245 6.829871 4.476376 5.028002 3.872903 6.793475 6.659775 5.763970 5.926927 4.950263 6.348715 3.382490 4.939544 4.370380 5.936818 2.142623 2.163831 1.083519 3.386305 2.728466 4.551779 5.331853 5.646120 7.714425 7.104086 7.613653 5.873799 6.181536 5.823233 3.881131 6.600113 2.510309 0.000000 6.437882 5.540428 6.427585 6.418187 2.449785 3.500127 3.888242 6.305367 4.370882 3.522062 2.061866 6.067726 6.531200 4.630637 5.230688 5.110308 4.646079 3.247189 3.710923 4.410988 3.874461 3.816414 2.151563 3.391124 1.084027 2.737918 4.158156 4.496368 5.481621 6.476449 6.746437 7.614360 6.401732 4.752614 4.038660 4.800723 3.849108 4.895266 4.298118 0.000000 5.061491 6.608788 4.497084 3.012123 4.639651 6.005886 4.116550 6.432027 6.613684 2.079248 5.524147 7.926825 7.299561 7.202229 5.138375 4.169275 5.008538 5.727099 2.709475 2.837964 3.988491 5.468562 4.630655 4.916724 4.968643 4.694551 1.097964 2.153760 2.830129 8.428611 8.780693 8.161560 6.964719 8.017432 6.570047 2.394805 4.413376 6.014520 5.081232 5.173780 0.000000 4.940813 6.609931 4.472038 3.034199 3.187921 4.288110 2.491519 6.355080 5.591193 2.081667 4.283032 7.318375 6.926929 6.360722 5.057740 4.062305 4.986362 4.492940 2.679696 2.728948 4.001580 4.087935 2.933484 3.293994 3.524628 2.981582 1.096438 2.139560 2.822804 7.939758 8.065745 7.901724 6.476921 7.041219 5.843686 2.234895 4.467459 4.764857 3.474263 3.863433 1.773101 0.000000 7.381020 7.127438 2.852246 3.691162 3.203922 5.235854 3.986095 7.977520 7.528853 2.443738 5.642270 8.960428 8.798454 7.879358 6.621530 6.075158 5.928449 6.422088 3.804583 4.747081 4.568922 6.455260 4.607456 5.612540 4.666614 4.091474 2.212750 1.082573 2.082339 9.303545 9.853594 9.786521 8.633671 8.399682 7.068053 4.707919 4.330728 7.337094 5.953830 4.253763 2.957555 2.920863 0.000000 C18H14Cl4F3NO3 C1 1 C1 1 C1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 477.0047095999997 AuxInfo=1/0/N:12;13;14;15;16;17;18;19;20;21;22;23;24;25;26;27;28;29;1;2;3;4;5;6;7;11;8;9;10;30;31;32;33;34;35;36;37;38;39;40;41;42;43/rA:43nCl0Cl0Cl0Cl0F0F0F0O0O0O0N0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:-2.4409,-.8589,2.9043;-3.764,-1.9161,-2.288;6.0564,-1.3417,-.8558;4.7074,-1.1539,1.7474;2.8627,1.6325,-1.5529;2.8576,3.5593,-.5443;3.141,1.741,.6078;-4.3431,-1.2891,.5326;-3.0594,1.9837,.2261;1.0322,-1.5674,-.8087;-1.2111,1.7807,-1.1471;-5.1701,.9424,-.2469;-4.9566,-.0329,.9092;-3.8963,1.5139,-.8576;-3.0091,-1.3257,.2647;-2.0095,-1.1527,1.2279;-2.5699,-1.6487,-1.034;-1.7301,2.0421,.0447;-.2621,-1.5072,-.3862;-.6511,-1.2253,.921;-1.2303,-1.74,-1.3653;-.9585,2.3777,1.1752;.9704,2.1594,-.2301;.4085,2.4404,1.026;.1195,1.8341,-1.2765;2.448,2.2701,-.436;2.0661,-1.4052,.1613;3.3694,-1.4406,-.5763;4.5509,-1.3313,.017;-5.7417,.4589,-1.0442;-5.7846,1.7603,.1471;-5.9211,-.3327,1.319;-4.3799,.4448,1.7005;-4.1167,2.357,-1.5179;-3.3508,.7757,-1.4381;.0661,-1.0624,1.7107;-.9233,-1.9665,-2.3767;-1.4486,2.5617,2.1215;1.0454,2.6899,1.8664;.5167,1.6011,-2.2578;2.012,-2.2061,.9104;1.9543,-.4483,.6849;3.325,-1.5363,-1.6537; 0.2186250 0.0786318 0.0724304 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= 761 761 761 761 761 MxSgAt= 43 MxSgA2= 43. 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= 754 RedAO= T EigKep= 1.19D-06 NBF= 754 NBsUse= 751 1.00D-06 EigRej= 7.39D-07 NBFU= 751 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= 761 761 761 761 761 MxSgAt= 43 MxSgA2= 43. 1 -7.89080264e-01 4.14581875e-01 4.35974623e-01 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 17 17 17 17 9 9 9 8 8 8 7 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 1 1 1 1 1 1 1 1 1 1 1 1 1 1 -0.005712467 -0.002900244 -0.012854201 -0.004438293 0.009094766 0.010702587 0.011734893 -0.005116514 0.007035025 -0.003445808 -0.005606594 -0.012937538 0.009169136 0.005594281 0.009859643 -0.004309256 -0.014897646 0.006413808 0.007773945 -0.002500102 -0.012647268 -0.003408807 0.011137973 -0.002188077 -0.008005330 0.001496557 -0.008870245 0.005914946 0.000406408 0.009067865 -0.002155834 0.007623845 0.009291615 -0.003406040 0.001228643 0.002158087 -0.010684644 -0.003308848 -0.003629641 -0.002774785 0.007574079 0.009333143 0.004433245 -0.004178285 0.001403498 0.003915220 0.000048018 0.003142089 0.003411109 -0.002273827 -0.002514307 0.002731054 -0.006446078 -0.004291684 -0.006457122 0.004593633 -0.001065157 0.002160567 -0.003967441 -0.004471823 0.003151397 0.000569405 0.004095183 -0.002423132 -0.000995728 -0.004225030 -0.000809588 0.001152233 -0.001309764 0.001222480 -0.004204790 -0.005006130 0.006592106 -0.001863833 0.006798742 -0.008573670 0.008985877 -0.002630003 0.003966552 -0.006302307 -0.005484682 -0.000422945 0.003358810 0.002874873 -0.003931204 0.004455003 0.002226675 0.000700974 0.001388412 0.000502528 -0.001102731 -0.001305413 -0.000611550 0.000195806 0.001489540 -0.000485013 0.002172243 -0.000966569 0.000586926 0.000190556 -0.001582239 0.000017831 0.001038250 -0.001185990 -0.001860025 0.000077596 0.000249012 0.000436490 0.000613344 -0.000547753 -0.000017357 -0.000949212 0.000833837 -0.000145183 0.001595389 -0.001045890 0.000035803 0.002029163 -0.000978966 0.000370042 0.000059737 0.001037413 -0.000428017 -0.000618434 -0.000780624 0.000879387 -0.001220407 0.000637932 0.000440853 0.014897646 0.005001164 (Enter /usr/local/gaussian/gaussian16/g16/l716.exe) Closed 1 1 1 -3115.56361993186 -3115.56362140494 -0.000001473082 -3115.56362138972 0.000000015223 -3115.56362142498 -0.000000035260 -3115.56362142635 -0.000000001366 -3115.56362142667 -0.000000000325 -3115.56362142698 -0.000000000312 -3115.56362142722 -0.000000000236 -3115.56362142669 0.000000000524 -3115.56362143 9 3.106576321900e+03 -1.482262169616e+04 4.870039897860e+03 Using DIIS extrapolation, IDIIS= 1040. NGot= 1415577600 LenX= 1414336960 LenY= 1413723088 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) PT272464.800S Tue Sep 3 04:16:29 2024 Mulliken charges: 1 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 Cl Cl Cl Cl F F F O O O N C C C C C C C C C C C C C C C C C C H H H H H H H H H H H H H H -0.184287 0.249007 0.609014 0.314490 -0.060052 -0.018967 -0.032512 -0.033536 0.093045 0.044363 0.071366 -0.395277 -0.230377 -0.166593 -1.436683 0.321221 1.257009 0.117381 -0.583866 0.206024 -0.244919 -0.496575 -0.398200 -0.347288 -0.106440 0.807186 -0.674600 -0.299233 -0.718815 0.188187 0.158739 0.158965 0.174015 0.165921 0.207279 0.139031 0.150540 0.143656 0.151983 0.146158 0.196973 0.181349 0.175318 -0.00000 -101.58070 -101.57721 -101.57138 -101.56592 -24.72781 -24.72547 -24.72100 -19.18184 -19.18011 -19.16045 -14.33528 -10.44494 -10.29955 -10.29539 -10.26509 -10.26209 -10.26106 -10.26035 -10.25742 -10.24307 -10.23943 -10.23738 -10.22500 -10.21991 -10.21101 -10.20822 -10.20502 -10.20077 -10.19110 -9.49516 -9.49155 -9.48619 -9.48063 -7.25997 -7.25659 -7.25085 -7.24984 -7.24956 -7.24607 -7.24588 -7.24537 -7.24101 -7.24054 -7.23553 -7.23483 -1.33029 -1.24508 -1.23913 -1.10493 -1.09951 -1.07794 -0.97261 -0.93268 -0.91752 -0.89042 -0.85341 -0.85209 -0.84557 -0.82528 -0.80951 -0.79699 -0.76433 -0.75795 -0.73208 -0.71596 -0.70017 -0.67489 -0.66002 -0.63574 -0.62612 -0.61395 -0.60878 -0.60397 -0.59454 -0.58128 -0.56966 -0.55897 -0.54318 -0.53803 -0.52841 -0.51761 -0.51003 -0.49615 -0.48994 -0.48684 -0.48111 -0.48090 -0.47808 -0.47569 -0.46803 -0.45976 -0.45560 -0.45050 -0.44738 -0.44586 -0.44498 -0.43424 -0.42792 -0.42685 -0.41890 -0.41438 -0.40971 -0.40759 -0.40129 -0.39501 -0.38205 -0.38054 -0.37324 -0.36599 -0.36084 -0.35339 -0.35070 -0.34277 -0.33402 -0.32799 -0.32650 -0.32102 -0.31479 -0.30427 -0.29654 -0.26967 -0.26792 -0.26441 -0.24153 -0.05993 -0.04916 -0.04576 -0.03209 -0.02387 -0.02269 -0.01910 -0.00671 0.00240 0.00516 0.01000 0.01082 0.01616 0.01797 0.02368 0.02918 0.03086 0.03534 0.03811 0.04277 0.04724 0.05176 0.05316 0.05499 0.06468 0.06599 0.07023 0.07294 0.07512 0.07682 0.07888 0.08440 0.08511 0.08966 0.09362 0.09568 0.09953 0.10100 0.10197 0.10328 0.10698 0.10752 0.11032 0.11527 0.11921 0.11988 0.12111 0.12476 0.12707 0.12752 0.13007 0.13123 0.13509 0.13874 0.13908 0.14224 0.14628 0.14864 0.14944 0.15532 0.15644 0.15978 0.16265 0.16453 0.16718 0.17002 0.17167 0.17296 0.17425 0.17613 0.17802 0.18222 0.18470 0.18785 0.19030 0.19278 0.19405 0.19721 0.19967 0.20198 0.20729 0.20883 0.20927 0.21132 0.21357 0.21670 0.21809 0.22302 0.22508 0.22823 0.22939 0.23206 0.23622 0.23728 0.23920 0.24361 0.24443 0.24586 0.24746 0.25214 0.25444 0.25688 0.25782 0.26005 0.26190 0.26383 0.26878 0.27031 0.27561 0.27846 0.28198 0.28613 0.28895 0.29321 0.29691 0.29944 0.30139 0.30405 0.30775 0.31192 0.31246 0.31394 0.32009 0.32579 0.32998 0.33199 0.33390 0.33567 0.33815 0.34101 0.34689 0.34922 0.35112 0.35551 0.35818 0.36337 0.36634 0.36916 0.37084 0.37460 0.37624 0.38055 0.38260 0.39093 0.39573 0.40179 0.40798 0.41198 0.41499 0.41636 0.42842 0.43178 0.43569 0.44096 0.44149 0.44523 0.45182 0.45410 0.45865 0.46637 0.47721 0.48148 0.48980 0.49009 0.49262 0.49745 0.50198 0.50518 0.51149 0.51498 0.52050 0.52345 0.52451 0.52824 0.53534 0.53833 0.54298 0.54673 0.55071 0.55429 0.56088 0.56575 0.57943 0.58064 0.59105 0.59648 0.59933 0.60052 0.60751 0.60872 0.61997 0.62238 0.62650 0.62861 0.63209 0.63950 0.64237 0.64425 0.65215 0.65354 0.66240 0.66707 0.66986 0.67348 0.67731 0.68029 0.69004 0.69831 0.70206 0.70562 0.70851 0.70986 0.71380 0.71910 0.72458 0.72551 0.73195 0.73570 0.74029 0.74277 0.74860 0.75742 0.76132 0.76396 0.76661 0.77114 0.78219 0.78651 0.78711 0.79465 0.80813 0.81250 0.81895 0.82432 0.84090 0.84430 0.84900 0.85541 0.86087 0.87218 0.87685 0.87970 0.88290 0.89049 0.89815 0.90061 0.90509 0.90965 0.91383 0.91775 0.92706 0.92860 0.93345 0.93592 0.94280 0.94972 0.95069 0.95486 0.96004 0.97032 0.97409 0.97853 0.98657 0.99033 0.99685 1.00447 1.00785 1.00924 1.01197 1.01664 1.02247 1.03659 1.04045 1.04655 1.05657 1.06428 1.07148 1.08110 1.08425 1.09199 1.10183 1.10487 1.12574 1.12771 1.12958 1.13871 1.14454 1.15280 1.15636 1.17404 1.18072 1.18980 1.19779 1.19902 1.20487 1.21691 1.21978 1.22458 1.23181 1.25300 1.26293 1.27249 1.28556 1.29318 1.29950 1.31613 1.32070 1.33024 1.33376 1.34337 1.34740 1.36533 1.37167 1.38054 1.39276 1.39862 1.41177 1.42389 1.43059 1.43501 1.44348 1.46351 1.47405 1.47680 1.48308 1.48962 1.49362 1.50354 1.51202 1.51765 1.52919 1.53274 1.53614 1.55043 1.55189 1.56335 1.56950 1.57044 1.57897 1.58844 1.59317 1.59811 1.60231 1.60754 1.61262 1.61467 1.62272 1.62780 1.64166 1.64268 1.64825 1.65965 1.66684 1.67843 1.68680 1.68953 1.69788 1.70019 1.70703 1.71436 1.72211 1.72545 1.73967 1.75262 1.76360 1.76511 1.76958 1.77890 1.78814 1.79221 1.80276 1.80946 1.81433 1.82712 1.83464 1.84467 1.85180 1.87137 1.87297 1.88010 1.89304 1.90770 1.91095 1.92535 1.93095 1.94374 1.95831 1.96421 1.97426 1.98075 1.99094 2.00003 2.00793 2.00966 2.01935 2.02744 2.03715 2.04495 2.05312 2.06939 2.08237 2.09191 2.10227 2.11331 2.12443 2.13056 2.14567 2.15065 2.15586 2.17103 2.17723 2.19707 2.20859 2.21354 2.22899 2.24833 2.25016 2.26170 2.26532 2.26737 2.28649 2.29634 2.29969 2.30881 2.31648 2.32886 2.33208 2.33878 2.35673 2.36629 2.37331 2.37460 2.39927 2.42032 2.46147 2.46861 2.47066 2.48092 2.48924 2.50342 2.52283 2.52735 2.53891 2.54312 2.55831 2.56250 2.56664 2.57721 2.58438 2.60961 2.61917 2.62194 2.63862 2.64408 2.66455 2.67567 2.69371 2.71038 2.71493 2.72282 2.73260 2.74353 2.76418 2.77105 2.77519 2.78285 2.78883 2.79863 2.80092 2.80860 2.81930 2.82324 2.83804 2.84695 2.85327 2.86071 2.86851 2.88626 2.90132 2.90799 2.91476 2.91842 2.93725 2.94155 2.95432 2.96896 2.97358 2.97927 2.98247 3.00807 3.04841 3.05692 3.07050 3.08315 3.09428 3.11200 3.11779 3.14651 3.15258 3.16456 3.17050 3.17728 3.19408 3.20712 3.21643 3.23627 3.24513 3.24668 3.26244 3.29753 3.32509 3.36095 3.36798 3.37804 3.40558 3.42124 3.45701 3.48676 3.49244 3.53319 3.54316 3.62306 3.70126 3.70749 3.71723 3.73531 3.74182 3.74893 3.76668 3.76946 3.77448 3.78078 3.78726 3.80004 3.81728 3.84337 3.86921 3.87509 3.90683 3.92853 3.96073 3.96679 4.00088 4.02330 4.06099 4.06280 4.08521 4.09987 4.10792 4.12160 4.15952 4.18455 4.19827 4.19898 4.21755 4.25685 4.32974 4.44169 4.50278 4.71138 4.82597 4.91620 4.94132 5.09670 5.13150 5.18685 5.21441 5.37689 5.42264 5.43569 5.74053 5.82843 5.84592 6.35380 6.36783 6.39540 6.40148 6.42616 6.46046 6.51375 6.72598 6.77047 9.76010 9.78871 9.81801 9.86454 23.49444 23.53271 23.55767 23.72168 23.83689 23.86482 23.87459 23.88881 23.91410 23.92259 23.95711 23.96103 23.99735 24.06068 24.06268 24.13041 24.13224 24.19323 25.84779 25.90451 25.91642 25.97736 26.03127 26.07556 26.25716 26.29109 26.51525 26.55311 26.81900 26.91687 35.67751 49.95603 49.97564 49.99441 66.75738 66.77844 66.83397 215.75087 215.78276 215.81796 215.87380 1-A. Mulliken charges: 1 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 Cl Cl Cl Cl F F F O O O N C C C C C C C C C C C C C C C C C C H H H H H H H H H H H H H H -0.259144 0.275078 0.600100 0.324086 -0.060257 -0.022674 -0.030247 -0.042184 0.044918 0.045462 0.091110 -0.422764 -0.210705 -0.154848 -1.361139 0.398997 1.242177 0.019046 -0.551393 0.187118 -0.269789 -0.316655 -0.293655 -0.341374 -0.277684 0.760471 -0.852314 -0.157927 -0.751609 0.190557 0.159469 0.162798 0.175162 0.168325 0.212705 0.143298 0.152683 0.144449 0.155140 0.154192 0.197758 0.191668 0.179598 -0.00000 -9.09965353e-01 5.57770195e-01 3.32090565e-01 ./ancestor::cml:module[@dictRef='cc:finalization']/cml:molecule[@id='mol9999'] -2.3129 1.4177 0.8441 2.8411 -200.4343 -201.0060 -191.1723 -13.2293 0.0496 3.9880 -2.8968 -3.4684 6.3652 -13.2293 0.0496 3.9880 -86.7168 22.4687 -2.1665 15.7095 49.8873 -8.8742 25.0821 18.5522 7.2222 5.4651 -12855.7580 -3616.6146 -2162.1173 -112.4342 -109.7754 26.2538 7.0481 -16.8363 22.4680 -2903.6736 -2508.5687 -938.4365 10.9904 14.9598 11.9181 (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A) (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A) (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A) (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(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 -3115.5636214 3.916E-9 5.774E-6 7.2128782,-10.1955542,2.982676,4.1460656,0.4263472,4.7505376 C01 [X(C18H14Cl4F3N1O3)] -1.1051238 0.0050151 -0.167645 0.000001358 -0.000000880 -0.000003840 -0.000002006 -0.000000916 0.000000261 0.000003626 -0.000003840 0.000002866 -0.000004029 -0.000006857 -0.000005656 -0.000004860 0.000000699 0.000006035 -0.000000470 -0.000002384 -0.000003777 0.000007886 0.000003391 -0.000012818 -0.000022055 -0.000013846 -0.000007140 -0.000009781 0.000015469 0.000014344 0.000000094 -0.000013424 -0.000003155 0.000002415 0.000000883 0.000005238 -0.000002811 -0.000004074 0.000001229 0.000010474 0.000020812 0.000004766 -0.000000585 -0.000016710 -0.000010764 0.000016874 0.000001160 0.000002027 -0.000005389 0.000002395 -0.000004603 0.000003943 0.000005053 0.000006768 0.000006200 -0.000006406 -0.000009156 0.000001613 0.000003118 -0.000002062 0.000001352 -0.000004748 0.000001325 -0.000002619 0.000001517 -0.000000432 -0.000005214 0.000005502 0.000001372 -0.000000867 0.000000027 0.000000420 0.000003688 -0.000005671 0.000000932 0.000003161 0.000002861 0.000001059 -0.000004885 0.000002946 0.000005702 -0.000001079 0.000008380 0.000012343 0.000001299 0.000006497 -0.000000198 0.000005500 0.000004727 -0.000001802 0.000001176 -0.000000789 0.000000212 -0.000000610 -0.000003769 0.000002027 -0.000004785 -0.000001323 -0.000000594 -0.000002022 -0.000002238 0.000000586 -0.000002244 0.000001682 0.000004172 -0.000000135 -0.000001853 0.000002130 -0.000001185 0.000002088 -0.000000377 0.000000790 -0.000000174 0.000000175 0.000001006 -0.000000103 -0.000000967 0.000000459 -0.000000123 -0.000000942 0.000001076 -0.000000706 -0.000000289 0.000000675 0.000002789 -0.000002577 -0.000000300 -0.000005252 -0.000003656 0.000003265 0.000004089 -0.000001182 477.0047095999997 AuxInfo=1/0/N:12;13;14;15;16;17;18;19;20;21;22;23;24;25;26;27;28;29;1;2;3;4;5;6;7;11;8;9;10;30;31;32;33;34;35;36;37;38;39;40;41;42;43/rA:43nCl0Cl0Cl0Cl0F0F0F0O0O0O0N0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:-2.0364,1.5694,-3.0009;-1.7486,4.1569,1.8003;5.8073,-2.1402,.3591;4.1918,-2.023,-2.092;1.6615,-2.5823,1.8251;.4508,-4.3165,1.3186;1.4983,-3.2391,-.2485;-3.0029,3.4443,-.7695;-3.6832,.1518,.3027;1.7841,.8781,.3571;-1.838,-.4706,1.548;-4.7811,2.2725,.5482;-4.2516,2.7129,-.8153;-3.9492,1.2093,1.255;-1.8426,2.7689,-.5449;-1.2622,1.8803,-1.456;-1.1043,3.0269,.6265;-2.592,-.6135,.4668;.6198,1.4825,-.0123;-.0561,1.2275,-1.203;.1003,2.4043,.8989;-2.3138,-1.5353,-.5623;-.3888,-2.185,.7088;-1.1988,-2.3315,-.4292;-.751,-1.2426,1.6604;.7998,-3.0715,.9064;2.3977,-.0227,-.5639;3.6045,-.592,.1168;4.4267,-1.4621,-.4548;-4.8652,3.136,1.2141;-5.7942,1.8898,.3784;-4.946,3.4215,-1.2669;-4.1592,1.8524,-1.477;-4.4888,.7842,2.1056;-3.0076,1.6028,1.6264;.324,.54,-1.9429;.6328,2.6049,1.818;-2.964,-1.5856,-1.425;-.9399,-3.0526,-1.1954;-.1452,-1.0936,2.5469;2.6744,.5071,-1.4849;1.7029,-.8263,-.8353;3.7864,-.2846,1.1388; Gaussian 16 GINC-DEPAZ23 ALCAMI Optimization Pyridalyl CONF66 gas EM64L-G16RevC.01 123 C1[X(C18H14Cl4F3NO3)] RB3LYP 6-311+G(d,p) Freq #P Geom=AllCheck Guess=TCheck SCRF=Check GenChk RB3LYP/6-311+G(d,p) Freq 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 477.0047095999997 AuxInfo=1/0/N:12;13;14;15;16;17;18;19;20;21;22;23;24;25;26;27;28;29;1;2;3;4;5;6;7;11;8;9;10;30;31;32;33;34;35;36;37;38;39;40;41;42;43/rA:43nCl0Cl0Cl0Cl0F0F0F0O0O0O0N0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:-2.0364,1.5694,-3.0009;-1.7486,4.1569,1.8003;5.8073,-2.1402,.3591;4.1918,-2.023,-2.092;1.6616,-2.5823,1.8251;.4508,-4.3165,1.3186;1.4983,-3.2391,-.2485;-3.0029,3.4443,-.7695;-3.6832,.1518,.3027;1.7841,.8781,.3571;-1.838,-.4706,1.548;-4.7811,2.2725,.5482;-4.2516,2.7129,-.8153;-3.9492,1.2093,1.255;-1.8426,2.7689,-.5449;-1.2622,1.8803,-1.456;-1.1043,3.0269,.6265;-2.592,-.6135,.4668;.6198,1.4825,-.0123;-.0561,1.2275,-1.203;.1003,2.4043,.8989;-2.3138,-1.5353,-.5623;-.3888,-2.185,.7088;-1.1988,-2.3315,-.4292;-.751,-1.2426,1.6604;.7998,-3.0715,.9064;2.3977,-.0227,-.5639;3.6045,-.592,.1168;4.4267,-1.4621,-.4548;-4.8652,3.136,1.2141;-5.7942,1.8898,.3784;-4.946,3.4215,-1.2669;-4.1592,1.8524,-1.477;-4.4888,.7842,2.1056;-3.0076,1.6028,1.6264;.324,.54,-1.9429;.6328,2.6049,1.818;-2.964,-1.5856,-1.425;-.9399,-3.0526,-1.1954;-.1452,-1.0936,2.5469;2.6744,.5071,-1.4849;1.7029,-.8263,-.8353;3.7864,-.2846,1.1388; Optimization Pyridalyl CONF66 gas Redundant internal coordinates found in file. (old form). 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 35 35 35 35 19 19 19 16 16 16 14 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 1 1 1 1 1 1 1 1 1 1 1 1 1 1 34.9688527 34.9688527 34.9688527 34.9688527 18.9984033 18.9984033 18.9984033 15.9949146 15.9949146 15.9949146 14.0030740 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 3 3 3 3 1 1 1 0 0 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 14.2400000 14.2400000 14.2400000 14.2400000 6.7500000 6.7500000 6.7500000 5.6000000 5.6000000 5.6000000 4.5500000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 (Enter /usr/local/gaussian/gaussian16/g16/l101.exe) Structure from the checkpoint file: "opt-b3lyp-pople.chk" Berny optimization. R1 R2 R3 R4 R5 R6 R7 R8 R9 R10 R11 R12 R13 R14 R15 R16 R17 R18 R19 R20 R21 R22 R23 R24 R25 R26 R27 R28 R29 R30 R31 R32 R33 R34 R35 R36 R37 R38 R39 R40 R41 R42 R43 R44 1 2 3 4 5 6 7 8 8 9 9 10 10 11 11 12 12 12 12 13 13 14 14 15 15 16 17 18 19 19 20 21 22 22 23 23 23 24 25 27 27 27 28 28 16 17 29 29 26 26 26 13 15 14 18 19 27 18 25 13 14 30 31 32 33 34 35 16 17 20 21 22 20 21 36 37 24 38 24 25 26 39 40 28 41 42 29 43 1.7558 1.7521 1.7402 1.7465 1.3513 1.3571 1.3601 1.4479 1.3612 1.4477 1.3429 1.3629 1.4269 1.3259 1.3379 1.5275 1.5238 1.0937 1.0962 1.09 1.0894 1.0933 1.0861 1.3989 1.4085 1.3946 1.383 1.4092 1.3926 1.3964 1.0792 1.081 1.3766 1.0814 1.4045 1.3874 1.4959 1.0835 1.084 1.498 1.098 1.0964 1.3266 1.0826 calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically A1 A2 A3 A4 A5 A6 A7 A8 A9 A10 A11 A12 A13 A14 A15 A16 A17 A18 A19 A20 A21 A22 A23 A24 A25 A26 A27 A28 A29 A30 A31 A32 A33 A34 A35 A36 A37 A38 A39 A40 A41 A42 A43 A44 A45 A46 A47 A48 A49 A50 A51 A52 A53 A54 A55 A56 A57 A58 A59 A60 A61 A62 A63 A64 A65 A66 A67 A68 A69 A70 A71 A72 A73 13 14 19 18 13 13 13 14 14 30 8 8 8 12 12 32 9 9 9 12 12 34 8 8 16 1 1 15 2 2 15 9 9 11 10 10 20 16 16 19 17 17 19 18 18 24 24 24 25 22 22 23 11 11 23 5 5 5 6 6 7 10 10 10 28 28 41 27 27 29 3 3 4 8 9 10 11 12 12 12 12 12 12 13 13 13 13 13 13 14 14 14 14 14 14 15 15 15 16 16 16 17 17 17 18 18 18 19 19 19 20 20 20 21 21 21 22 22 22 23 23 23 24 24 24 25 25 25 26 26 26 26 26 26 27 27 27 27 27 27 28 28 28 29 29 29 15 18 27 25 14 30 31 30 31 31 12 32 33 32 33 33 12 34 35 34 35 35 16 17 17 15 20 20 15 21 21 11 22 22 20 21 21 19 36 36 19 37 37 24 38 38 25 26 26 23 39 39 23 40 40 6 7 23 7 23 23 28 41 42 41 42 42 29 43 43 4 28 28 119.3241 119.03 118.1854 117.9238 115.2099 110.0319 106.4234 108.0849 109.4389 107.3899 114.603 103.5355 110.1849 109.6576 110.1099 108.4202 107.7523 108.5687 109.2874 111.268 112.2823 107.6157 124.1572 119.5506 116.1356 120.1706 117.27 122.5505 118.8465 118.5992 122.544 120.0195 116.3562 123.6222 124.4144 115.7019 119.8817 119.2862 118.5814 122.1323 119.5149 120.8652 119.6046 117.8803 119.6258 122.4883 118.4288 120.2315 121.2867 119.0203 120.6732 120.3017 123.1212 116.3193 120.5586 106.838 107.1239 112.4587 106.0749 112.2989 111.6473 107.0371 110.1924 110.4837 111.1941 110.1508 107.804 123.5561 117.1572 119.2681 114.834 123.0752 122.0896 calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically D1 D2 D3 D4 D5 D6 D7 D8 D9 D10 D11 D12 D13 D14 D15 D16 D17 D18 D19 D20 D21 D22 D23 D24 D25 D26 D27 D28 D29 D30 D31 D32 D33 D34 D35 D36 D37 D38 D39 D40 D41 D42 D43 D44 D45 D46 D47 D48 D49 D50 D51 D52 D53 D54 D55 D56 D57 D58 D59 D60 D61 D62 D63 D64 D65 D66 D67 D68 D69 D70 D71 D72 D73 D74 D75 D76 D77 D78 D79 D80 D81 D82 D83 D84 D85 D86 D87 D88 D89 D90 D91 D92 D93 15 15 15 13 13 18 18 18 14 14 27 27 19 19 19 25 25 18 18 14 14 14 30 30 30 31 31 31 13 13 13 30 30 30 31 31 31 8 8 17 17 8 8 16 16 1 1 15 15 2 2 15 15 9 9 11 11 10 10 21 21 10 10 20 20 18 18 38 38 25 25 26 26 24 24 26 26 24 24 24 25 25 25 10 10 41 41 42 42 27 27 43 43 8 8 8 8 8 9 9 9 9 9 10 10 10 10 10 11 11 11 11 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 15 15 15 15 15 15 15 15 16 16 16 16 17 17 17 17 18 18 18 18 19 19 19 19 19 19 19 19 22 22 22 22 23 23 23 23 23 23 23 23 23 23 23 23 23 23 27 27 27 27 27 27 28 28 28 28 13 13 13 15 15 14 14 14 18 18 19 19 27 27 27 18 18 25 25 13 13 13 13 13 13 13 13 13 14 14 14 14 14 14 14 14 14 16 16 16 16 17 17 17 17 20 20 20 20 21 21 21 21 22 22 22 22 20 20 20 20 21 21 21 21 24 24 24 24 24 24 24 24 25 25 25 25 26 26 26 26 26 26 28 28 28 28 28 28 29 29 29 29 12 32 33 16 17 12 34 35 11 22 20 21 28 41 42 9 22 23 40 8 32 33 8 32 33 8 32 33 9 34 35 9 34 35 9 34 35 1 20 1 20 2 21 2 21 19 36 19 36 19 37 19 37 24 38 24 38 16 36 16 36 17 37 17 37 23 39 23 39 22 39 22 39 11 40 11 40 5 6 7 5 6 7 29 43 29 43 29 43 3 4 3 4 75.4832 -165.1243 -49.3531 68.9915 -115.7394 154.2343 -85.1466 31.9692 5.6639 -173.8256 3.645 -176.8729 -177.0206 61.9427 -57.0804 -179.1427 0.308 -0.5671 179.0925 -67.8347 176.258 57.0412 54.6344 -61.2729 179.5102 170.6821 54.7748 -64.442 -48.5765 -167.485 71.821 -172.0819 69.0096 -51.6844 71.2604 -47.6481 -168.3422 -0.3063 178.5835 -175.7225 3.1673 3.0222 -178.1631 178.6623 -2.523 177.5793 -2.2629 -1.3408 178.817 178.8756 0.3018 0.0581 -178.5157 179.7018 0.539 0.2327 -178.9301 178.1648 -1.9988 -1.297 178.5394 -177.5917 1.0002 1.9155 -179.4925 -0.5177 -179.729 178.6195 -0.5918 0.2841 179.4984 177.6699 -3.1158 0.2771 -179.3686 -177.0799 3.2744 163.1259 -76.3234 42.6725 -19.5643 100.9864 -140.0177 -179.3335 2.2456 -58.9336 122.6454 60.5132 -117.9078 -178.7179 0.8568 -0.3285 179.2462 calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|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. 0.00129 0.00169 0.00335 0.00480 0.00589 0.00815 0.01284 0.01349 0.01546 0.01623 0.01646 0.01707 0.01910 0.01968 0.02177 0.02249 0.02411 0.02475 0.02560 0.02672 0.02827 0.02934 0.02975 0.03081 0.03250 0.03581 0.03823 0.04287 0.04317 0.04742 0.04951 0.05762 0.05914 0.05989 0.06221 0.07439 0.07636 0.08547 0.09524 0.10017 0.10246 0.10720 0.10819 0.11021 0.11263 0.11831 0.11923 0.11999 0.12610 0.13057 0.13080 0.13242 0.13897 0.14157 0.15735 0.15776 0.16260 0.17269 0.18714 0.18886 0.19059 0.19438 0.20125 0.20426 0.20996 0.21090 0.21396 0.22303 0.22770 0.23116 0.23629 0.23720 0.24763 0.25244 0.25729 0.26097 0.26408 0.26753 0.26942 0.28331 0.28489 0.29083 0.30720 0.31278 0.31692 0.32001 0.32098 0.32478 0.32728 0.32777 0.33354 0.33727 0.34195 0.34334 0.34410 0.35190 0.35389 0.35552 0.35859 0.36099 0.36231 0.36501 0.36629 0.37303 0.38360 0.38622 0.40893 0.42059 0.42374 0.43593 0.44197 0.46493 0.47124 0.47476 0.48673 0.49904 0.51810 0.53233 0.54529 0.57338 0.62916 0.66503 3.60494 Angle between quadratic step and forces= 77.10 degrees. 1 2 3 0.00123227 0.00000153 0.00000000 0.00000090 0.00000000 0.00000000 R1 R2 R3 R4 R5 R6 R7 R8 R9 R10 R11 R12 R13 R14 R15 R16 R17 R18 R19 R20 R21 R22 R23 R24 R25 R26 R27 R28 R29 R30 R31 R32 R33 R34 R35 R36 R37 R38 R39 R40 R41 R42 R43 R44 A1 A2 A3 A4 A5 A6 A7 A8 A9 A10 A11 A12 A13 A14 A15 A16 A17 A18 A19 A20 A21 A22 A23 A24 A25 A26 A27 A28 A29 A30 A31 A32 A33 A34 A35 A36 A37 A38 A39 A40 A41 A42 A43 A44 A45 A46 A47 A48 A49 A50 A51 A52 A53 A54 A55 A56 A57 A58 A59 A60 A61 A62 A63 A64 A65 A66 A67 A68 A69 A70 A71 A72 A73 D1 D2 D3 D4 D5 D6 D7 D8 D9 D10 D11 D12 D13 D14 D15 D16 D17 D18 D19 D20 D21 D22 D23 D24 D25 D26 D27 D28 D29 D30 D31 D32 D33 D34 D35 D36 D37 D38 D39 D40 D41 D42 D43 D44 D45 D46 D47 D48 D49 D50 D51 D52 D53 D54 D55 D56 D57 D58 D59 D60 D61 D62 D63 D64 D65 D66 D67 D68 D69 D70 D71 D72 D73 D74 D75 D76 D77 D78 D79 D80 D81 D82 D83 D84 D85 D86 D87 D88 D89 D90 D91 D92 D93 3.31791 3.31098 3.28849 3.30040 2.55352 2.56451 2.57016 2.73607 2.57228 2.73568 2.53764 2.57547 2.69653 2.50566 2.52833 2.88661 2.87965 2.06683 2.07146 2.05986 2.05869 2.06608 2.05236 2.64347 2.66174 2.63532 2.61349 2.66304 2.63172 2.63888 2.03930 2.04285 2.60138 2.04364 2.65406 2.62177 2.82689 2.04755 2.04851 2.83076 2.07485 2.07197 2.50694 2.04577 2.08260 2.07747 2.06272 2.05816 2.01079 1.92042 1.85744 1.88644 1.91007 1.87431 2.00020 1.80703 1.92309 1.91389 1.92178 1.89229 1.88063 1.89488 1.90743 1.94199 1.95969 1.87825 2.16695 2.08655 2.02695 2.09737 2.04675 2.13891 2.07426 2.06995 2.13880 2.09474 2.03080 2.15761 2.17144 2.01938 2.09233 2.08194 2.06963 2.13161 2.08593 2.10950 2.08749 2.05740 2.08786 2.13782 2.06697 2.09843 2.11685 2.07730 2.10615 2.09966 2.14887 2.03016 2.10414 1.86467 1.86966 1.96277 1.85136 1.95999 1.94861 1.86815 1.92322 1.92830 1.94070 1.92249 1.88154 2.15646 2.04478 2.08162 2.00423 2.14807 2.13086 1.31743 -2.88196 -0.86137 1.20413 -2.02003 2.69190 -1.48609 0.55797 0.09885 -3.03383 0.06362 -3.08701 -3.08959 1.08110 -0.99624 -3.12663 0.00537 -0.00990 3.12575 -1.18394 3.07628 0.99556 0.95355 -1.06941 3.13304 2.97897 0.95600 -1.12473 -0.84782 -2.92317 1.25351 -3.00340 1.20444 -0.90206 1.24373 -0.83162 -2.93812 -0.00535 3.11687 -3.06694 0.05528 0.05275 -3.10953 3.11825 -0.04403 3.09934 -0.03949 -0.02340 3.12094 3.12197 0.00527 0.00101 -3.11569 3.13639 0.00941 0.00406 -3.12292 3.10956 -0.03489 -0.02264 3.11610 -3.09956 0.01746 0.03343 -3.13274 -0.00904 -3.13686 3.11750 -0.01033 0.00496 3.13284 3.10093 -0.05438 0.00484 -3.13057 -3.09063 0.05715 2.84708 -1.33210 0.74478 -0.34146 1.76254 -2.44377 -3.12996 0.03919 -1.02859 2.14057 1.05615 -2.05788 -3.11922 0.01495 -0.00573 3.12844 0.00000 0.00000 0.00001 0.00001 0.00000 0.00000 0.00001 -0.00000 0.00002 -0.00002 0.00000 0.00001 -0.00000 0.00000 -0.00000 0.00001 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00001 0.00001 0.00001 0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00001 0.00000 0.00000 0.00001 0.00000 0.00001 0.00001 0.00000 0.00004 -0.00000 0.00002 -0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00003 -0.00001 -0.00001 -0.00001 -0.00001 0.00000 -0.00002 0.00001 0.00000 0.00000 0.00000 -0.00000 0.00001 -0.00000 -0.00000 0.00001 -0.00000 -0.00000 -0.00000 0.00000 0.00000 -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 0.00001 -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 -0.00001 -0.00000 -0.00000 0.00000 0.00001 0.00002 -0.00001 -0.00001 -0.00001 -0.00001 -0.00001 0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00001 0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00001 0.00001 0.00000 0.00000 0.00001 0.00000 -0.00000 0.00001 0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 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 0.00001 0.00001 -0.00001 -0.00001 -0.00000 -0.00000 -0.00001 -0.00001 0.00001 -0.00001 0.00000 -0.00001 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00001 0.00004 0.00000 -0.00007 0.00001 0.00010 -0.00007 0.00003 -0.00008 0.00003 0.00001 -0.00001 -0.00001 0.00001 0.00002 0.00001 -0.00000 0.00000 0.00001 0.00002 0.00001 0.00000 0.00001 0.00001 0.00002 -0.00000 -0.00000 0.00000 0.00001 0.00000 0.00000 -0.00000 -0.00000 0.00001 -0.00001 -0.00003 0.00001 -0.00001 0.00003 0.00005 -0.00003 0.00002 0.00001 0.00012 0.00005 0.00005 -0.00000 0.00001 -0.00001 -0.00000 0.00001 -0.00003 0.00001 0.00005 0.00003 0.00000 -0.00002 -0.00003 -0.00003 -0.00001 0.00003 0.00002 -0.00004 0.00001 -0.00002 -0.00004 0.00001 0.00002 -0.00000 0.00001 -0.00001 0.00000 0.00002 -0.00002 0.00000 -0.00002 0.00002 0.00001 -0.00001 0.00000 -0.00000 0.00001 -0.00000 0.00001 0.00000 -0.00002 -0.00001 0.00001 -0.00000 0.00002 -0.00011 0.00010 -0.00000 -0.00001 0.00002 -0.00002 0.00001 0.00000 0.00008 -0.00000 0.00005 -0.00007 -0.00004 -0.00002 -0.00002 -0.00007 0.00011 -0.00004 0.00002 0.00000 0.00001 0.00001 -0.00001 -0.00001 -0.00001 0.00001 0.00002 0.00004 0.00002 0.00024 0.00017 -0.00072 -0.00075 -0.00074 0.00032 0.00027 0.00142 0.00133 -0.00089 -0.00079 -0.00082 -0.00010 -0.00005 -0.00003 0.00002 -0.00011 -0.00016 -0.00009 -0.00009 -0.00014 -0.00007 -0.00007 -0.00012 -0.00006 0.00000 -0.00001 0.00003 -0.00001 -0.00002 0.00001 -0.00002 -0.00003 0.00001 -0.00013 -0.00013 -0.00007 -0.00006 0.00008 0.00013 0.00002 0.00007 0.00000 -0.00000 -0.00001 -0.00001 0.00004 -0.00001 -0.00001 -0.00006 0.00012 0.00011 0.00008 0.00006 -0.00002 -0.00001 0.00007 0.00008 0.00002 0.00007 -0.00007 -0.00002 -0.00002 -0.00004 0.00000 -0.00002 -0.00006 -0.00003 0.00006 0.00009 0.00009 0.00003 -0.00003 -0.00009 0.00211 0.00222 0.00209 0.00223 0.00234 0.00221 -0.00302 -0.00341 -0.00314 -0.00354 -0.00315 -0.00354 -0.00013 -0.00007 0.00027 0.00034 0.00000 -0.00001 0.00004 0.00000 -0.00007 0.00001 0.00010 -0.00007 0.00003 -0.00008 0.00003 0.00001 -0.00001 -0.00001 0.00001 0.00002 0.00001 -0.00000 0.00000 0.00001 0.00002 0.00001 0.00000 0.00001 0.00001 0.00002 -0.00000 -0.00000 0.00000 0.00001 0.00000 0.00000 -0.00000 -0.00000 0.00001 -0.00001 -0.00003 0.00001 -0.00001 0.00003 0.00005 -0.00003 0.00002 0.00001 0.00012 0.00005 0.00005 -0.00000 0.00001 -0.00001 -0.00000 0.00001 -0.00003 0.00001 0.00005 0.00003 0.00000 -0.00002 -0.00003 -0.00003 -0.00001 0.00003 0.00002 -0.00004 0.00001 -0.00002 -0.00004 0.00001 0.00002 -0.00000 0.00001 -0.00001 0.00000 0.00002 -0.00002 0.00000 -0.00002 0.00002 0.00001 -0.00001 0.00000 -0.00000 0.00001 -0.00000 0.00001 0.00000 -0.00002 -0.00001 0.00001 -0.00000 0.00002 -0.00011 0.00010 -0.00000 -0.00001 0.00002 -0.00002 0.00001 0.00000 0.00008 -0.00000 0.00005 -0.00007 -0.00004 -0.00002 -0.00002 -0.00007 0.00011 -0.00004 0.00002 0.00000 0.00001 0.00001 -0.00001 -0.00001 -0.00001 0.00001 0.00002 0.00004 0.00002 0.00024 0.00017 -0.00072 -0.00075 -0.00074 0.00032 0.00027 0.00142 0.00133 -0.00089 -0.00079 -0.00082 -0.00010 -0.00005 -0.00003 0.00002 -0.00011 -0.00016 -0.00009 -0.00009 -0.00014 -0.00007 -0.00007 -0.00012 -0.00006 0.00000 -0.00001 0.00003 -0.00001 -0.00002 0.00001 -0.00002 -0.00003 0.00001 -0.00013 -0.00013 -0.00007 -0.00006 0.00008 0.00013 0.00002 0.00007 0.00000 -0.00000 -0.00001 -0.00001 0.00004 -0.00001 -0.00001 -0.00006 0.00012 0.00011 0.00008 0.00006 -0.00002 -0.00001 0.00007 0.00008 0.00002 0.00007 -0.00007 -0.00002 -0.00002 -0.00004 0.00000 -0.00002 -0.00006 -0.00003 0.00006 0.00009 0.00009 0.00003 -0.00003 -0.00009 0.00211 0.00222 0.00209 0.00223 0.00234 0.00221 -0.00302 -0.00341 -0.00314 -0.00354 -0.00315 -0.00354 -0.00013 -0.00007 0.00027 0.00034 3.31791 3.31097 3.28852 3.30040 2.55346 2.56451 2.57026 2.73600 2.57231 2.73560 2.53767 2.57548 2.69651 2.50565 2.52835 2.88663 2.87966 2.06683 2.07146 2.05987 2.05871 2.06610 2.05237 2.64348 2.66175 2.63534 2.61349 2.66304 2.63172 2.63889 2.03930 2.04286 2.60138 2.04364 2.65406 2.62176 2.82686 2.04756 2.04850 2.83079 2.07490 2.07194 2.50696 2.04578 2.08272 2.07752 2.06278 2.05816 2.01080 1.92041 1.85744 1.88645 1.91003 1.87432 2.00025 1.80706 1.92309 1.91386 1.92175 1.89226 1.88063 1.89491 1.90744 1.94196 1.95971 1.87823 2.16692 2.08656 2.02697 2.09737 2.04676 2.13890 2.07426 2.06997 2.13878 2.09474 2.03078 2.15763 2.17145 2.01937 2.09233 2.08193 2.06964 2.13161 2.08594 2.10950 2.08748 2.05739 2.08788 2.13782 2.06699 2.09832 2.11695 2.07729 2.10613 2.09968 2.14885 2.03017 2.10415 1.86475 1.86966 1.96283 1.85128 1.95995 1.94860 1.86813 1.92315 1.92842 1.94066 1.92251 1.88154 2.15647 2.04479 2.08161 2.00423 2.14806 2.13088 1.31745 -2.88193 -0.86135 1.20437 -2.01986 2.69118 -1.48684 0.55723 0.09917 -3.03356 0.06503 -3.08569 -3.09049 1.08031 -0.99707 -3.12673 0.00532 -0.00993 3.12578 -1.18405 3.07612 0.99546 0.95346 -1.06955 3.13297 2.97889 0.95588 -1.12478 -0.84782 -2.92318 1.25354 -3.00341 1.20442 -0.90205 1.24371 -0.83165 -2.93812 -0.00548 3.11674 -3.06700 0.05522 0.05283 -3.10940 3.11827 -0.04397 3.09935 -0.03950 -0.02341 3.12093 3.12201 0.00526 0.00101 -3.11574 3.13651 0.00951 0.00414 -3.12286 3.10954 -0.03490 -0.02256 3.11618 -3.09954 0.01753 0.03337 -3.13275 -0.00905 -3.13691 3.11750 -0.01035 0.00490 3.13280 3.10099 -0.05429 0.00492 -3.13054 -3.09066 0.05706 2.84919 -1.32988 0.74686 -0.33923 1.76488 -2.44156 -3.13298 0.03578 -1.03172 2.13703 1.05301 -2.06142 -3.11935 0.01489 -0.00546 3.12878 |Maximum Force|RMS Force|Maximum Displacement|RMS Displacement| 0.000043 0.000006 0.006347 0.001233 0.000450 0.000300 0.001800 0.001200 YES YES NO NO -1.061492e-07 6-311+G(d,p) (5D, 7F) 0.10000e-02 0.10000e-05 F 783 A 754 A 754 1224 783 124 124 3730.5081202713 43 43 43 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 -0.0662653001 0.000000 5.461599 0.000000 9.304558 9.940923 0.000000 7.247272 9.414353 2.937928 0.000000 7.362173 7.552895 4.419455 4.696676 0.000000 7.712788 8.767412 5.860742 5.557589 2.174845 0.000000 6.571998 8.333086 4.488231 3.483161 2.181277 2.171083 0.000000 3.070606 2.946972 10.491921 9.132659 8.050391 8.747437 8.074646 0.000000 3.954143 4.693192 9.763472 8.513547 6.193456 6.171477 6.216871 3.528876 0.000000 5.133303 5.031248 5.029507 4.495746 3.760838 5.448410 4.171260 5.547121 5.515588 0.000000 4.989364 4.635259 7.915231 7.212373 4.096638 4.481260 4.692815 4.696238 2.311493 4.044340 0.000000 4.541291 3.783491 11.472654 10.292508 8.167449 8.448725 8.393030 2.504237 2.400637 6.714390 4.145668 0.000000 3.315324 3.897626 11.230024 9.764774 8.365170 8.722268 8.295091 1.447864 2.851722 6.416483 4.641753 1.527529 0.000000 4.679810 3.718691 10.354257 9.376909 6.795689 7.063842 7.191892 3.160571 1.447660 5.812639 2.713899 1.523845 2.576502 0.000000 2.740121 2.726743 9.134453 7.859464 6.821427 7.676948 6.880840 1.361191 3.309945 4.188355 3.856866 3.174279 2.424781 3.179623 0.000000 1.755763 4.002896 8.332834 6.736930 6.263253 7.002301 5.940199 2.438825 3.455773 3.683985 3.857829 4.068631 3.168710 3.875582 1.398866 0.000000 4.018860 1.752094 8.633635 7.806434 6.367787 7.538014 6.841123 2.393319 3.875780 3.610069 3.690522 3.754251 3.476107 3.434004 1.408532 2.382573 0.000000 4.134996 5.024560 8.537574 7.386086 4.879935 4.867870 4.912802 4.261791 1.342863 4.624609 1.325939 3.623236 3.932288 2.405354 3.609161 3.418270 3.935867 0.000000 3.999331 4.005908 6.338130 5.419698 4.580764 5.952078 4.808376 4.188814 4.515019 1.362879 3.505674 5.487067 5.088156 4.749348 2.828809 2.405058 2.401169 3.864968 0.000000 2.696519 4.523874 6.939787 5.422278 5.160773 6.111472 4.824636 3.712960 4.071843 2.437687 3.691414 5.146281 4.467566 4.604129 2.449658 1.394553 2.771900 3.550750 1.392647 0.000000 4.524505 2.702285 7.315325 6.729621 5.306714 6.742965 5.926107 3.673555 4.443383 2.336290 3.527498 4.895734 4.687513 4.237114 2.447958 2.770684 1.383001 4.067189 1.396438 2.413978 0.000000 3.957590 6.188830 8.195588 6.700882 4.753906 4.349249 4.187339 5.031269 2.338684 4.843823 2.411078 4.671123 4.676068 3.675467 4.329954 3.683843 4.867150 1.409222 4.244426 3.624979 4.845927 0.000000 5.529137 6.577226 6.206127 5.371488 2.368150 2.370665 2.364036 6.380246 4.059330 3.771946 2.396546 6.259958 6.421297 4.949296 5.312884 4.687795 5.261365 2.716993 3.871350 3.925579 4.619181 2.396532 0.000000 4.746792 6.882745 7.052911 5.649704 3.650558 3.117051 2.851442 6.060568 3.588113 4.451690 2.789424 5.914800 5.908847 4.789367 5.142229 4.335607 5.462194 2.386467 4.245869 3.817165 5.087173 1.376591 1.404466 0.000000 5.593461 5.492659 6.746093 6.254655 2.764456 3.318118 3.562161 5.739535 3.519266 3.552784 1.337937 5.462117 5.833451 4.050252 4.706105 4.441348 4.407021 2.282483 3.478891 3.844814 3.821533 2.732818 1.387381 2.398460 0.000000 6.696929 7.716399 5.122644 4.647090 1.351266 1.357079 1.360073 7.728179 5.554379 4.107238 3.759519 7.735184 7.870203 6.403074 6.572626 5.861120 6.394806 4.211800 4.649165 4.864452 5.520274 3.769866 1.495927 2.515151 2.513611 0.000000 5.304254 6.344294 4.118396 3.091176 3.577796 5.076444 3.354620 6.420984 6.144790 1.426940 4.754122 7.618380 7.194439 6.716329 5.076799 4.220387 4.793807 5.129145 2.393890 2.827079 3.648058 4.948363 3.749634 4.275926 4.043458 3.742992 0.000000 6.797950 7.351300 2.703317 2.696638 3.264141 5.026118 3.402492 7.793295 7.327918 2.352156 5.628832 8.871867 8.573796 7.848479 6.434677 5.680712 5.960567 6.206419 3.637115 4.295621 4.676436 6.031422 4.339921 5.137730 4.666496 3.825932 1.497975 0.000000 7.579237 8.648297 1.740193 1.746495 3.754810 5.205717 3.431570 8.909064 8.303533 3.622012 6.651341 9.986840 9.637111 8.956299 7.564025 6.673619 7.204981 7.129606 4.833112 5.281017 5.958168 6.741790 5.006551 5.692351 5.597351 4.194884 2.490127 1.326614 0.000000 5.312492 3.331518 11.936144 10.935086 8.698880 9.154795 9.125514 2.738211 3.336661 7.074331 4.720534 1.093718 2.161974 2.133792 3.516399 4.657113 3.808137 4.448012 5.858623 5.710719 5.028983 5.611205 6.971820 6.785023 6.024782 8.409513 8.117169 9.318698 10.500834 0.000000 5.063857 4.850579 12.281513 11.006073 8.813663 8.854488 8.937488 3.394850 2.735469 7.645562 4.753051 1.096169 2.117018 2.153022 4.152132 4.889219 4.832160 4.065523 6.438749 5.988729 5.939710 4.972793 6.777248 6.291988 6.073662 8.268862 8.464769 9.724368 10.788699 1.764779 0.000000 3.860378 4.491213 12.215105 10.668794 9.448011 9.781917 9.323565 2.005799 3.840492 7.375651 5.721195 2.154473 1.090030 3.499603 3.252338 3.997700 4.301067 4.982771 6.025880 5.359907 5.584773 5.656327 7.490220 6.916645 6.922451 8.938454 8.141612 9.546378 10.599812 2.498670 2.402579 0.000000 2.628372 4.675661 10.892285 9.226920 8.028098 8.192754 7.709642 2.090847 2.507160 6.295680 4.464850 2.159740 1.089412 2.814443 2.659919 2.897215 3.890556 3.509216 5.012014 4.159406 4.908376 3.964567 5.940791 5.231268 5.571106 7.383502 6.880535 8.293957 9.260000 3.064017 2.473250 1.767892 0.000000 5.718954 4.356255 10.844844 10.042549 7.016976 7.143907 7.587690 4.189257 2.073429 6.512664 2.985311 2.173964 3.508237 1.093324 4.238704 4.929264 4.321121 2.870010 5.574069 5.548999 5.013972 4.150595 5.251332 5.191948 4.275157 6.653801 7.429691 8.446898 9.543933 2.543123 2.431019 4.305579 3.752908 0.000000 4.728241 2.852871 9.660091 8.877182 6.273318 6.862387 6.874695 3.021866 2.076995 5.009634 2.381807 2.180983 2.956715 1.086065 2.726156 3.553190 2.578850 2.535605 3.982156 4.105776 3.290944 3.888281 4.695409 4.793285 3.631703 6.071486 6.054451 7.128488 8.306210 2.443703 3.066809 3.928921 3.319570 1.758862 0.000000 2.784033 5.602563 6.522946 4.642341 5.072987 5.851338 4.304788 4.569512 4.609900 2.745196 4.228714 5.938786 5.189352 5.379086 3.408342 2.132906 3.850479 3.954747 2.168577 1.079152 3.406089 3.629199 3.868440 3.585496 4.161313 4.624664 2.553084 4.035517 4.801542 6.605603 6.681514 6.044238 4.694498 6.293844 4.996881 0.000000 5.605294 2.842597 7.170720 7.026550 5.288190 6.941750 6.258725 4.540777 5.190561 2.538025 3.954321 5.570815 5.550153 4.822877 3.426137 3.851711 2.148329 4.752212 2.147133 3.390914 1.081031 5.611561 5.021679 5.724781 4.091815 5.751528 3.961378 4.684529 6.008297 5.556564 6.625003 6.427006 5.864008 5.443213 3.780687 4.301565 0.000000 3.646586 6.697442 8.968043 7.200130 5.740399 5.161932 4.902035 5.072579 2.553601 5.638261 3.368988 4.698960 4.528425 3.995509 4.581928 3.861273 5.379780 2.159204 4.924630 4.051959 5.541612 1.081446 3.397593 2.159579 3.812418 4.670065 5.650803 6.819811 7.455107 5.733512 4.831225 5.387435 3.640156 4.517283 4.413473 3.949346 6.404269 0.000000 5.081832 7.848868 6.983820 5.310264 4.013999 3.138667 2.622245 6.829871 4.476376 5.028002 3.872903 6.793475 6.659775 5.763970 5.926927 4.950263 6.348715 3.382490 4.939544 4.370380 5.936818 2.142623 2.163831 1.083519 3.386305 2.728466 4.551779 5.331853 5.646120 7.714425 7.104086 7.613653 5.873799 6.181536 5.823233 3.881131 6.600113 2.510309 0.000000 6.437882 5.540428 6.427585 6.418187 2.449785 3.500127 3.888242 6.305367 4.370882 3.522062 2.061866 6.067726 6.531200 4.630637 5.230688 5.110308 4.646079 3.247189 3.710923 4.410988 3.874461 3.816414 2.151563 3.391124 1.084027 2.737918 4.158156 4.496368 5.481621 6.476449 6.746437 7.614360 6.401732 4.752614 4.038660 4.800723 3.849108 4.895266 4.298118 0.000000 5.061491 6.608788 4.497084 3.012123 4.639651 6.005886 4.116550 6.432027 6.613684 2.079248 5.524147 7.926825 7.299561 7.202229 5.138375 4.169275 5.008538 5.727099 2.709475 2.837964 3.988491 5.468562 4.630655 4.916724 4.968643 4.694551 1.097964 2.153760 2.830129 8.428611 8.780693 8.161560 6.964719 8.017432 6.570047 2.394805 4.413376 6.014520 5.081232 5.173780 0.000000 4.940813 6.609931 4.472038 3.034199 3.187921 4.288110 2.491519 6.355080 5.591193 2.081667 4.283032 7.318375 6.926929 6.360722 5.057740 4.062305 4.986362 4.492940 2.679696 2.728948 4.001580 4.087935 2.933484 3.293994 3.524628 2.981582 1.096438 2.139560 2.822804 7.939758 8.065745 7.901724 6.476921 7.041219 5.843686 2.234895 4.467459 4.764857 3.474263 3.863433 1.773101 0.000000 7.381020 7.127438 2.852246 3.691162 3.203922 5.235854 3.986095 7.977520 7.528853 2.443738 5.642270 8.960428 8.798454 7.879358 6.621530 6.075158 5.928449 6.422088 3.804583 4.747081 4.568922 6.455260 4.607456 5.612540 4.666614 4.091474 2.212750 1.082573 2.082339 9.303545 9.853594 9.786521 8.633671 8.399682 7.068053 4.707919 4.330728 7.337094 5.953830 4.253763 2.957555 2.920863 0.000000 C18H14Cl4F3NO3 C1 1 C1 1 C1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 477.0047095999997 AuxInfo=1/0/N:12;13;14;15;16;17;18;19;20;21;22;23;24;25;26;27;28;29;1;2;3;4;5;6;7;11;8;9;10;30;31;32;33;34;35;36;37;38;39;40;41;42;43/rA:43nCl0Cl0Cl0Cl0F0F0F0O0O0O0N0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:-2.4409,-.8589,2.9043;-3.764,-1.9161,-2.288;6.0564,-1.3417,-.8558;4.7074,-1.1539,1.7474;2.8627,1.6325,-1.5529;2.8576,3.5593,-.5443;3.141,1.741,.6078;-4.3431,-1.2891,.5326;-3.0594,1.9837,.2261;1.0322,-1.5674,-.8087;-1.2111,1.7807,-1.1471;-5.1701,.9424,-.2469;-4.9566,-.0329,.9092;-3.8963,1.5139,-.8576;-3.0091,-1.3257,.2647;-2.0095,-1.1527,1.2279;-2.5699,-1.6487,-1.034;-1.7301,2.0421,.0447;-.2621,-1.5072,-.3862;-.6511,-1.2253,.921;-1.2303,-1.74,-1.3653;-.9585,2.3777,1.1752;.9704,2.1594,-.2301;.4085,2.4404,1.026;.1195,1.8341,-1.2765;2.448,2.2701,-.436;2.0661,-1.4052,.1613;3.3694,-1.4406,-.5763;4.5509,-1.3313,.017;-5.7417,.4589,-1.0442;-5.7846,1.7603,.1471;-5.9211,-.3327,1.319;-4.3799,.4448,1.7005;-4.1167,2.357,-1.5179;-3.3508,.7757,-1.4381;.0661,-1.0624,1.7107;-.9233,-1.9665,-2.3767;-1.4486,2.5617,2.1215;1.0454,2.6899,1.8664;.5167,1.6011,-2.2578;2.012,-2.2061,.9104;1.9543,-.4483,.6849;3.325,-1.5363,-1.6537; 0.2186250 0.0786318 0.0724304 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= 754 RedAO= T EigKep= 1.19D-06 NBF= 754 NBsUse= 751 1.00D-06 EigRej= 7.39D-07 NBFU= 751 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= 761 761 761 761 761 MxSgAt= 43 MxSgA2= 43. 1 Closed 1 1 1 -3115.56362142723 -3115.56362142684 0.000000000394 -3115.56362143 2 3.106576321825e+03 -1.482262169665e+04 4.870039898423e+03 Using DIIS extrapolation, IDIIS= 1040. NGot= 1415577600 LenX= 1414336960 LenY= 1413723088 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= 43. Will process 44 centers per pass. Symmetrizing basis deriv contribution to polar: IMax=3 JMax=2 DiffMx= 0.00D+00 Minotr: Closed shell wavefunction. IDoAtm=1111111111111111111111111111111111111111111 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. 13312 words used for storage of precomputed grid. Two-electron integrals replicated using symmetry. MDV= 1415577600 using IRadAn= 1. Solving linear equations simultaneously, MaxMat= 384. FoF2E skips out because all densities are zero. CalDSu exits because no D1Ps are significant. FoFJK: IHMeth= 1 ICntrl= 0 DoSepK=F KAlg= 0 I1Cent= 0 FoldK=F IRaf= 750000000 NMat= 129 IRICut= 322 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= 129 NMatS0= 129 NMatT0= 0 NMatD0= 129 NMtDS0= 0 NMtDT0= 0 Integrals replicated using symmetry in FoFCou. Raff kept on since 74.13% of shell-pairs survive, threshold= 0.20 IRatSp=74. There are 132 degrees of freedom in the 1st order CPHF. IDoFFX=6 NUNeed= 3. 129 vectors produced by pass 0 Test12= 7.77D-14 1.00D-09 XBig12= 3.83D+02 6.92D+00. AX will form 129 AO Fock derivatives at one time. 129 vectors produced by pass 1 Test12= 7.77D-14 1.00D-09 XBig12= 1.29D+02 2.01D+00. 129 vectors produced by pass 2 Test12= 7.77D-14 1.00D-09 XBig12= 1.32D+00 9.42D-02. 129 vectors produced by pass 3 Test12= 7.77D-14 1.00D-09 XBig12= 7.39D-03 5.46D-03. 129 vectors produced by pass 4 Test12= 7.77D-14 1.00D-09 XBig12= 2.43D-05 2.85D-04. 129 vectors produced by pass 5 Test12= 7.77D-14 1.00D-09 XBig12= 5.09D-08 2.18D-05. 75 vectors produced by pass 6 Test12= 7.77D-14 1.00D-09 XBig12= 7.27D-11 6.27D-07. 4 vectors produced by pass 7 Test12= 7.77D-14 1.00D-09 XBig12= 1.06D-13 2.32D-08. 1 vectors produced by pass 8 Test12= 7.77D-14 1.00D-09 XBig12= 1.60D-16 1.02D-09. InvSVY: IOpt=1 It= 1 EMax= 2.13D-14 Solved reduced A of dimension 854 with 132 vectors. FullF1: Do perturbations 1 to 3. Isotropic polarizability for W= 0.000000 276.13 Bohr**3. End of Minotr F.D. properties file 721 does not exist. 373.365 0.646 193.188 3.811 16.750 261.824 522.417 4.749 281.141 4.477 41.555 470.235 (Enter /usr/local/gaussian/gaussian16/g16/l716.exe) PT154051.200S Tue Sep 3 09:38:56 2024 -101.58070 -101.57721 -101.57138 -101.56592 -24.72781 -24.72547 -24.72100 -19.18184 -19.18011 -19.16045 -14.33528 -10.44494 -10.29955 -10.29539 -10.26509 -10.26209 -10.26106 -10.26035 -10.25742 -10.24307 -10.23943 -10.23738 -10.22500 -10.21991 -10.21101 -10.20822 -10.20502 -10.20077 -10.19109 -9.49516 -9.49155 -9.48619 -9.48063 -7.25997 -7.25659 -7.25085 -7.24984 -7.24956 -7.24607 -7.24588 -7.24537 -7.24101 -7.24054 -7.23553 -7.23483 -1.33029 -1.24508 -1.23913 -1.10493 -1.09951 -1.07794 -0.97261 -0.93268 -0.91752 -0.89042 -0.85341 -0.85209 -0.84557 -0.82528 -0.80951 -0.79699 -0.76433 -0.75795 -0.73208 -0.71596 -0.70017 -0.67489 -0.66002 -0.63574 -0.62612 -0.61395 -0.60878 -0.60397 -0.59454 -0.58128 -0.56966 -0.55897 -0.54318 -0.53803 -0.52841 -0.51761 -0.51003 -0.49615 -0.48994 -0.48684 -0.48111 -0.48090 -0.47808 -0.47569 -0.46803 -0.45976 -0.45560 -0.45050 -0.44738 -0.44586 -0.44498 -0.43424 -0.42792 -0.42685 -0.41890 -0.41438 -0.40971 -0.40759 -0.40129 -0.39501 -0.38205 -0.38054 -0.37324 -0.36599 -0.36084 -0.35339 -0.35070 -0.34277 -0.33402 -0.32799 -0.32650 -0.32102 -0.31479 -0.30427 -0.29654 -0.26967 -0.26792 -0.26441 -0.24153 -0.05993 -0.04916 -0.04576 -0.03209 -0.02387 -0.02269 -0.01910 -0.00671 0.00240 0.00516 0.01000 0.01082 0.01616 0.01797 0.02368 0.02918 0.03086 0.03534 0.03811 0.04277 0.04724 0.05176 0.05316 0.05499 0.06468 0.06599 0.07023 0.07294 0.07512 0.07682 0.07888 0.08440 0.08511 0.08966 0.09362 0.09568 0.09953 0.10100 0.10197 0.10328 0.10698 0.10752 0.11032 0.11527 0.11921 0.11988 0.12111 0.12476 0.12707 0.12752 0.13007 0.13123 0.13509 0.13874 0.13908 0.14224 0.14628 0.14864 0.14944 0.15532 0.15644 0.15978 0.16265 0.16453 0.16718 0.17002 0.17167 0.17296 0.17425 0.17613 0.17802 0.18222 0.18470 0.18785 0.19030 0.19278 0.19405 0.19721 0.19967 0.20198 0.20729 0.20883 0.20927 0.21132 0.21357 0.21670 0.21809 0.22302 0.22508 0.22823 0.22939 0.23206 0.23622 0.23728 0.23920 0.24361 0.24443 0.24586 0.24746 0.25214 0.25444 0.25688 0.25782 0.26005 0.26190 0.26383 0.26878 0.27031 0.27561 0.27846 0.28198 0.28613 0.28895 0.29321 0.29691 0.29944 0.30139 0.30405 0.30775 0.31192 0.31246 0.31394 0.32009 0.32579 0.32998 0.33199 0.33390 0.33567 0.33815 0.34101 0.34689 0.34922 0.35112 0.35551 0.35818 0.36337 0.36634 0.36916 0.37084 0.37460 0.37624 0.38055 0.38260 0.39093 0.39573 0.40179 0.40798 0.41198 0.41499 0.41636 0.42842 0.43178 0.43569 0.44096 0.44149 0.44523 0.45182 0.45410 0.45865 0.46637 0.47721 0.48148 0.48980 0.49009 0.49262 0.49745 0.50198 0.50518 0.51149 0.51498 0.52050 0.52345 0.52451 0.52824 0.53534 0.53833 0.54298 0.54673 0.55071 0.55429 0.56088 0.56575 0.57943 0.58064 0.59105 0.59648 0.59933 0.60052 0.60751 0.60872 0.61997 0.62238 0.62650 0.62861 0.63209 0.63950 0.64237 0.64425 0.65215 0.65354 0.66240 0.66707 0.66986 0.67348 0.67731 0.68029 0.69004 0.69831 0.70206 0.70562 0.70851 0.70986 0.71380 0.71910 0.72458 0.72551 0.73195 0.73570 0.74029 0.74277 0.74860 0.75742 0.76132 0.76396 0.76661 0.77114 0.78219 0.78651 0.78711 0.79465 0.80813 0.81250 0.81895 0.82432 0.84090 0.84430 0.84900 0.85541 0.86087 0.87218 0.87685 0.87970 0.88290 0.89049 0.89815 0.90061 0.90509 0.90965 0.91383 0.91775 0.92706 0.92860 0.93345 0.93592 0.94280 0.94972 0.95069 0.95486 0.96004 0.97032 0.97409 0.97853 0.98657 0.99033 0.99685 1.00447 1.00785 1.00924 1.01197 1.01664 1.02247 1.03659 1.04045 1.04655 1.05657 1.06428 1.07148 1.08110 1.08425 1.09199 1.10183 1.10487 1.12574 1.12771 1.12958 1.13871 1.14454 1.15280 1.15636 1.17404 1.18072 1.18980 1.19779 1.19902 1.20487 1.21691 1.21978 1.22458 1.23181 1.25300 1.26293 1.27249 1.28556 1.29318 1.29950 1.31613 1.32070 1.33024 1.33376 1.34337 1.34740 1.36533 1.37167 1.38054 1.39276 1.39862 1.41177 1.42389 1.43059 1.43501 1.44348 1.46351 1.47405 1.47680 1.48308 1.48962 1.49362 1.50354 1.51202 1.51765 1.52919 1.53274 1.53614 1.55043 1.55189 1.56335 1.56950 1.57044 1.57897 1.58844 1.59317 1.59811 1.60231 1.60754 1.61262 1.61467 1.62272 1.62780 1.64166 1.64268 1.64825 1.65965 1.66684 1.67843 1.68680 1.68953 1.69788 1.70019 1.70703 1.71436 1.72211 1.72545 1.73967 1.75262 1.76360 1.76511 1.76958 1.77890 1.78814 1.79221 1.80276 1.80946 1.81433 1.82712 1.83464 1.84467 1.85180 1.87137 1.87297 1.88010 1.89304 1.90770 1.91095 1.92535 1.93095 1.94374 1.95831 1.96421 1.97426 1.98075 1.99094 2.00003 2.00793 2.00966 2.01935 2.02744 2.03715 2.04495 2.05312 2.06939 2.08237 2.09191 2.10227 2.11331 2.12443 2.13056 2.14567 2.15065 2.15586 2.17103 2.17723 2.19707 2.20859 2.21354 2.22899 2.24833 2.25016 2.26170 2.26532 2.26737 2.28649 2.29634 2.29969 2.30881 2.31648 2.32886 2.33208 2.33878 2.35673 2.36629 2.37331 2.37460 2.39927 2.42032 2.46147 2.46861 2.47066 2.48092 2.48924 2.50342 2.52283 2.52735 2.53891 2.54312 2.55831 2.56250 2.56664 2.57721 2.58438 2.60961 2.61917 2.62194 2.63862 2.64408 2.66455 2.67567 2.69371 2.71038 2.71493 2.72282 2.73260 2.74353 2.76418 2.77105 2.77519 2.78285 2.78883 2.79863 2.80092 2.80860 2.81930 2.82324 2.83804 2.84695 2.85327 2.86071 2.86851 2.88626 2.90132 2.90799 2.91476 2.91842 2.93725 2.94155 2.95432 2.96896 2.97358 2.97927 2.98247 3.00807 3.04841 3.05692 3.07050 3.08315 3.09428 3.11200 3.11779 3.14651 3.15258 3.16456 3.17050 3.17728 3.19408 3.20712 3.21643 3.23627 3.24513 3.24668 3.26244 3.29753 3.32509 3.36095 3.36798 3.37804 3.40558 3.42124 3.45701 3.48676 3.49244 3.53319 3.54316 3.62306 3.70126 3.70749 3.71723 3.73531 3.74182 3.74893 3.76668 3.76946 3.77448 3.78078 3.78726 3.80004 3.81728 3.84337 3.86921 3.87509 3.90683 3.92853 3.96073 3.96679 4.00088 4.02330 4.06099 4.06280 4.08521 4.09987 4.10792 4.12160 4.15952 4.18455 4.19827 4.19898 4.21755 4.25685 4.32974 4.44169 4.50278 4.71138 4.82597 4.91620 4.94132 5.09670 5.13150 5.18685 5.21441 5.37689 5.42264 5.43569 5.74053 5.82843 5.84592 6.35380 6.36783 6.39540 6.40148 6.42616 6.46046 6.51375 6.72598 6.77047 9.76010 9.78871 9.81801 9.86454 23.49444 23.53271 23.55767 23.72168 23.83689 23.86482 23.87459 23.88881 23.91410 23.92259 23.95711 23.96103 23.99735 24.06068 24.06268 24.13041 24.13224 24.19323 25.84779 25.90451 25.91642 25.97736 26.03127 26.07556 26.25716 26.29109 26.51525 26.55311 26.81900 26.91687 35.67751 49.95603 49.97564 49.99441 66.75738 66.77844 66.83397 215.75087 215.78276 215.81796 215.87380 1-A. Mulliken charges: 1 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 Cl Cl Cl Cl F F F O O O N C C C C C C C C C C C C C C C C C C H H H H H H H H H H H H H H -0.259144 0.275078 0.600100 0.324086 -0.060257 -0.022674 -0.030247 -0.042184 0.044918 0.045462 0.091110 -0.422764 -0.210705 -0.154848 -1.361139 0.398997 1.242177 0.019046 -0.551393 0.187118 -0.269789 -0.316655 -0.293655 -0.341374 -0.277684 0.760471 -0.852314 -0.157927 -0.751609 0.190557 0.159469 0.162798 0.175162 0.168325 0.212705 0.143298 0.152683 0.144449 0.155140 0.154192 0.197758 0.191668 0.179598 -0.00000 Mulliken charges with hydrogens summed into heavy atoms: 1 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 Cl Cl Cl Cl F F F O O O N C C C C C C C C C C C C C C C C C C -0.259144 0.275078 0.600100 0.324086 -0.060257 -0.022674 -0.030247 -0.042184 0.044918 0.045462 0.091110 -0.072738 0.127255 0.226182 -1.361139 0.398997 1.242177 0.019046 -0.551393 0.330415 -0.117107 -0.172206 -0.293655 -0.186234 -0.123493 0.760471 -0.462888 0.021671 -0.751609 -0.00000 -9.09965453e-01 5.57770187e-01 3.32090599e-01 3.73364906e+02 6.45635947e-01 1.93188299e+02 3.81064321e+00 1.67502420e+01 2.61824297e+02 -2.5131 -0.9131 0.0008 0.0011 0.0021 3.1709 14.9939 22.1223 29.2797 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 50 51 52 53 54 55 56 57 58 59 60 61 62 63 64 65 66 67 68 69 70 71 72 73 74 75 76 77 78 79 80 81 82 83 84 85 86 87 88 89 90 91 92 93 94 95 96 97 98 99 100 101 102 103 104 105 106 107 108 109 110 111 112 113 114 115 116 117 118 119 120 121 122 123 A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A 14.9925 22.0760 29.2734 31.7491 39.3592 45.4780 50.6425 65.5792 71.7544 75.9870 99.3145 117.5199 129.5355 140.8441 153.4902 171.1960 193.5837 202.9261 214.7698 221.6429 230.0593 234.9162 255.4420 260.4717 281.4476 301.5229 317.9519 332.8366 362.3007 385.0258 394.1249 396.9794 438.0108 439.5845 443.3462 477.0052 480.7041 486.2202 516.4309 527.2845 541.3438 564.2784 571.8940 604.8246 615.4281 618.7021 650.4336 660.7443 668.9632 720.7893 755.3313 771.3724 774.4456 793.9253 797.4093 802.6770 837.3360 850.6640 864.6311 870.9773 872.7155 880.4014 950.4238 962.1059 971.4090 989.1721 993.1533 1022.2657 1040.5629 1063.7385 1073.5955 1080.9483 1087.5255 1096.9299 1100.9560 1107.7071 1116.9208 1124.3394 1165.0308 1221.0749 1241.5955 1252.8895 1267.5374 1273.1120 1278.8244 1280.2967 1306.5638 1318.6869 1321.4740 1326.9214 1341.6600 1348.4248 1390.8402 1400.4896 1418.0060 1419.0005 1431.0193 1435.0192 1467.4297 1482.5257 1506.2591 1514.2552 1517.9973 1533.0278 1587.1551 1603.7308 1634.2527 1648.7267 1693.5295 2994.1774 3024.9791 3035.1074 3054.8649 3074.0795 3083.4820 3130.5300 3158.8143 3180.8086 3187.4539 3200.3448 3212.6939 3215.3062 3228.3423 12.4772 12.3423 15.9599 15.1199 13.6467 14.1331 6.3271 8.8451 7.5358 10.9425 7.8709 4.1958 5.5461 14.2782 11.4694 11.6724 6.1958 5.4750 5.3357 8.4884 7.5932 4.9569 3.0228 2.9360 4.3036 5.5332 9.6873 8.2223 6.5911 5.3770 6.3688 6.0800 5.8946 5.5143 6.3928 4.8622 4.8811 7.1871 4.3644 5.1966 3.0571 7.9509 9.5856 4.5375 2.9617 5.1413 8.1410 7.2593 8.4019 4.5288 8.9431 6.1144 4.6831 2.0182 1.2318 7.4794 1.4981 1.6817 4.6777 1.6450 3.3577 4.5259 6.9321 1.4443 3.2732 3.6957 1.3306 4.6697 1.6127 2.3650 4.1297 3.4635 3.2038 9.9505 2.2664 3.6224 3.1906 4.9551 1.3171 1.7362 1.8216 1.1834 1.3743 1.2368 1.7184 2.1304 3.2077 2.9311 3.5890 2.3216 1.6818 2.2713 1.4967 1.5037 1.3474 1.6080 3.0120 2.2384 1.0944 2.2143 1.0894 1.4156 1.5206 1.5711 8.3491 7.2342 6.6600 5.6220 8.5832 1.0592 1.0649 1.1014 1.0719 1.0852 1.0711 1.1079 1.0923 1.0919 1.0904 1.0908 1.0955 1.0924 1.0911 0.0017 0.0035 0.0081 0.0090 0.0125 0.0172 0.0096 0.0224 0.0229 0.0372 0.0457 0.0341 0.0548 0.1669 0.1592 0.2016 0.1368 0.1328 0.1450 0.2457 0.2368 0.1612 0.1162 0.1174 0.2009 0.2964 0.5770 0.5367 0.5097 0.4696 0.5829 0.5645 0.6663 0.6278 0.7403 0.6518 0.6645 1.0011 0.6858 0.8513 0.5278 1.4916 1.8471 0.9780 0.6609 1.1595 2.0292 1.8673 2.2153 1.3863 3.0062 2.1436 1.6549 0.7495 0.4615 2.8392 0.6188 0.7170 2.0604 0.7353 1.5067 2.0669 3.6893 0.7877 1.8198 2.1305 0.7733 2.8752 1.0288 1.5767 2.8044 2.3844 2.2325 7.0543 1.6186 2.6188 2.3452 3.6906 1.0533 1.5252 1.6545 1.0945 1.3009 1.1811 1.6558 2.0575 3.2263 3.0031 3.6927 2.4084 1.7837 2.4332 1.7058 1.7377 1.5963 1.9077 3.6341 2.7159 1.3885 2.8674 1.4563 1.9125 2.0645 2.1755 12.3916 10.9624 10.4801 9.0040 14.5038 5.5948 5.7414 5.9777 5.8940 6.0422 6.0000 6.3974 6.4214 6.5088 6.5269 6.5826 6.6617 6.6539 6.7001 0.2765 0.0763 0.2275 0.0713 0.1665 0.0926 0.5511 0.7449 0.8297 0.5051 0.6552 5.0665 1.5143 0.4792 2.5539 2.7135 1.1621 1.8560 0.2340 0.7761 0.4192 3.6070 2.4479 6.0841 4.3491 0.7425 0.5755 0.5071 4.4595 1.2055 1.9965 1.7932 4.7034 4.3173 2.0816 3.9732 4.1073 11.8918 0.8624 0.0855 7.5725 10.3758 0.8815 3.5710 3.6687 6.8866 2.3122 14.3965 22.1854 5.4797 0.1679 22.5524 5.2485 12.3729 23.3379 65.4953 22.7276 43.7709 1.4433 20.1758 23.5632 89.8953 105.6735 19.1323 31.3668 83.3630 0.8960 33.4385 2.5904 41.6163 44.4967 113.0751 105.6914 299.6409 44.7153 0.3009 61.1721 130.2046 44.8363 71.6784 88.7759 44.0142 3.0202 6.9758 41.5176 37.3097 180.6442 31.1738 519.7257 38.2480 11.4905 23.4608 2.5968 8.0086 80.7102 77.6422 16.5991 13.2714 9.0071 206.0524 5.2011 140.8419 14.6476 40.0958 60.8036 35.8996 97.9700 220.1628 52.8978 13.8795 19.3328 11.0746 38.8039 10.0118 41.4293 14.1990 5.3086 3.3608 0.6693 5.3529 0.4625 1.1150 1.4002 0.04 0.23 -0.03 -0.02 -0.19 0.08 -0.01 -0.08 -0.15 0.07 -0.13 -0.10 0.05 0.12 0.18 -0.00 0.07 0.27 -0.07 0.02 0.21 0.01 -0.01 0.04 -0.05 0.02 -0.12 -0.01 -0.01 -0.03 0.04 -0.02 -0.01 0.01 -0.07 -0.15 -0.02 0.01 -0.07 0.02 -0.08 -0.13 0.01 -0.00 0.02 0.02 0.09 -0.01 -0.01 -0.09 0.04 -0.04 0.03 -0.05 0.00 -0.00 -0.01 0.02 0.09 -0.02 -0.01 -0.09 0.02 -0.11 0.10 -0.03 -0.02 0.06 0.10 -0.10 0.12 0.05 0.04 -0.01 0.06 -0.01 0.07 0.19 0.01 0.02 -0.05 -0.00 0.00 -0.08 0.01 -0.06 -0.11 0.06 -0.15 -0.14 -0.03 -0.07 -0.23 -0.02 0.02 -0.09 -0.05 0.07 -0.09 0.02 -0.12 -0.19 0.07 -0.09 -0.06 0.03 0.16 -0.05 -0.02 -0.16 0.03 -0.17 0.15 -0.06 -0.15 0.17 0.07 0.10 -0.05 0.10 0.03 0.04 -0.03 0.02 0.04 -0.08 -0.03 0.05 -0.08 -0.09 0.00 0.01 -0.10 -0.08 0.03 -0.11 0.29 -0.07 -0.07 0.10 -0.03 0.15 0.06 -0.02 0.14 -0.02 0.13 0.14 -0.10 -0.01 -0.09 0.03 0.01 0.14 -0.06 -0.02 -0.09 -0.13 0.03 0.15 -0.04 -0.01 0.09 0.07 -0.08 -0.02 0.08 -0.05 0.15 -0.02 -0.05 -0.09 -0.04 0.02 -0.09 -0.05 0.02 -0.09 -0.08 0.03 0.14 -0.06 -0.01 -0.09 -0.11 0.03 -0.09 -0.09 0.03 -0.09 -0.12 0.04 0.13 -0.09 0.00 0.14 -0.05 0.01 0.13 -0.08 0.01 0.15 -0.03 -0.00 0.14 -0.03 0.03 -0.09 -0.05 0.01 -0.10 0.05 -0.01 -0.09 0.13 -0.03 0.09 0.08 -0.10 0.12 0.11 -0.13 -0.06 0.15 -0.09 -0.03 0.07 -0.04 0.22 -0.01 -0.06 0.12 -0.06 -0.02 -0.08 -0.09 0.03 -0.09 -0.14 0.04 0.12 -0.11 0.00 0.12 -0.09 0.02 0.16 -0.01 -0.00 -0.02 -0.04 0.02 -0.15 -0.05 0.00 -0.11 0.07 -0.01 0.01 0.02 -0.03 0.02 0.07 -0.04 -0.00 -0.12 -0.10 0.05 0.49 -0.12 0.00 -0.25 0.20 0.02 -0.16 0.02 -0.06 -0.06 0.19 0.01 0.03 -0.04 -0.04 0.06 -0.01 0.01 -0.09 -0.00 -0.01 -0.04 0.05 -0.02 0.03 -0.01 0.00 0.02 -0.02 -0.03 0.05 -0.01 0.01 0.03 -0.03 0.01 0.01 -0.03 0.01 0.03 -0.03 -0.03 0.01 0.03 0.01 -0.04 -0.01 0.01 -0.02 -0.02 0.01 -0.01 -0.02 -0.05 0.02 0.04 -0.02 -0.08 0.10 -0.05 -0.03 0.07 -0.00 -0.09 0.08 -0.01 -0.14 0.13 0.02 -0.13 -0.00 0.01 -0.21 -0.01 0.02 0.03 -0.06 -0.02 0.03 -0.01 -0.03 0.02 -0.00 0.01 0.01 -0.01 0.01 0.02 -0.02 -0.04 0.04 -0.01 -0.01 0.05 -0.00 0.01 -0.04 -0.01 0.01 -0.01 -0.02 -0.07 0.06 0.02 -0.06 -0.03 0.08 0.02 -0.13 0.10 -0.02 -0.13 -0.00 0.07 -0.13 -0.01 0.00 -0.51 0.01 0.03 0.05 0.00 0.04 0.07 -0.00 0.01 0.36 -0.06 0.07 -0.22 0.01 -0.05 -0.38 0.14 0.01 -0.23 -0.15 -0.10 -0.07 0.14 0.03 0.06 -0.00 -0.08 0.12 -0.07 0.04 -0.03 0.02 -0.05 -0.07 -0.01 -0.04 0.03 0.00 0.02 0.05 0.01 -0.08 0.05 -0.04 0.03 0.06 0.00 0.03 0.04 0.01 0.04 0.05 0.00 -0.07 0.05 -0.04 0.04 -0.01 0.02 0.03 0.00 0.02 0.04 0.02 0.01 -0.08 0.10 -0.05 -0.06 -0.10 0.02 -0.07 0.02 -0.02 -0.05 -0.14 0.02 -0.05 -0.19 0.04 0.04 -0.06 0.02 0.03 0.10 -0.00 0.04 0.07 -0.02 -0.05 -0.00 0.03 -0.05 0.02 0.01 0.05 0.04 0.06 0.05 0.07 -0.02 -0.12 0.02 -0.06 -0.06 0.05 -0.02 0.03 -0.02 0.02 0.04 0.02 0.02 -0.10 0.20 -0.08 -0.08 0.06 -0.02 -0.03 -0.24 0.05 0.10 -0.13 -0.05 -0.00 -0.11 0.11 0.01 0.29 -0.02 -0.05 -0.06 -0.01 -0.04 -0.07 -0.01 -0.04 -0.07 -0.03 -0.03 -0.05 -0.03 0.10 -0.24 0.23 -0.02 0.07 -0.39 0.10 0.46 0.20 -0.04 -0.04 -0.01 0.07 -0.07 0.05 -0.04 0.07 -0.03 0.08 0.01 0.05 0.05 -0.01 -0.03 -0.03 -0.03 -0.03 0.09 -0.03 0.02 -0.04 -0.05 -0.01 -0.05 -0.03 -0.01 -0.04 -0.04 -0.01 0.07 -0.03 0.06 -0.04 0.03 -0.02 -0.05 0.01 -0.02 -0.04 -0.01 -0.02 0.06 -0.04 0.06 0.07 0.04 0.06 0.06 0.00 0.07 0.08 0.05 0.05 0.06 0.08 0.03 -0.05 0.17 -0.04 -0.05 0.11 -0.04 -0.04 0.01 -0.03 0.07 0.02 -0.06 0.06 0.01 -0.05 -0.05 -0.00 -0.08 -0.05 -0.05 -0.00 0.13 -0.02 0.03 0.09 -0.04 0.02 -0.05 0.03 -0.02 -0.04 0.00 -0.02 0.06 -0.07 0.07 0.06 -0.01 0.07 0.08 0.07 0.05 -0.03 0.24 0.03 -0.07 0.22 -0.13 -0.05 0.16 -0.04 -0.23 -0.20 0.10 0.11 0.10 -0.04 -0.07 -0.07 -0.21 0.28 -0.03 -0.03 0.02 0.08 -0.01 -0.02 0.06 0.02 -0.01 0.05 -0.01 -0.06 0.02 -0.05 -0.01 0.03 -0.10 0.00 -0.01 0.24 0.01 -0.03 -0.06 -0.01 0.02 -0.09 -0.03 0.04 -0.07 0.00 0.00 -0.09 -0.04 -0.01 0.03 -0.10 -0.08 0.11 0.03 0.04 0.05 -0.01 0.02 -0.08 -0.01 -0.01 0.20 -0.08 -0.07 0.19 0.05 0.03 0.13 -0.03 0.08 -0.08 -0.00 0.04 -0.04 -0.03 0.09 -0.06 0.02 -0.02 -0.04 -0.00 0.06 -0.01 0.02 0.03 0.22 -0.03 0.02 0.13 0.04 -0.02 -0.01 -0.00 0.01 -0.09 -0.01 0.03 -0.12 -0.04 0.08 -0.06 -0.01 0.05 -0.08 0.01 -0.01 -0.12 0.01 -0.01 -0.07 -0.12 -0.12 0.24 0.11 0.07 0.14 -0.05 0.12 -0.10 -0.05 0.14 -0.06 0.04 -0.06 -0.02 0.06 0.04 0.23 0.03 0.04 0.20 -0.13 0.02 0.13 -0.05 0.18 -0.03 0.05 -0.01 -0.02 -0.00 0.01 -0.05 0.09 -0.01 -0.00 -0.04 -0.02 -0.03 -0.06 -0.02 -0.03 0.02 -0.02 -0.04 -0.01 0.00 -0.05 -0.00 -0.11 0.07 0.02 0.02 0.06 -0.04 0.11 0.00 -0.03 0.00 -0.04 -0.08 -0.03 -0.06 -0.01 0.01 0.02 -0.01 0.04 -0.02 -0.02 0.08 -0.01 0.02 0.02 -0.00 -0.01 -0.08 0.06 0.01 0.04 0.04 -0.02 0.07 0.02 0.03 0.02 0.03 0.02 -0.29 0.10 -0.01 -0.07 0.02 0.02 -0.28 0.08 -0.04 0.12 -0.02 -0.02 -0.03 -0.02 0.02 0.01 0.06 0.01 0.01 0.04 0.03 0.00 0.00 -0.00 0.03 -0.08 -0.05 -0.01 -0.04 -0.10 -0.08 -0.14 -0.16 -0.03 -0.00 0.04 0.07 0.08 -0.02 0.03 -0.03 -0.03 0.11 0.03 0.05 -0.00 0.04 0.04 -0.45 0.15 0.04 -0.44 0.11 -0.06 0.29 -0.06 0.02 -0.00 0.05 0.03 0.00 0.07 -0.02 0.02 0.04 0.01 -0.14 0.07 -0.04 -0.04 0.09 0.00 -0.03 0.01 -0.03 0.03 -0.01 0.04 -0.09 0.04 0.10 -0.10 0.06 -0.05 -0.13 0.05 0.01 -0.04 0.11 -0.00 0.00 -0.13 -0.02 0.33 -0.05 0.02 0.17 -0.14 0.03 -0.09 -0.09 0.03 0.01 -0.01 0.01 -0.06 -0.12 0.00 -0.01 0.07 0.01 -0.01 0.05 -0.02 0.05 0.05 -0.00 0.03 -0.11 -0.01 0.21 -0.01 0.01 0.10 0.02 -0.02 0.18 0.00 -0.02 -0.11 -0.06 0.01 -0.01 -0.04 -0.01 -0.14 -0.02 0.02 0.16 -0.10 0.02 -0.08 0.03 -0.01 0.10 -0.03 -0.01 0.08 -0.02 -0.01 0.04 -0.01 0.07 -0.17 -0.07 -0.01 -0.09 -0.16 0.03 0.07 0.03 0.05 0.07 -0.05 -0.03 -0.08 -0.14 0.04 -0.05 -0.10 0.02 0.11 0.00 -0.03 0.23 -0.01 -0.04 -0.22 -0.05 -0.03 -0.27 0.03 0.04 0.27 -0.12 -0.09 -0.01 -0.15 0.08 0.02 0.12 -0.00 0.07 -0.02 -0.08 0.04 -0.03 0.03 -0.09 -0.04 -0.02 -0.03 -0.02 0.03 0.02 0.00 -0.01 -0.03 -0.05 0.04 -0.07 0.03 0.05 -0.12 -0.06 -0.04 -0.04 -0.06 0.03 -0.06 0.11 -0.01 0.28 -0.02 0.02 -0.23 0.12 -0.01 0.01 0.05 -0.07 -0.07 -0.01 0.02 -0.01 0.09 -0.03 -0.00 -0.04 -0.05 0.06 -0.03 0.00 0.01 -0.03 0.03 -0.06 0.09 -0.02 0.17 -0.02 -0.04 0.15 -0.02 0.01 0.09 -0.02 0.05 0.12 0.02 0.03 -0.06 0.02 0.04 0.13 -0.01 0.02 -0.23 0.09 0.03 -0.07 -0.02 -0.01 0.13 0.01 -0.01 0.10 0.01 -0.00 0.04 0.00 -0.02 0.08 0.01 0.02 0.01 0.10 -0.08 -0.11 -0.08 -0.11 -0.12 0.05 0.05 0.01 0.12 -0.00 -0.01 0.08 -0.06 0.21 -0.02 0.03 0.10 -0.01 0.06 0.27 0.00 0.05 0.28 -0.06 0.00 -0.38 0.12 -0.08 0.07 -0.06 0.04 0.09 0.10 -0.02 0.11 0.01 0.06 0.04 0.04 -0.04 0.24 0.03 0.01 -0.01 0.02 -0.04 -0.00 -0.01 0.12 0.09 0.02 -0.22 0.08 0.05 0.07 0.11 0.02 0.02 0.01 0.10 -0.00 -0.10 -0.12 -0.01 0.06 -0.03 0.05 -0.33 -0.03 -0.02 -0.06 -0.08 -0.00 0.03 -0.00 -0.04 -0.05 -0.11 0.02 0.04 0.06 0.03 0.01 0.04 -0.01 0.11 0.03 0.01 -0.22 -0.08 -0.00 0.04 -0.00 0.03 -0.00 0.02 -0.02 0.11 0.00 -0.03 -0.19 -0.06 0.01 -0.20 0.00 -0.03 -0.16 -0.02 0.06 -0.32 0.01 -0.00 0.01 0.02 0.00 0.03 -0.03 0.00 0.03 -0.03 -0.01 0.01 -0.01 -0.00 -0.14 -0.04 -0.05 -0.05 -0.14 0.00 0.05 0.02 -0.01 0.10 -0.04 -0.05 -0.03 -0.07 -0.06 -0.03 -0.15 0.04 -0.02 0.01 -0.04 0.17 -0.02 -0.06 -0.14 -0.09 -0.06 -0.09 -0.02 0.09 -0.39 0.04 -0.00 0.02 -0.05 0.01 0.03 -0.02 0.01 0.03 -0.03 0.01 0.11 0.01 -0.02 0.21 -0.02 -0.02 0.01 -0.01 -0.02 -0.00 -0.00 -0.03 -0.05 -0.00 0.18 -0.03 -0.03 -0.05 -0.04 0.00 0.00 -0.18 0.08 0.03 -0.22 0.07 -0.02 -0.04 0.01 0.01 0.03 0.01 0.03 -0.22 -0.12 -0.09 -0.18 -0.06 0.07 -0.16 0.01 -0.00 -0.08 0.05 0.00 -0.03 0.03 -0.01 0.02 0.02 0.01 -0.02 0.03 -0.01 -0.02 0.02 -0.00 -0.02 0.02 -0.01 0.04 0.01 0.01 0.10 -0.01 0.01 0.15 -0.03 0.01 0.18 -0.03 0.00 0.11 -0.01 0.02 0.02 -0.02 -0.01 -0.03 0.01 -0.02 -0.03 0.00 -0.02 -0.01 -0.00 0.16 -0.26 -0.18 -0.06 -0.25 -0.22 -0.14 -0.20 -0.20 -0.22 -0.14 0.01 0.09 -0.12 0.05 0.11 -0.10 -0.02 0.01 0.00 0.01 -0.02 0.10 -0.01 0.02 0.11 -0.00 0.00 0.24 -0.05 -0.00 0.12 -0.02 -0.01 -0.03 0.01 -0.01 -0.03 0.00 -0.02 -0.04 0.01 0.02 0.02 -0.00 -0.00 0.05 -0.02 0.00 -0.08 0.01 0.01 0.02 0.00 -0.01 -0.03 -0.00 0.04 -0.05 0.04 -0.02 -0.08 0.00 -0.00 0.01 -0.01 -0.01 0.01 -0.01 0.00 -0.11 0.02 -0.01 0.01 -0.02 -0.01 0.01 0.03 0.02 0.01 0.02 -0.02 -0.00 0.00 -0.00 -0.02 -0.00 0.00 -0.03 -0.00 -0.00 -0.04 0.00 -0.01 -0.00 -0.01 0.00 -0.09 0.01 0.00 -0.06 0.00 -0.00 -0.09 0.01 -0.01 -0.02 -0.01 -0.01 -0.01 -0.01 -0.01 -0.03 -0.00 -0.01 0.00 -0.01 -0.00 -0.04 0.01 -0.01 0.30 -0.03 -0.01 0.29 -0.02 -0.00 0.12 -0.01 -0.03 0.02 0.04 0.01 0.02 0.05 0.03 0.01 0.05 0.04 -0.00 0.01 -0.03 -0.01 -0.01 -0.03 -0.01 0.01 0.00 -0.06 0.00 -0.01 -0.10 0.01 -0.01 -0.03 -0.01 -0.01 -0.05 0.00 -0.01 0.01 -0.01 0.13 0.49 0.18 -0.17 0.42 -0.28 -0.01 0.38 -0.03 0.03 0.03 -0.02 -0.00 -0.00 -0.05 -0.05 0.01 -0.02 0.05 0.00 0.04 0.16 0.01 0.07 0.08 0.02 0.05 -0.12 0.03 0.11 -0.02 0.00 -0.04 0.04 -0.13 0.00 -0.01 0.01 -0.00 0.00 -0.03 -0.11 -0.08 0.06 0.26 0.00 -0.04 0.15 -0.11 -0.04 0.09 -0.02 0.01 -0.03 -0.02 0.02 -0.04 -0.01 0.00 -0.03 0.02 -0.08 -0.10 -0.01 0.02 -0.03 -0.02 0.03 -0.04 -0.01 0.01 -0.03 0.02 -0.05 -0.10 0.01 0.05 -0.12 0.01 0.01 -0.12 0.01 0.04 -0.13 0.03 0.03 0.00 -0.03 -0.03 0.04 -0.02 -0.03 0.06 -0.01 -0.01 0.04 -0.27 0.18 0.32 0.08 0.11 0.41 0.04 -0.08 0.21 0.07 -0.11 0.14 -0.13 -0.02 0.13 -0.25 -0.08 0.01 -0.02 0.04 -0.04 -0.01 0.00 -0.03 0.02 -0.09 -0.10 0.01 0.02 -0.12 0.02 0.07 -0.13 -0.07 -0.04 0.02 -0.02 -0.03 0.05 -0.02 -0.04 0.06 0.17 -0.02 -0.08 -0.26 0.01 0.05 -0.14 0.00 -0.03 0.34 0.03 0.19 -0.05 0.00 -0.03 -0.05 0.00 -0.02 0.07 0.00 -0.05 -0.00 -0.06 0.04 -0.01 0.09 -0.02 -0.00 0.01 -0.08 0.01 0.02 0.04 0.06 -0.06 -0.09 0.03 -0.02 -0.04 0.05 0.01 -0.04 -0.02 -0.05 -0.06 0.02 -0.03 -0.11 -0.09 -0.01 -0.08 -0.00 0.05 0.02 -0.05 -0.00 -0.18 -0.02 -0.03 -0.18 -0.09 0.02 -0.17 -0.01 0.03 0.03 0.01 -0.04 0.05 0.00 -0.01 0.05 0.01 -0.02 0.05 -0.00 -0.01 -0.00 -0.12 0.01 0.09 -0.03 0.01 0.26 -0.00 0.01 0.22 0.13 -0.13 -0.11 -0.02 -0.09 -0.15 0.02 0.03 -0.03 0.04 0.01 -0.06 0.02 -0.02 -0.07 0.12 0.04 -0.01 0.00 -0.03 -0.20 -0.14 0.04 -0.19 -0.01 0.05 0.03 -0.00 -0.02 0.05 0.01 -0.04 0.05 -0.23 0.01 0.08 -0.18 0.02 0.06 0.03 0.00 0.26 -0.11 -0.09 -0.03 -0.18 -0.03 0.15 0.23 0.01 0.10 0.14 0.00 -0.03 -0.04 -0.01 0.01 0.11 -0.00 -0.01 -0.11 -0.01 0.03 -0.03 0.15 -0.02 0.02 -0.26 0.08 0.02 -0.11 -0.04 -0.01 -0.10 0.02 -0.09 0.11 -0.10 -0.14 0.12 -0.08 -0.03 0.05 -0.02 -0.02 0.16 -0.02 -0.01 0.07 -0.02 -0.04 0.10 -0.00 -0.00 -0.14 0.03 0.00 -0.01 -0.03 -0.00 -0.00 -0.03 -0.04 0.03 -0.02 -0.01 -0.06 0.01 -0.03 0.11 -0.04 -0.02 0.08 -0.03 -0.02 0.01 -0.01 -0.02 0.04 -0.01 0.09 0.00 -0.10 0.14 0.01 -0.07 0.13 0.01 -0.04 -0.07 0.13 -0.12 -0.08 0.13 -0.12 -0.16 0.05 -0.18 -0.25 0.14 -0.02 0.10 0.19 0.13 -0.13 0.06 -0.13 -0.00 -0.08 -0.01 -0.08 -0.02 -0.02 -0.00 -0.09 0.02 -0.02 0.16 -0.05 -0.02 0.02 -0.02 0.14 0.05 -0.04 0.05 0.03 -0.16 0.17 0.03 -0.08 0.21 -0.11 0.06 0.13 -0.09 -0.01 -0.20 -0.02 -0.09 -0.10 -0.00 0.05 -0.13 -0.01 -0.01 0.11 -0.00 -0.03 -0.07 -0.01 -0.01 0.07 0.18 -0.03 0.01 -0.24 0.04 0.02 -0.11 0.03 0.00 -0.12 0.04 -0.04 0.07 -0.15 -0.01 0.15 -0.09 -0.00 0.05 -0.08 0.07 0.19 -0.02 0.08 0.11 -0.01 0.07 0.15 -0.01 -0.00 -0.16 0.05 0.04 0.04 -0.01 0.07 0.05 -0.02 0.05 0.10 -0.02 -0.03 -0.09 0.04 -0.03 0.13 0.02 -0.04 0.08 0.03 -0.01 0.01 0.03 -0.03 0.05 -0.00 -0.06 0.04 0.07 -0.10 0.01 0.07 -0.10 0.00 0.05 0.01 -0.00 -0.14 -0.09 0.07 -0.22 -0.01 0.10 -0.10 -0.06 0.20 -0.09 0.11 0.19 0.07 -0.07 0.09 -0.19 0.08 -0.05 -0.01 0.05 0.04 -0.01 -0.04 -0.14 0.05 -0.06 0.15 0.02 0.01 0.01 0.04 -0.04 0.12 0.15 -0.12 0.09 -0.05 -0.12 0.02 0.07 0.05 0.07 0.02 0.02 0.02 -0.07 0.03 -0.01 0.02 0.04 0.00 -0.00 -0.16 -0.00 -0.01 0.10 0.01 -0.04 -0.01 0.01 -0.02 -0.06 0.09 -0.03 -0.00 -0.06 -0.07 -0.02 0.25 -0.05 0.03 -0.07 0.01 -0.01 0.10 0.02 0.08 0.14 0.04 0.01 -0.05 -0.07 -0.05 -0.09 0.02 -0.03 -0.18 0.03 -0.03 -0.12 0.02 -0.00 -0.08 -0.00 -0.02 -0.07 0.01 -0.03 -0.22 0.04 -0.03 -0.11 0.03 -0.05 -0.09 0.03 -0.02 0.12 0.06 -0.05 0.03 0.07 0.03 0.02 0.05 -0.02 0.05 0.01 -0.00 -0.06 -0.01 0.01 0.02 -0.01 0.01 0.02 -0.00 -0.13 0.11 0.11 0.11 0.18 0.05 0.12 0.22 0.20 0.22 0.13 -0.06 0.08 -0.08 -0.13 -0.04 -0.14 -0.00 -0.03 -0.20 0.03 -0.04 -0.03 0.01 -0.09 -0.15 0.02 -0.09 0.05 0.09 0.07 0.02 0.07 -0.06 -0.24 -0.22 0.06 -0.18 0.23 0.02 0.02 -0.01 -0.07 -0.04 -0.02 -0.01 0.03 -0.02 0.01 0.02 0.00 0.01 -0.00 -0.00 -0.15 -0.01 -0.01 0.09 -0.00 -0.02 0.16 0.00 -0.06 0.01 -0.01 0.04 -0.02 -0.02 -0.13 -0.00 -0.11 0.01 0.08 -0.02 -0.03 -0.02 -0.04 0.12 0.06 -0.01 0.13 -0.05 -0.15 -0.05 -0.00 0.04 -0.02 -0.00 0.15 -0.04 -0.01 0.01 -0.01 -0.01 -0.03 -0.06 -0.01 0.06 -0.01 -0.00 0.24 -0.05 -0.01 -0.03 0.01 -0.08 -0.04 -0.01 0.03 0.05 0.13 -0.06 0.00 0.10 0.08 0.03 0.08 0.03 0.02 0.05 -0.00 0.03 -0.01 0.01 -0.07 0.00 0.00 -0.04 0.00 -0.15 -0.04 0.21 0.09 0.03 0.15 0.10 0.01 0.24 0.15 -0.00 0.05 -0.08 -0.24 -0.15 -0.07 -0.23 0.02 -0.00 0.32 -0.06 -0.00 -0.13 0.03 -0.15 -0.08 -0.04 -0.14 -0.00 0.16 0.15 0.05 0.10 -0.01 0.16 0.12 0.00 0.12 -0.17 0.01 -0.09 0.00 -0.07 0.07 -0.05 -0.01 -0.08 0.04 -0.01 -0.02 -0.01 -0.02 0.00 0.00 -0.03 0.00 -0.00 0.08 0.00 -0.01 0.08 0.01 -0.02 0.04 -0.05 0.02 -0.02 0.05 -0.06 0.02 -0.09 0.02 0.03 -0.03 -0.01 -0.03 -0.05 0.06 0.03 -0.06 0.04 -0.09 0.04 -0.00 0.03 0.01 -0.01 0.02 -0.11 0.01 0.02 0.17 -0.05 -0.01 -0.01 -0.03 0.02 0.01 -0.00 0.02 -0.25 0.05 0.02 0.33 -0.09 -0.03 -0.03 -0.01 0.02 0.03 0.04 -0.02 0.00 0.03 0.04 -0.01 0.03 0.04 0.02 0.02 0.01 -0.01 0.02 -0.00 0.05 -0.00 -0.00 0.03 -0.00 -0.05 -0.05 0.07 -0.05 -0.08 0.11 0.05 -0.08 0.07 0.04 -0.05 0.02 -0.19 0.05 0.05 -0.09 0.09 -0.07 0.02 -0.47 0.10 0.03 0.53 -0.13 -0.05 -0.05 -0.02 -0.06 0.01 0.06 0.07 -0.02 0.05 0.07 -0.01 0.02 -0.06 -0.01 0.01 -0.01 0.07 -0.00 0.17 0.00 0.12 0.05 -0.07 -0.13 0.08 0.01 0.06 0.06 0.00 -0.04 0.00 -0.03 0.01 -0.16 -0.02 0.03 0.16 -0.02 -0.03 -0.15 0.02 0.00 0.02 -0.15 -0.01 -0.06 -0.09 0.02 0.02 0.13 -0.06 -0.06 0.06 0.01 -0.19 0.01 -0.00 0.02 -0.12 -0.01 -0.13 0.04 0.03 -0.09 -0.01 0.03 -0.09 0.10 0.01 0.00 0.07 -0.05 -0.07 0.03 0.01 -0.09 -0.06 0.01 -0.09 0.18 -0.00 -0.03 0.17 -0.06 0.02 -0.12 0.07 -0.01 0.03 0.02 0.03 0.06 0.00 0.01 -0.08 0.04 -0.02 -0.00 -0.03 0.00 0.00 -0.03 0.01 0.00 -0.03 -0.14 0.16 0.01 0.07 0.16 0.02 -0.23 -0.00 -0.12 -0.25 -0.05 0.08 0.12 -0.15 -0.07 -0.04 -0.22 0.05 -0.09 -0.16 0.04 -0.11 0.25 -0.02 -0.07 0.28 -0.10 -0.04 0.06 0.03 0.06 0.12 -0.00 0.03 0.04 0.02 -0.05 0.02 -0.08 0.01 0.01 -0.03 0.10 -0.01 0.09 0.03 -0.04 -0.10 0.06 0.03 0.05 0.05 -0.00 -0.04 0.04 0.04 -0.01 0.23 0.02 -0.04 -0.06 0.03 0.01 -0.10 -0.11 0.05 -0.07 0.26 -0.04 -0.06 -0.06 0.02 -0.01 -0.13 0.06 -0.04 -0.06 -0.05 -0.09 -0.07 -0.04 -0.10 0.17 0.01 -0.10 -0.05 0.03 -0.08 0.02 0.02 -0.08 0.00 0.02 -0.03 -0.03 0.03 -0.06 0.03 0.01 -0.08 0.09 -0.01 -0.07 0.03 0.03 0.01 -0.17 0.04 0.02 0.11 -0.05 0.01 -0.06 -0.01 -0.01 -0.07 0.02 0.05 0.08 -0.03 -0.02 0.03 -0.02 -0.00 -0.07 -0.02 0.01 -0.05 -0.02 0.09 -0.11 -0.12 -0.21 -0.17 -0.09 -0.12 -0.03 -0.09 -0.12 -0.07 -0.01 -0.26 0.18 0.07 -0.02 0.28 -0.06 -0.07 0.13 -0.02 -0.08 0.02 0.03 0.05 -0.28 0.08 0.01 -0.10 0.00 -0.03 -0.17 0.03 -0.03 0.13 0.08 0.00 0.10 -0.15 0.00 -0.10 -0.02 -0.07 0.01 -0.03 0.05 -0.04 -0.11 0.01 0.01 0.03 0.05 0.00 0.00 0.00 0.00 -0.00 -0.05 0.00 0.00 -0.14 -0.01 0.03 0.01 0.04 0.21 0.03 -0.00 0.05 -0.03 -0.08 -0.03 -0.03 -0.03 0.04 0.12 -0.06 -0.03 0.14 0.14 0.13 0.14 -0.10 0.01 -0.03 0.00 0.02 -0.00 0.01 -0.01 -0.06 0.05 -0.01 0.02 -0.01 0.06 -0.03 0.03 -0.03 -0.00 0.01 -0.01 -0.05 0.12 -0.02 0.05 -0.02 0.04 -0.03 0.01 -0.05 0.03 -0.00 -0.02 -0.05 -0.02 -0.02 -0.05 0.00 -0.03 -0.03 0.02 -0.05 -0.00 -0.02 -0.01 -0.01 -0.01 0.01 0.21 -0.26 0.02 0.03 -0.03 -0.22 0.18 0.27 0.29 0.28 0.23 -0.02 0.20 -0.17 -0.09 0.21 -0.14 0.12 0.00 -0.04 -0.01 -0.07 0.16 -0.03 0.08 -0.03 0.06 0.08 -0.01 -0.06 -0.08 -0.03 -0.03 -0.03 0.09 0.03 -0.05 0.06 -0.13 0.02 -0.03 -0.01 -0.03 -0.00 -0.02 0.03 -0.01 -0.05 -0.01 -0.01 0.01 0.02 0.00 0.01 0.04 -0.01 0.01 -0.00 -0.01 0.01 0.11 0.00 -0.02 0.02 0.01 0.13 -0.02 -0.11 0.04 -0.02 0.03 -0.05 0.00 0.04 -0.02 -0.07 -0.08 -0.04 0.04 0.05 0.04 -0.14 0.17 0.00 0.00 0.01 0.02 0.02 -0.00 -0.00 -0.03 -0.03 0.02 -0.02 -0.01 -0.02 -0.01 -0.03 -0.01 0.02 -0.00 -0.00 -0.02 -0.08 0.03 -0.02 0.05 -0.03 0.02 -0.03 0.02 -0.01 0.03 -0.00 0.01 0.03 0.01 0.04 -0.02 0.01 -0.02 -0.03 -0.03 -0.00 0.02 -0.01 -0.01 0.02 0.01 0.10 -0.26 -0.05 -0.30 -0.20 -0.14 0.07 0.07 0.14 0.08 0.14 -0.05 -0.25 0.36 0.29 -0.17 0.35 -0.27 0.02 0.02 -0.02 -0.04 -0.12 0.03 -0.03 0.10 -0.04 -0.04 0.06 0.01 0.01 0.06 -0.00 -0.03 -0.08 -0.09 -0.03 -0.06 0.03 0.02 0.04 -0.01 0.01 -0.02 -0.00 0.00 -0.00 -0.02 0.00 -0.06 0.01 0.00 0.00 0.00 0.01 0.01 -0.00 0.03 0.01 -0.02 -0.01 0.01 0.00 -0.00 0.00 0.03 -0.01 0.04 -0.01 -0.00 -0.05 0.01 0.00 -0.01 0.01 -0.00 -0.02 0.01 -0.04 -0.01 0.02 0.01 -0.06 0.01 -0.01 0.05 -0.01 -0.00 0.07 -0.02 -0.01 0.02 -0.00 -0.00 0.01 0.01 -0.00 -0.00 -0.00 -0.00 0.06 -0.02 -0.01 -0.02 0.01 0.00 -0.02 0.01 0.01 0.01 -0.00 0.00 -0.01 0.00 0.00 -0.01 0.01 0.01 0.01 -0.01 0.00 -0.21 0.03 -0.01 0.23 -0.02 -0.01 0.18 -0.01 0.01 -0.03 0.00 0.00 -0.01 -0.03 -0.05 -0.04 -0.02 -0.08 -0.01 0.05 0.02 -0.12 -0.07 0.04 -0.09 0.08 -0.00 0.04 -0.01 -0.01 -0.06 0.02 0.01 -0.03 0.01 0.01 -0.03 0.01 -0.00 -0.02 0.01 0.15 -0.50 -0.26 -0.11 -0.42 0.38 -0.02 0.34 -0.03 0.04 0.02 0.03 -0.07 -0.01 -0.01 0.05 -0.01 0.01 -0.03 -0.01 -0.04 -0.09 -0.02 0.01 -0.07 0.00 0.01 -0.05 -0.01 0.01 -0.03 -0.10 -0.09 0.08 -0.08 0.01 -0.00 -0.06 0.13 0.04 -0.01 -0.04 0.10 -0.00 0.00 0.21 -0.01 -0.02 0.01 0.16 -0.03 -0.02 -0.11 -0.03 -0.06 -0.00 -0.00 -0.01 -0.02 -0.04 0.06 -0.03 -0.03 -0.03 0.06 0.03 -0.06 0.11 0.00 0.01 0.06 -0.02 0.02 0.00 -0.01 -0.01 0.00 0.01 0.01 0.03 0.01 0.03 0.01 -0.01 -0.05 -0.01 0.01 0.02 -0.04 0.11 -0.02 0.05 0.01 0.01 0.04 -0.04 0.08 -0.02 0.02 0.05 -0.07 0.07 0.24 0.15 0.19 0.42 -0.05 -0.16 -0.07 0.32 0.20 -0.03 0.30 -0.25 -0.07 0.16 0.00 0.06 0.09 -0.01 -0.02 0.01 -0.03 0.01 0.07 -0.00 0.06 0.03 -0.01 0.09 -0.08 0.07 0.00 -0.07 0.16 -0.09 0.08 0.01 0.06 -0.01 -0.04 -0.09 -0.01 -0.04 0.07 0.00 -0.06 -0.08 -0.00 -0.01 0.16 0.02 -0.01 0.07 -0.01 -0.02 0.08 0.00 -0.02 -0.03 0.09 -0.05 -0.12 -0.02 0.04 0.05 0.05 0.17 -0.08 0.03 0.08 -0.09 -0.10 -0.05 0.06 0.10 0.06 -0.05 -0.13 -0.01 -0.03 0.03 -0.06 -0.04 -0.00 -0.05 -0.01 0.00 -0.06 -0.10 0.02 0.08 0.01 0.00 0.04 -0.05 -0.02 0.01 0.02 -0.00 -0.01 -0.03 0.02 0.04 0.01 -0.02 -0.02 -0.01 -0.01 -0.02 -0.07 0.01 0.03 0.07 -0.01 -0.03 0.06 0.04 0.17 0.02 -0.01 0.06 0.06 -0.02 -0.02 0.05 -0.34 -0.00 -0.21 -0.10 -0.26 0.15 0.13 0.30 0.24 0.16 -0.11 0.02 -0.20 -0.11 0.01 -0.18 0.12 -0.07 -0.04 0.04 0.06 -0.01 0.00 0.04 0.05 0.07 -0.01 -0.02 -0.02 -0.14 0.01 0.00 0.07 0.05 0.18 0.11 0.06 0.16 -0.09 -0.03 0.07 -0.02 0.02 0.08 0.04 0.02 0.08 -0.11 0.01 0.23 0.15 -0.01 -0.17 0.13 0.01 -0.01 0.04 -0.01 -0.02 0.05 -0.00 -0.02 0.06 0.04 -0.28 -0.08 -0.04 0.02 -0.08 -0.03 -0.06 -0.06 0.02 0.07 -0.03 -0.07 -0.02 0.18 -0.00 -0.02 -0.03 -0.09 -0.03 0.09 0.01 -0.03 0.01 0.02 0.05 0.08 0.02 -0.02 -0.08 0.00 0.07 -0.04 0.01 0.00 0.00 0.01 0.02 0.04 0.02 -0.04 -0.03 0.02 0.04 0.00 -0.01 -0.01 -0.02 -0.01 -0.01 -0.06 0.01 0.03 0.04 -0.01 -0.02 -0.13 -0.03 -0.06 -0.17 0.00 -0.09 -0.18 0.00 -0.07 -0.01 -0.18 0.03 -0.06 -0.08 -0.06 0.29 0.03 0.25 0.41 -0.00 -0.20 0.02 -0.12 -0.08 0.01 -0.12 0.05 0.03 -0.01 0.00 0.08 0.02 -0.03 0.02 0.04 0.06 -0.02 -0.00 -0.01 -0.11 0.02 0.00 -0.11 -0.04 -0.07 -0.14 -0.04 -0.05 -0.16 0.01 -0.09 -0.06 0.04 0.17 0.03 0.01 0.02 0.02 -0.02 -0.15 -0.03 0.02 0.19 0.10 0.01 -0.01 0.03 -0.01 -0.02 0.03 -0.01 -0.02 -0.08 -0.02 -0.19 -0.06 -0.05 0.01 -0.01 -0.12 -0.19 -0.05 0.01 0.06 -0.02 0.02 -0.03 0.12 0.04 -0.04 -0.03 -0.02 -0.05 -0.03 -0.13 0.05 -0.05 -0.03 0.08 -0.00 -0.04 0.04 -0.06 -0.00 0.05 -0.00 0.06 -0.06 -0.02 0.09 -0.04 -0.02 0.09 -0.03 -0.03 0.01 0.03 -0.00 -0.01 -0.00 -0.02 0.01 -0.00 -0.05 0.01 0.02 0.03 -0.01 -0.02 0.04 -0.06 -0.23 0.15 0.03 -0.03 0.10 0.04 0.10 -0.09 0.01 0.02 0.02 0.03 0.01 0.20 0.16 0.22 0.37 0.00 -0.21 0.03 -0.01 -0.06 -0.02 -0.04 -0.02 -0.00 0.13 -0.06 -0.06 0.14 -0.05 0.01 0.03 0.05 -0.02 0.02 -0.01 -0.09 0.02 0.01 0.05 -0.05 -0.21 -0.04 -0.07 -0.23 0.33 0.05 -0.05 -0.04 0.02 0.18 -0.10 -0.04 -0.10 0.02 0.00 -0.03 -0.00 0.00 0.04 -0.11 -0.01 0.01 -0.02 0.01 0.03 -0.03 0.02 0.02 0.10 0.08 -0.14 0.06 0.05 0.01 -0.03 0.08 -0.03 0.05 -0.01 -0.06 0.02 -0.18 0.02 0.01 -0.08 0.07 0.01 -0.03 0.09 0.08 0.23 -0.08 0.01 0.13 0.05 -0.00 0.11 -0.11 0.07 0.01 -0.05 -0.03 -0.09 0.02 -0.00 -0.10 0.06 -0.00 -0.11 -0.02 0.05 -0.01 -0.04 0.01 0.00 -0.01 0.05 -0.02 -0.01 0.06 -0.01 -0.03 -0.03 0.01 0.02 -0.00 0.02 -0.05 0.03 -0.02 -0.01 0.02 -0.02 0.02 0.29 -0.42 -0.03 -0.24 -0.26 -0.23 0.03 -0.18 0.03 -0.03 -0.07 0.10 -0.10 -0.05 0.11 0.06 0.04 0.05 0.04 -0.21 0.04 0.06 -0.21 0.02 0.03 -0.03 -0.05 0.06 -0.04 -0.01 0.08 -0.02 -0.02 -0.03 0.02 -0.06 0.02 0.02 -0.03 0.06 -0.03 -0.01 0.04 -0.01 -0.09 0.11 0.03 0.13 0.01 -0.00 -0.01 -0.00 0.00 0.01 -0.16 -0.04 0.02 0.02 0.01 0.10 0.06 0.08 0.03 -0.15 0.05 -0.13 0.04 0.05 0.06 -0.01 -0.01 -0.02 0.00 -0.01 -0.06 -0.04 -0.12 -0.02 -0.02 0.05 0.08 0.01 -0.03 0.12 -0.11 -0.00 0.00 -0.09 -0.02 -0.05 0.01 0.01 0.07 0.04 0.01 -0.04 -0.01 0.00 -0.02 -0.08 -0.01 -0.04 -0.01 0.02 0.02 0.06 -0.02 -0.06 0.01 -0.02 -0.06 0.05 -0.02 -0.07 0.01 -0.04 -0.07 -0.01 0.01 0.03 -0.01 -0.01 -0.02 0.01 -0.00 -0.00 0.01 0.00 0.00 0.29 -0.44 -0.07 -0.34 -0.19 -0.35 0.03 0.12 0.25 0.14 0.03 -0.04 -0.01 -0.06 0.08 0.06 -0.01 0.14 -0.12 -0.01 -0.01 -0.07 0.03 -0.00 0.07 -0.03 -0.05 0.08 -0.03 -0.09 0.01 -0.06 -0.07 -0.01 -0.01 -0.02 -0.02 -0.01 -0.02 0.02 -0.00 -0.00 -0.02 0.01 0.04 -0.05 -0.01 -0.06 -0.01 -0.00 0.01 0.00 -0.00 -0.01 -0.08 -0.14 0.09 -0.01 0.02 0.19 0.23 0.08 -0.05 0.06 -0.00 0.05 -0.05 0.05 0.05 0.02 -0.02 0.01 -0.12 0.08 -0.04 0.03 0.07 -0.02 0.02 0.01 -0.05 0.05 0.00 0.01 0.05 -0.05 0.01 0.04 -0.02 0.03 0.00 -0.04 -0.02 -0.05 -0.07 0.03 0.01 0.03 -0.00 0.04 0.03 0.01 0.01 0.02 -0.01 0.01 -0.21 0.00 -0.04 0.06 -0.14 -0.03 0.19 -0.19 -0.11 -0.07 -0.09 0.02 -0.01 0.03 0.01 -0.01 0.01 -0.00 0.01 -0.00 -0.01 0.01 -0.00 -0.05 0.18 -0.03 0.13 0.10 0.08 -0.00 -0.01 -0.12 -0.05 0.02 -0.01 0.13 -0.06 -0.09 0.08 -0.06 0.13 0.06 0.05 -0.01 0.04 0.04 -0.01 0.09 -0.37 0.08 -0.01 0.41 -0.27 -0.17 -0.21 -0.09 0.02 -0.02 0.01 0.01 -0.02 0.02 -0.01 0.01 -0.00 0.01 -0.01 -0.03 0.04 0.01 0.04 0.01 0.00 -0.01 -0.00 0.00 0.01 0.15 -0.06 0.04 -0.20 0.02 -0.07 -0.05 -0.17 -0.08 -0.05 0.00 -0.04 0.02 0.07 -0.08 -0.02 0.02 -0.01 0.08 0.10 0.01 -0.02 -0.07 0.02 -0.02 -0.02 0.05 -0.04 -0.01 -0.02 -0.04 0.06 -0.01 -0.04 0.03 -0.02 -0.00 0.05 0.01 0.05 -0.09 0.02 -0.01 -0.03 0.00 -0.04 -0.03 -0.01 -0.01 -0.02 0.01 0.03 -0.22 0.10 0.02 0.16 0.05 0.01 0.29 0.03 0.09 0.03 0.08 -0.01 -0.03 -0.03 -0.01 0.01 -0.01 0.00 0.00 0.00 0.01 -0.01 0.00 0.05 -0.16 0.03 -0.10 -0.09 -0.07 -0.01 -0.01 0.09 0.02 -0.03 0.02 -0.14 -0.03 -0.01 -0.02 0.03 -0.05 -0.05 -0.05 0.01 -0.03 -0.05 0.01 0.01 -0.41 0.12 -0.04 0.55 -0.02 0.14 -0.09 0.13 -0.02 0.01 -0.01 -0.01 0.01 -0.01 0.01 0.00 0.00 -0.01 -0.00 0.01 0.09 0.00 0.07 0.11 0.00 -0.05 -0.02 0.00 0.01 0.01 0.04 -0.03 0.08 -0.03 0.00 0.02 0.06 0.02 -0.00 -0.11 0.05 -0.02 -0.07 -0.01 -0.08 0.06 -0.02 -0.07 0.11 -0.00 0.15 0.01 0.03 0.10 -0.07 -0.02 0.06 0.02 -0.09 -0.02 0.15 -0.03 -0.05 0.14 -0.03 -0.01 0.17 -0.01 -0.05 0.04 0.02 -0.09 -0.12 -0.07 -0.09 -0.10 -0.07 -0.06 -0.10 -0.07 -0.05 -0.03 0.03 -0.03 -0.07 -0.01 -0.05 0.02 -0.03 -0.07 -0.12 0.02 0.00 -0.01 -0.00 -0.13 0.02 0.06 -0.06 0.00 0.10 0.01 -0.01 -0.00 -0.09 0.21 0.09 0.36 0.07 0.24 0.06 0.05 -0.02 0.13 -0.12 -0.01 0.00 0.09 0.01 0.08 0.11 -0.19 -0.06 -0.17 -0.09 -0.12 -0.20 -0.06 -0.02 -0.08 0.05 -0.05 0.09 -0.05 -0.09 -0.25 0.04 -0.20 0.00 0.04 -0.16 0.01 0.07 -0.12 -0.01 0.10 0.01 0.00 -0.01 -0.04 -0.00 -0.03 -0.05 -0.00 0.02 0.01 -0.00 0.00 -0.04 0.12 -0.09 0.08 -0.05 -0.06 -0.08 0.05 0.10 -0.00 0.04 -0.02 0.02 -0.07 0.02 0.03 -0.02 0.01 0.00 0.30 -0.08 -0.05 -0.01 -0.01 -0.03 0.03 0.01 -0.02 -0.02 0.02 0.00 -0.05 0.01 0.01 -0.05 0.01 0.00 -0.05 0.00 0.01 0.10 -0.04 0.03 0.04 0.03 0.03 0.03 0.03 0.02 0.03 0.03 0.01 -0.11 0.02 0.02 -0.14 0.06 0.00 0.09 0.01 0.05 -0.28 0.09 -0.00 -0.01 -0.00 0.05 -0.00 -0.03 0.03 -0.01 -0.05 -0.00 0.01 0.00 0.02 -0.07 -0.01 -0.10 -0.02 -0.07 -0.02 -0.01 0.02 -0.04 0.04 0.01 0.00 -0.00 0.03 -0.04 -0.03 0.01 0.02 0.06 0.04 0.05 0.06 0.04 0.00 -0.27 0.05 -0.02 0.26 -0.03 0.09 -0.64 0.19 0.08 0.01 -0.02 0.07 0.00 -0.04 0.06 -0.01 -0.05 0.07 -0.03 -0.13 -0.05 -0.01 -0.02 -0.08 0.00 0.01 0.03 0.01 0.07 0.01 -0.01 0.01 0.02 -0.00 0.02 0.03 0.02 -0.01 -0.05 -0.09 -0.04 -0.01 -0.02 -0.02 -0.07 0.04 0.02 -0.04 -0.01 0.03 0.10 -0.01 0.02 0.08 -0.06 -0.01 0.04 0.02 -0.06 -0.05 0.10 -0.04 -0.04 0.12 -0.04 -0.04 0.12 -0.00 -0.03 -0.01 0.03 -0.00 -0.04 0.25 0.00 -0.03 0.22 -0.01 0.00 0.23 -0.03 0.01 0.02 -0.02 -0.00 -0.02 -0.03 -0.01 -0.02 -0.05 0.01 -0.01 0.00 -0.00 -0.00 0.09 -0.01 -0.19 0.08 -0.01 -0.17 -0.01 -0.03 0.02 -0.04 0.10 0.06 0.22 0.02 0.15 0.07 0.07 0.05 0.17 -0.12 -0.05 -0.02 0.06 0.01 0.06 0.08 -0.13 -0.08 -0.08 0.31 0.12 -0.03 0.28 -0.01 0.03 0.02 -0.01 -0.02 -0.02 -0.08 0.03 -0.03 0.18 -0.01 -0.19 0.17 -0.02 -0.14 0.23 0.01 -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 -0.10 -0.06 -0.06 -0.04 0.00 0.09 -0.06 0.07 0.05 0.00 -0.04 0.03 -0.03 -0.02 -0.14 0.00 0.01 -0.00 0.07 0.05 0.16 -0.16 -0.01 -0.01 -0.00 -0.02 -0.03 -0.15 -0.06 -0.17 0.00 0.01 0.00 0.01 0.02 -0.00 0.00 0.03 -0.00 0.04 0.02 0.14 0.00 -0.02 -0.00 0.01 -0.01 -0.00 0.00 -0.01 0.00 0.19 0.04 0.10 0.09 -0.04 -0.07 0.20 0.01 -0.06 0.03 0.02 -0.02 0.01 -0.02 -0.03 -0.00 0.00 0.00 -0.00 -0.01 0.00 -0.00 0.01 -0.00 -0.36 0.10 0.07 0.01 0.04 0.15 0.07 -0.01 0.14 0.10 0.06 -0.15 -0.19 -0.04 -0.13 -0.20 -0.07 -0.20 0.01 -0.00 -0.00 -0.00 -0.03 0.00 0.37 0.12 0.18 0.31 0.03 -0.15 -0.09 0.04 -0.07 -0.01 0.00 0.00 0.00 0.00 0.00 -0.00 -0.03 0.01 0.01 -0.01 -0.04 -0.00 -0.00 -0.01 0.06 -0.03 -0.02 0.00 -0.06 0.02 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.01 0.00 0.05 0.03 -0.03 -0.00 0.00 0.01 -0.08 -0.00 -0.02 0.00 -0.00 -0.00 -0.01 -0.00 -0.00 0.01 -0.01 -0.01 -0.00 -0.00 0.01 0.04 -0.01 0.01 0.03 -0.03 0.02 -0.01 -0.02 0.01 0.00 -0.00 -0.00 -0.04 0.03 0.05 0.03 0.01 0.07 -0.02 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 -0.09 0.02 -0.02 -0.04 -0.19 0.05 -0.04 0.48 -0.05 0.01 -0.01 -0.01 -0.02 -0.01 0.00 0.01 -0.06 -0.04 -0.02 -0.00 0.01 0.00 -0.01 -0.00 -0.00 -0.01 0.02 0.03 0.04 0.06 0.03 0.04 0.06 -0.01 -0.00 -0.01 -0.00 0.00 0.00 0.01 0.01 0.00 -0.22 0.14 0.11 -0.01 0.11 -0.17 -0.02 -0.72 0.10 -0.03 0.02 0.10 0.01 -0.00 0.02 -0.15 -0.02 0.07 0.01 -0.04 -0.04 0.01 -0.00 0.00 0.01 -0.00 0.00 0.01 0.00 -0.01 -0.14 -0.08 0.08 0.00 -0.01 -0.01 0.21 0.05 0.04 -0.02 -0.01 0.01 0.06 0.00 0.01 -0.02 0.02 0.05 0.03 0.02 -0.03 -0.12 0.04 -0.04 -0.09 0.04 -0.06 0.04 0.12 -0.04 -0.01 -0.00 0.01 0.12 -0.09 -0.11 -0.09 -0.06 -0.15 0.07 -0.08 -0.10 -0.02 0.01 0.01 -0.02 0.00 -0.00 -0.02 -0.01 -0.00 -0.02 0.00 -0.00 -0.01 -0.00 -0.00 0.26 0.04 0.02 0.14 -0.11 -0.09 0.03 0.25 -0.02 0.02 0.01 0.03 0.09 0.03 -0.00 -0.05 0.16 0.09 0.06 -0.02 0.02 -0.01 0.05 0.02 0.04 0.06 -0.08 -0.09 -0.03 -0.15 -0.06 -0.16 -0.12 -0.02 0.01 0.01 -0.02 -0.01 -0.00 -0.03 0.01 -0.01 0.25 0.09 0.07 0.37 0.08 -0.04 0.16 -0.40 -0.06 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.01 -0.12 0.13 0.00 0.16 0.04 -0.04 -0.07 -0.15 0.00 -0.01 0.01 0.01 -0.09 0.02 -0.00 0.00 -0.00 0.01 0.04 0.00 -0.03 0.00 -0.01 0.01 0.00 -0.01 -0.02 -0.02 -0.01 0.00 -0.00 0.00 0.00 0.01 -0.00 -0.00 0.00 0.00 -0.01 0.23 -0.05 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.02 0.06 -0.01 -0.01 0.15 -0.04 0.03 -0.13 0.03 0.02 -0.16 0.04 -0.01 0.10 -0.03 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.07 0.03 0.00 0.00 0.01 0.03 0.03 0.01 0.04 0.04 0.02 -0.05 0.00 0.03 0.04 -0.05 -0.01 -0.06 0.00 -0.01 0.00 -0.00 0.00 0.00 0.05 -0.27 0.08 0.07 -0.52 0.12 0.04 -0.58 0.15 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.01 -0.03 0.01 -0.00 0.02 -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 0.01 -0.02 -0.02 -0.01 -0.00 -0.00 0.01 0.03 0.02 -0.01 0.00 0.00 -0.01 -0.02 0.01 -0.01 0.02 -0.00 -0.02 -0.01 0.01 0.01 -0.01 -0.00 0.01 0.02 0.42 -0.08 -0.02 -0.37 0.11 0.00 -0.00 -0.00 0.02 -0.03 -0.02 0.01 -0.15 0.01 -0.01 0.12 -0.02 0.00 -0.01 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.02 0.01 0.01 0.01 -0.01 0.01 0.01 0.02 0.00 -0.02 0.02 -0.02 -0.01 -0.01 0.02 0.03 0.03 0.04 0.06 0.00 -0.06 0.01 0.02 0.01 -0.02 0.00 0.01 0.01 -0.56 0.10 -0.05 0.52 -0.12 0.00 -0.01 -0.00 -0.00 0.01 0.00 0.01 0.00 0.00 0.02 0.00 0.01 -0.00 0.01 0.02 0.00 -0.05 0.02 -0.00 0.00 -0.01 -0.00 0.00 -0.01 -0.00 -0.00 0.00 -0.00 -0.00 -0.01 0.03 -0.04 -0.03 0.02 -0.01 0.06 -0.01 0.06 -0.04 -0.01 0.11 -0.08 0.01 -0.04 -0.11 0.02 -0.02 -0.00 -0.01 0.01 0.06 0.17 -0.07 0.08 -0.06 -0.02 0.14 0.03 0.04 -0.12 -0.01 0.01 0.02 0.00 -0.05 0.01 -0.01 -0.10 0.04 -0.01 0.01 0.05 0.01 0.06 -0.02 0.01 0.01 -0.01 -0.01 0.03 0.01 -0.03 0.02 0.07 -0.03 -0.01 -0.02 -0.03 -0.01 0.00 -0.04 -0.01 0.00 -0.01 -0.01 -0.04 0.01 -0.00 0.01 0.00 0.00 0.01 0.00 -0.00 0.00 0.20 -0.24 0.16 0.11 -0.04 -0.09 -0.20 -0.12 -0.25 -0.32 -0.16 0.42 -0.21 0.15 0.09 0.04 0.22 -0.34 0.00 -0.03 0.00 -0.03 0.04 -0.00 -0.01 0.04 0.08 0.00 -0.02 -0.02 -0.07 -0.01 -0.01 0.01 -0.00 0.02 -0.01 -0.00 0.00 -0.00 0.01 0.01 -0.03 -0.00 -0.01 -0.06 -0.02 -0.07 0.00 0.00 0.01 -0.03 -0.01 -0.12 -0.01 0.02 0.02 0.00 0.00 -0.02 0.01 -0.02 0.01 -0.18 -0.07 -0.13 0.00 0.00 0.01 0.19 -0.01 -0.23 -0.01 -0.00 -0.00 0.01 -0.01 -0.01 0.00 -0.01 -0.00 0.02 0.00 -0.00 -0.07 0.02 0.14 0.14 0.03 0.02 -0.09 0.17 0.14 0.00 -0.00 0.00 0.20 -0.06 -0.01 0.23 -0.00 0.03 -0.06 0.01 0.23 -0.00 -0.00 0.00 -0.01 -0.00 -0.01 -0.01 -0.00 -0.01 -0.01 -0.00 -0.01 0.00 0.00 0.01 -0.06 0.01 0.10 -0.01 0.03 0.27 0.05 0.01 0.08 0.01 -0.01 -0.00 0.03 0.00 -0.01 0.03 0.16 0.18 0.22 -0.09 -0.12 0.00 0.01 0.01 0.03 0.02 -0.02 0.15 0.07 0.09 -0.21 -0.03 0.19 -0.00 0.01 0.00 -0.00 0.00 -0.01 -0.01 0.00 -0.01 -0.27 0.00 0.07 -0.24 0.02 0.04 -0.09 0.04 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 0.15 -0.24 -0.25 0.02 -0.08 0.28 -0.15 0.29 -0.15 -0.01 -0.05 0.02 0.04 0.03 0.04 0.01 0.01 -0.02 0.03 -0.02 -0.08 -0.07 0.03 -0.03 0.02 0.01 -0.06 0.01 -0.00 0.10 0.00 -0.01 0.00 0.01 0.03 -0.00 0.00 0.05 -0.01 0.02 -0.03 -0.09 0.01 -0.04 0.01 0.02 0.00 0.01 0.01 -0.00 0.01 -0.07 -0.01 -0.02 -0.02 0.03 0.13 -0.05 0.05 0.20 0.05 0.05 0.14 -0.03 -0.06 -0.21 -0.01 -0.00 0.00 -0.01 0.00 0.02 -0.00 0.00 0.00 0.01 0.07 -0.10 -0.11 -0.01 -0.01 0.08 0.06 0.11 0.14 0.06 -0.18 0.13 -0.06 -0.01 -0.01 -0.10 0.21 0.01 0.04 0.01 0.01 0.02 0.01 -0.26 -0.04 -0.11 -0.15 0.07 0.27 0.21 0.09 0.19 -0.03 -0.01 -0.00 -0.02 -0.00 0.01 -0.01 0.01 0.02 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.01 0.07 -0.13 -0.11 -0.18 0.00 0.09 0.04 0.15 0.00 0.00 -0.00 -0.00 -0.04 0.01 0.00 -0.00 -0.00 0.01 -0.10 0.03 0.01 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.01 -0.00 0.00 0.00 -0.00 -0.01 0.00 -0.00 -0.00 0.00 -0.02 0.18 -0.05 -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 0.30 -0.07 -0.00 0.02 -0.01 0.00 0.03 -0.00 0.02 -0.10 0.02 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.01 0.00 0.01 0.02 0.00 0.01 -0.00 -0.00 -0.01 -0.00 -0.00 0.01 -0.01 0.03 0.03 -0.01 0.02 -0.04 -0.00 -0.04 0.01 -0.01 -0.03 0.01 0.04 -0.56 0.13 0.03 -0.50 0.12 0.03 -0.36 0.10 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.01 0.01 -0.00 0.01 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.02 0.00 -0.00 0.00 0.00 0.01 0.00 -0.01 0.00 -0.00 -0.01 -0.03 0.04 -0.00 0.01 0.01 0.02 -0.06 -0.03 -0.00 -0.00 -0.01 -0.01 -0.00 -0.01 0.01 -0.01 -0.02 0.00 -0.00 0.01 -0.02 0.08 -0.05 -0.04 -0.03 -0.02 0.02 -0.04 -0.01 0.00 -0.01 -0.00 0.02 0.35 -0.06 -0.03 -0.08 0.04 0.03 -0.08 0.04 0.00 -0.00 -0.01 0.00 -0.01 0.01 0.00 0.00 0.01 0.00 -0.00 0.01 -0.00 0.00 -0.00 -0.01 -0.01 -0.01 0.01 0.00 0.04 0.01 0.01 0.02 -0.05 0.06 -0.02 0.04 0.00 0.05 0.03 0.04 0.06 0.08 0.01 -0.08 0.01 -0.01 0.00 0.01 -0.00 0.02 -0.07 -0.61 0.18 0.06 -0.59 0.17 -0.01 0.01 -0.02 -0.00 0.02 0.01 0.01 0.02 0.00 -0.01 0.01 0.01 -0.07 0.00 -0.04 0.02 0.01 0.04 0.01 0.00 0.05 -0.03 0.01 0.03 0.03 0.00 -0.01 -0.01 -0.00 -0.03 0.00 0.00 0.00 0.00 -0.01 -0.00 0.01 0.00 0.00 -0.05 -0.03 0.11 0.01 -0.01 -0.02 0.03 -0.01 -0.15 0.00 0.00 0.01 0.00 0.03 0.01 -0.07 0.07 0.08 0.01 0.01 -0.01 -0.05 -0.07 -0.17 -0.13 0.02 -0.11 0.18 -0.04 -0.17 0.00 0.01 0.01 0.11 -0.07 0.14 -0.06 0.03 0.10 0.26 0.03 0.01 -0.01 0.01 0.02 -0.01 0.00 -0.01 -0.01 -0.00 -0.01 -0.00 -0.00 -0.01 -0.00 -0.00 0.00 -0.13 -0.02 -0.07 -0.06 0.01 0.10 -0.02 0.00 0.04 0.07 -0.08 0.02 -0.06 0.04 -0.12 -0.10 0.06 -0.01 -0.11 0.05 0.12 0.01 0.02 -0.01 -0.01 0.01 -0.03 -0.23 0.17 0.23 0.50 0.20 0.04 -0.00 -0.01 0.03 0.00 -0.02 -0.02 -0.01 -0.01 -0.02 -0.25 -0.01 -0.07 -0.24 -0.02 -0.09 -0.03 0.02 0.10 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.01 -0.01 -0.05 -0.07 -0.02 0.03 0.01 -0.03 0.00 0.01 -0.01 -0.02 0.00 -0.02 0.00 0.04 0.00 -0.00 0.01 0.33 0.09 0.22 -0.03 0.02 -0.00 0.00 0.01 -0.02 0.03 0.02 0.10 0.00 -0.01 0.01 0.02 0.01 0.00 -0.00 0.02 0.00 0.00 0.02 0.09 -0.00 0.02 -0.01 0.02 -0.01 -0.00 -0.01 -0.01 -0.00 -0.29 0.02 0.15 0.05 -0.03 -0.12 -0.34 -0.08 -0.23 0.27 -0.03 -0.19 0.04 0.00 -0.00 0.00 0.00 0.01 -0.01 -0.00 -0.02 -0.01 -0.00 -0.02 0.05 0.03 -0.06 -0.08 -0.01 -0.02 0.03 0.02 0.06 0.06 0.02 -0.07 0.08 -0.02 0.04 0.04 -0.02 0.15 0.03 -0.05 -0.00 -0.01 -0.06 0.01 -0.16 0.04 0.21 -0.31 -0.08 -0.25 0.08 -0.07 -0.26 0.01 0.00 0.01 0.01 0.00 0.01 -0.03 -0.01 -0.02 -0.02 0.00 0.02 -0.03 -0.00 -0.02 0.08 0.00 -0.02 0.04 0.02 0.17 0.02 0.04 0.05 0.02 -0.06 -0.01 0.02 0.02 -0.04 -0.13 -0.07 -0.02 0.08 -0.00 -0.06 0.08 0.01 0.03 -0.03 -0.01 -0.02 -0.04 0.03 0.00 -0.07 0.04 0.05 0.01 0.01 -0.01 -0.02 -0.05 0.05 0.10 0.05 -0.03 0.05 0.06 0.02 0.06 0.01 0.01 0.12 0.05 -0.05 0.14 -0.04 -0.03 0.08 -0.04 0.00 0.01 0.02 0.08 -0.08 0.00 -0.01 -0.01 0.01 0.04 -0.05 -0.02 -0.04 -0.06 -0.01 0.02 -0.05 0.01 0.07 -0.27 -0.04 -0.24 -0.22 -0.04 -0.26 0.06 -0.07 -0.02 -0.13 0.02 -0.13 -0.04 0.12 0.17 0.08 -0.01 -0.04 0.02 0.01 -0.01 -0.06 -0.02 -0.03 0.14 -0.19 0.00 0.04 -0.18 0.02 -0.03 -0.01 0.07 0.07 -0.02 -0.01 -0.03 -0.02 -0.04 0.03 -0.01 0.06 0.01 0.02 0.06 -0.52 -0.05 -0.24 0.01 -0.00 -0.01 0.01 0.00 0.01 -0.03 -0.00 0.01 -0.02 -0.01 -0.06 0.06 0.12 0.15 0.06 -0.19 -0.01 0.05 0.08 -0.15 0.06 -0.01 0.01 0.24 0.01 -0.14 -0.06 -0.00 0.01 -0.01 -0.01 -0.04 -0.15 0.01 -0.00 -0.01 -0.03 -0.05 -0.02 -0.01 0.04 0.03 0.01 -0.01 -0.01 -0.01 0.02 -0.02 -0.01 -0.01 0.20 0.03 0.05 -0.07 -0.00 0.01 -0.04 0.01 0.01 -0.04 0.00 -0.02 -0.03 0.07 0.27 -0.24 -0.01 -0.04 -0.07 0.02 0.09 -0.07 -0.05 -0.18 -0.19 -0.02 0.04 0.02 -0.01 -0.03 0.11 0.01 0.09 0.09 0.02 0.10 -0.01 0.00 -0.11 -0.27 -0.07 -0.02 0.10 -0.08 0.16 0.09 0.09 -0.19 0.03 -0.03 0.01 -0.19 -0.12 0.02 -0.01 0.02 -0.01 -0.02 0.01 -0.02 -0.14 0.01 0.23 0.18 -0.05 -0.08 -0.04 -0.07 -0.17 0.00 0.00 -0.02 0.01 -0.01 -0.02 0.21 0.04 0.08 0.00 0.01 0.02 0.00 0.01 0.00 0.01 0.00 -0.00 0.01 0.00 0.03 0.00 0.01 0.02 0.00 -0.03 0.00 -0.00 0.01 -0.03 0.01 0.04 0.04 0.00 0.02 0.04 0.09 -0.01 -0.06 0.02 -0.00 -0.01 0.01 -0.10 -0.02 0.04 -0.07 -0.09 0.00 -0.04 0.02 -0.05 0.33 -0.11 -0.06 -0.21 -0.01 -0.05 -0.20 0.07 0.01 0.00 -0.00 0.08 -0.07 0.01 -0.05 0.06 -0.04 -0.02 0.09 0.08 -0.00 -0.00 0.00 -0.01 -0.00 0.00 -0.01 0.00 0.00 0.02 -0.00 -0.02 -0.02 -0.00 0.01 0.01 -0.00 0.04 -0.06 -0.00 -0.03 -0.04 -0.01 -0.07 -0.25 0.23 -0.03 0.28 -0.03 0.28 0.10 0.02 0.13 0.14 0.07 -0.24 -0.12 0.02 0.13 0.09 0.11 -0.08 -0.13 0.31 -0.01 -0.08 0.31 0.01 -0.02 -0.01 -0.00 0.00 0.00 -0.01 0.03 0.00 -0.02 -0.03 0.00 0.03 -0.01 0.01 0.01 -0.16 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 -0.01 0.00 -0.15 -0.23 -0.00 0.28 -0.01 0.08 -0.13 0.25 -0.04 -0.10 0.00 0.19 -0.01 -0.14 -0.04 0.00 0.03 -0.16 0.00 -0.08 -0.07 0.07 0.01 -0.04 -0.02 0.02 0.04 0.03 0.04 0.02 0.16 -0.05 0.05 -0.08 0.01 -0.00 -0.09 0.00 0.09 -0.04 0.03 -0.02 -0.01 0.00 0.06 0.02 0.01 -0.01 0.02 -0.04 -0.08 0.06 0.17 -0.06 0.03 -0.03 -0.07 -0.01 0.10 -0.16 -0.04 -0.04 0.15 0.01 -0.03 -0.00 -0.00 -0.01 0.02 0.00 0.00 0.01 0.00 0.02 0.19 -0.07 -0.10 -0.31 -0.03 -0.16 0.04 0.03 0.23 0.15 -0.03 -0.11 0.14 -0.00 -0.05 -0.15 -0.12 0.05 0.10 0.08 -0.04 0.02 0.06 -0.04 -0.22 0.10 0.09 -0.01 -0.02 0.05 -0.19 -0.08 -0.04 0.01 -0.00 -0.01 0.02 -0.00 -0.01 0.05 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 -0.03 -0.01 0.03 0.06 0.00 -0.06 0.00 -0.03 0.03 -0.07 -0.18 -0.18 -0.02 -0.05 -0.02 0.03 -0.14 0.01 0.11 0.04 -0.04 0.05 0.00 0.08 -0.01 -0.10 0.04 0.13 0.05 0.04 -0.06 0.04 0.23 -0.06 0.18 -0.10 0.02 0.04 -0.13 -0.04 -0.05 0.08 -0.02 -0.08 -0.01 0.00 0.22 0.04 0.06 0.03 -0.00 -0.15 0.02 -0.05 -0.07 0.04 -0.06 0.02 0.02 0.03 -0.05 0.03 0.04 0.04 -0.03 -0.00 0.01 -0.03 -0.01 -0.04 0.05 0.00 0.02 0.03 0.01 0.09 0.10 -0.09 0.02 -0.07 0.13 -0.25 -0.08 0.23 0.30 0.17 -0.10 0.01 0.13 0.05 -0.08 0.06 0.01 -0.01 0.36 0.04 -0.08 0.14 0.04 -0.13 0.09 -0.17 -0.02 -0.03 0.03 -0.02 0.02 0.09 0.02 0.03 0.00 -0.03 0.05 -0.01 -0.02 0.19 0.04 0.01 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.01 -0.02 -0.01 0.04 0.08 -0.01 -0.02 -0.01 0.00 0.03 0.03 0.00 0.04 -0.04 0.00 0.02 -0.00 -0.01 -0.00 -0.20 0.03 -0.01 -0.02 0.00 0.01 -0.01 -0.02 -0.00 -0.02 0.01 -0.01 -0.04 0.01 -0.02 0.01 -0.01 -0.01 0.02 0.00 -0.01 0.34 -0.08 0.01 0.00 -0.00 -0.03 -0.01 -0.01 -0.01 -0.00 0.02 -0.00 -0.10 0.07 0.01 -0.27 0.06 -0.02 0.17 -0.02 -0.03 0.12 -0.05 0.01 -0.00 -0.00 0.00 0.00 0.00 -0.01 -0.00 -0.00 -0.00 -0.00 -0.01 -0.03 0.02 -0.01 0.02 -0.02 0.04 0.02 -0.03 -0.02 -0.01 0.03 -0.03 -0.03 0.02 0.06 -0.03 0.01 -0.05 -0.05 -0.01 0.01 -0.02 0.01 0.02 0.01 -0.69 0.19 -0.00 0.11 -0.02 -0.05 0.34 -0.11 -0.00 0.00 0.00 -0.01 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 0.00 0.00 0.00 0.01 -0.00 0.01 0.02 -0.00 -0.02 0.00 -0.01 0.01 -0.02 0.06 -0.06 0.00 -0.01 -0.04 -0.04 0.04 -0.01 -0.03 0.00 0.00 0.03 -0.01 0.13 0.03 0.08 -0.03 0.02 -0.02 0.06 -0.01 -0.00 0.04 -0.07 -0.02 -0.03 -0.06 -0.08 -0.02 -0.02 -0.02 0.01 -0.00 0.01 -0.01 0.00 -0.02 0.01 -0.01 -0.07 0.02 0.08 0.01 -0.01 -0.02 0.02 -0.01 0.00 0.01 -0.00 -0.02 -0.00 0.01 0.03 -0.00 -0.00 0.00 0.02 0.01 0.03 -0.01 0.01 -0.01 0.01 -0.01 -0.04 0.34 -0.24 -0.01 -0.43 -0.07 -0.21 0.01 -0.12 -0.20 -0.05 -0.19 0.20 0.29 -0.08 -0.29 -0.18 -0.26 0.25 -0.07 0.00 0.04 -0.10 0.03 0.07 0.05 -0.02 -0.00 -0.00 -0.00 -0.01 -0.02 0.00 0.02 0.01 -0.01 0.01 -0.00 0.00 0.03 -0.07 -0.07 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.01 0.00 -0.00 0.01 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.01 -0.00 0.00 0.00 0.00 -0.00 0.01 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.01 -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 -0.04 0.01 0.00 -0.12 0.01 -0.00 0.06 -0.01 0.02 -0.01 0.00 -0.02 -0.00 -0.01 0.00 -0.01 -0.01 -0.00 -0.01 0.01 0.01 -0.00 -0.02 -0.01 -0.01 0.01 -0.00 0.11 -0.03 -0.00 -0.01 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.12 0.12 0.17 0.12 0.08 -0.19 -0.04 0.92 -0.08 0.02 -0.02 -0.10 -0.07 -0.02 -0.08 0.01 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.01 0.01 -0.00 -0.01 0.00 -0.01 0.01 -0.01 0.01 -0.07 -0.01 -0.00 -0.03 -0.02 0.04 -0.01 -0.03 0.00 -0.00 0.03 -0.00 0.10 0.02 0.04 -0.04 0.02 -0.00 0.05 -0.02 0.06 0.17 0.24 -0.14 0.02 0.34 0.26 0.00 0.27 -0.02 0.02 -0.00 0.03 -0.01 -0.02 -0.25 -0.00 -0.06 0.18 -0.01 -0.11 0.00 -0.02 -0.02 0.02 -0.00 0.00 0.00 -0.00 -0.02 -0.00 0.01 0.03 -0.00 -0.00 0.00 -0.03 -0.01 -0.04 -0.02 0.01 0.01 -0.03 -0.00 0.02 0.24 -0.15 -0.01 -0.29 -0.05 -0.14 0.02 -0.01 -0.02 0.04 -0.13 0.07 0.21 -0.03 -0.20 -0.13 -0.18 0.16 -0.18 0.03 -0.13 0.06 -0.01 -0.14 0.03 0.03 -0.02 -0.02 0.02 -0.02 -0.02 0.01 0.02 -0.05 -0.01 -0.04 -0.07 -0.01 -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 -0.00 -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 0.01 -0.00 0.00 0.05 -0.01 0.00 -0.01 -0.00 -0.00 0.01 -0.00 -0.00 0.09 -0.02 0.00 -0.17 0.03 -0.00 -0.01 0.00 0.00 -0.01 0.00 0.00 0.01 -0.00 0.00 -0.01 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.01 0.00 -0.00 0.03 -0.00 0.00 -0.01 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.01 0.01 -0.00 -0.00 0.01 0.00 -0.00 0.00 -0.00 0.00 0.01 0.94 -0.20 0.00 -0.01 0.01 -0.01 0.06 -0.01 -0.00 0.04 -0.01 0.00 -0.01 0.00 -0.01 -0.00 0.00 0.02 -0.01 0.00 0.01 -0.15 0.01 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.01 -0.01 -0.01 0.00 0.01 -0.00 0.01 0.00 -0.00 -0.00 -0.01 -0.02 0.03 0.00 0.00 -0.00 0.01 -0.03 -0.01 -0.01 0.00 -0.01 -0.00 -0.01 0.02 0.00 0.00 -0.03 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.01 -0.00 -0.00 -0.01 0.14 -0.04 -0.00 -0.01 0.00 -0.00 0.02 -0.00 -0.00 0.00 0.00 0.01 -0.14 0.05 -0.02 0.06 -0.02 0.01 -0.08 0.04 0.01 0.00 -0.03 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.04 -0.01 0.02 0.01 0.02 -0.01 -0.00 -0.02 0.01 -0.00 -0.01 0.02 0.03 0.01 -0.03 0.02 -0.00 -0.01 -0.00 -0.09 0.02 -0.00 -0.01 0.01 -0.07 0.77 -0.17 -0.02 0.53 -0.12 0.03 -0.04 -0.01 0.00 0.00 0.00 0.00 0.00 0.00 -0.01 0.02 -0.00 0.00 -0.00 -0.01 0.00 0.00 -0.00 -0.01 0.00 0.01 -0.00 0.00 0.01 0.01 -0.02 -0.03 0.01 0.03 -0.00 0.01 -0.01 0.02 0.04 -0.04 -0.03 -0.14 0.04 0.21 0.01 -0.00 -0.03 0.03 -0.03 -0.15 -0.07 0.03 -0.07 -0.00 -0.03 0.17 0.00 0.05 -0.23 0.02 0.01 -0.00 -0.02 0.00 0.02 -0.01 -0.01 0.00 0.02 -0.05 0.00 -0.01 -0.01 0.00 -0.03 -0.00 0.01 -0.02 0.02 0.01 0.01 0.08 0.12 -0.07 -0.02 0.01 0.03 0.06 0.14 0.11 -0.05 -0.19 -0.02 -0.00 0.01 0.01 0.00 0.02 0.01 0.00 0.01 0.04 -0.00 -0.06 -0.29 -0.11 0.18 0.07 0.16 -0.12 -0.02 -0.14 0.06 -0.05 -0.12 0.24 0.27 0.07 -0.29 0.22 0.03 0.00 -0.04 0.03 0.01 -0.02 -0.09 0.03 -0.08 -0.21 0.14 0.18 -0.13 0.09 0.23 -0.01 -0.16 -0.02 0.00 0.02 -0.01 0.00 0.01 -0.06 -0.01 0.01 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.01 0.00 0.01 -0.00 0.00 0.01 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.02 -0.01 -0.01 0.02 0.00 -0.00 -0.00 -0.02 -0.02 -0.01 0.00 0.01 -0.03 0.00 -0.02 -0.03 -0.02 0.04 0.04 0.01 -0.02 0.01 0.00 -0.00 -0.01 -0.00 0.02 -0.00 0.04 -0.02 0.00 0.00 0.00 -0.01 0.08 -0.01 -0.01 0.01 0.01 -0.00 -0.16 0.03 -0.00 -0.01 -0.02 0.01 0.00 0.00 -0.01 -0.01 -0.02 -0.01 0.00 0.02 0.00 -0.00 0.00 0.00 -0.00 0.02 0.01 0.00 0.01 0.05 -0.00 -0.07 -0.06 0.04 -0.02 0.02 0.05 -0.03 0.02 -0.05 0.15 0.04 0.02 -0.03 0.05 0.04 0.01 0.06 0.04 -0.03 -0.01 -0.08 0.03 0.00 0.92 -0.21 0.00 -0.00 -0.02 -0.03 -0.00 -0.00 -0.02 0.01 0.02 -0.02 0.00 0.02 -0.02 0.00 0.01 -0.06 0.01 0.01 -0.01 0.00 0.01 -0.01 -0.00 -0.00 0.04 -0.00 -0.03 0.00 -0.00 -0.03 0.00 -0.01 -0.01 0.00 0.01 -0.00 0.01 -0.00 0.01 -0.05 0.01 0.02 -0.07 -0.01 0.03 0.00 0.00 0.08 0.02 -0.01 -0.05 0.09 0.00 0.04 0.09 0.04 -0.09 -0.11 -0.03 0.02 -0.04 0.03 -0.00 0.02 -0.02 -0.05 0.01 0.03 0.02 -0.00 -0.00 -0.01 0.04 0.05 -0.02 0.03 -0.01 -0.05 0.02 -0.10 0.04 0.01 0.02 0.08 -0.03 -0.00 -0.00 0.03 0.02 0.06 0.05 -0.02 -0.08 -0.01 0.00 -0.00 -0.01 -0.01 -0.06 -0.04 -0.01 -0.04 -0.18 0.01 0.22 0.13 -0.11 0.07 -0.05 -0.12 0.07 -0.06 0.11 -0.38 -0.09 -0.08 0.10 -0.08 -0.11 -0.09 -0.14 -0.13 0.12 0.04 -0.05 -0.04 -0.02 0.61 -0.13 -0.01 0.01 0.07 0.11 0.01 0.01 0.09 -0.00 -0.07 0.07 -0.01 -0.05 0.06 -0.01 -0.02 0.21 0.01 -0.05 -0.00 0.00 0.01 0.00 -0.00 -0.00 0.06 -0.00 -0.03 0.01 -0.00 -0.04 -0.00 0.00 0.01 -0.00 -0.01 0.00 -0.00 0.00 -0.01 0.10 0.01 -0.02 0.07 0.02 0.01 0.06 0.01 0.06 -0.01 0.01 0.04 -0.14 0.01 -0.06 -0.08 -0.10 0.15 0.15 0.06 -0.09 0.01 -0.04 -0.00 -0.02 -0.00 -0.05 -0.03 0.01 0.02 0.01 -0.00 0.01 0.05 -0.01 -0.01 -0.05 -0.02 -0.07 -0.03 0.03 0.08 -0.01 -0.01 -0.08 0.02 0.00 0.00 -0.04 -0.02 -0.06 -0.04 0.01 0.07 0.01 0.00 -0.01 0.02 -0.00 -0.05 -0.06 -0.01 -0.05 -0.23 0.02 0.26 -0.23 0.11 -0.06 0.02 0.14 -0.08 0.11 -0.27 0.47 0.10 0.04 -0.06 0.27 0.14 -0.03 0.21 0.12 -0.09 -0.08 -0.02 -0.04 -0.10 -0.07 0.08 -0.01 -0.04 -0.07 -0.12 -0.02 0.00 -0.07 0.02 0.06 0.10 -0.00 -0.04 0.08 -0.01 -0.01 0.20 0.01 -0.06 0.02 -0.01 -0.05 0.04 0.01 0.03 0.03 0.00 -0.02 0.00 -0.00 -0.01 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.03 -0.10 -0.03 -0.06 -0.01 -0.04 0.18 -0.03 -0.18 0.01 -0.01 -0.01 0.05 0.04 0.00 -0.07 0.11 0.01 -0.01 -0.06 0.08 0.10 0.01 -0.03 -0.08 0.05 0.26 -0.15 -0.04 -0.18 -0.02 -0.01 -0.01 -0.10 0.01 0.02 -0.04 0.05 0.26 -0.13 -0.04 -0.17 0.00 0.00 0.02 -0.01 -0.01 0.00 0.03 0.01 0.03 0.01 0.01 -0.04 -0.00 -0.00 -0.01 0.19 0.02 0.10 -0.08 -0.00 -0.02 -0.18 0.00 0.12 0.13 0.04 -0.05 0.08 0.16 -0.19 -0.05 0.13 0.08 0.03 0.09 -0.05 -0.28 -0.01 0.23 0.01 0.11 -0.12 -0.01 0.06 0.25 -0.08 -0.01 -0.17 0.01 0.02 0.03 0.07 -0.02 0.01 0.03 -0.10 -0.00 0.18 0.01 0.09 0.16 0.04 0.05 -0.16 -0.01 -0.01 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.01 -0.02 0.00 0.01 -0.01 0.01 0.00 -0.00 -0.00 -0.00 -0.01 -0.00 0.00 -0.00 -0.00 0.00 0.02 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.04 -0.01 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.01 -0.00 -0.01 0.06 -0.02 0.00 -0.01 0.01 0.01 -0.17 0.04 -0.00 0.02 -0.01 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.01 0.00 -0.01 0.00 0.01 -0.01 0.00 0.00 0.01 0.00 0.00 -0.00 -0.01 0.00 0.01 0.00 0.01 -0.01 -0.00 0.00 0.00 -0.00 -0.01 0.00 0.01 -0.13 0.03 0.00 0.09 -0.02 -0.06 0.93 -0.25 0.00 -0.00 -0.00 0.01 0.00 0.00 -0.01 -0.00 0.00 -0.00 0.00 0.01 -0.01 -0.00 -0.01 -0.01 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.12 -0.12 -0.05 -0.12 -0.03 -0.09 -0.03 0.00 0.04 0.01 -0.00 -0.02 0.06 0.08 -0.02 -0.11 0.10 0.05 0.03 -0.06 0.14 0.05 0.00 -0.02 0.01 -0.01 -0.05 0.02 0.01 0.05 -0.05 -0.01 -0.01 0.02 -0.00 -0.01 -0.06 -0.03 -0.12 -0.01 0.03 0.14 0.01 0.01 0.04 -0.01 -0.00 -0.00 0.06 0.02 0.06 0.03 -0.01 -0.06 0.00 -0.00 0.00 -0.04 -0.00 -0.02 0.02 -0.00 -0.00 0.03 0.00 -0.02 0.25 0.16 -0.20 0.11 0.27 -0.32 0.02 0.00 0.26 0.10 0.10 -0.11 -0.37 0.00 0.35 0.04 0.18 -0.17 -0.06 -0.03 -0.13 -0.04 0.04 0.13 0.03 0.04 0.05 0.12 0.02 0.01 0.04 -0.05 -0.05 -0.03 0.00 -0.02 -0.03 -0.01 -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 -0.01 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.05 -0.15 -0.04 0.16 0.08 0.14 -0.00 -0.00 0.00 -0.01 0.01 0.02 -0.03 0.01 0.00 0.02 0.21 -0.01 -0.12 -0.15 -0.11 0.05 0.03 -0.03 0.00 -0.01 0.00 0.00 -0.00 0.02 0.08 0.01 0.02 0.00 -0.00 -0.01 -0.04 -0.01 -0.05 -0.02 0.01 0.07 -0.01 -0.01 -0.05 0.00 0.01 0.01 -0.08 -0.03 -0.07 -0.04 0.02 0.08 -0.00 -0.00 0.01 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.19 -0.28 0.29 0.05 0.16 -0.17 -0.11 0.10 -0.42 -0.16 -0.01 0.24 -0.26 0.04 0.20 -0.04 0.05 -0.28 -0.02 -0.01 -0.07 -0.05 0.03 0.06 -0.04 -0.05 -0.07 -0.17 0.03 -0.04 -0.04 0.03 0.08 0.00 -0.00 -0.00 0.00 -0.00 0.01 0.01 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.01 0.00 0.00 -0.00 0.00 -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 -0.01 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.01 0.09 -0.02 -0.00 0.02 -0.00 0.01 -0.13 0.03 -0.00 0.03 -0.01 0.00 0.01 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 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 0.00 -0.00 0.01 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.03 -0.52 0.12 -0.06 0.79 -0.19 0.01 -0.13 0.03 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 0.03 -0.02 -0.03 0.04 0.05 -0.00 0.05 -0.02 0.05 -0.00 -0.01 -0.00 0.00 -0.00 0.00 -0.01 -0.00 -0.01 0.12 0.07 0.26 -0.01 -0.00 0.01 0.01 0.01 -0.01 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.02 -0.00 -0.01 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.04 -0.06 -0.27 -0.17 -0.02 0.00 0.06 0.06 0.18 -0.06 -0.05 -0.17 -0.15 -0.01 -0.02 0.01 -0.00 0.01 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.03 -0.03 0.03 -0.02 -0.01 0.02 -0.01 0.00 -0.04 -0.02 -0.00 0.02 -0.01 -0.01 -0.01 0.00 -0.00 0.00 0.00 0.00 -0.01 0.00 0.02 0.00 -0.39 -0.14 -0.49 -0.08 0.05 0.29 -0.31 -0.09 -0.27 -0.00 -0.00 0.01 0.02 0.01 -0.00 -0.01 -0.01 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -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 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -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 0.19 -0.02 0.00 -0.12 0.02 0.00 0.02 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.01 0.07 -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 0.18 -0.34 -0.56 -0.15 -0.18 0.61 -0.01 0.24 -0.01 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.01 0.01 0.01 -0.01 -0.01 0.00 -0.01 0.00 -0.00 0.01 -0.08 -0.04 -0.03 -0.04 -0.06 -0.01 -0.00 -0.01 -0.01 -0.00 0.00 -0.04 -0.16 0.03 -0.04 0.17 -0.01 0.09 0.14 0.05 0.04 0.01 -0.01 0.01 0.01 0.04 -0.01 -0.01 -0.03 -0.00 0.00 -0.01 -0.02 -0.00 0.00 -0.03 -0.01 -0.05 -0.00 0.01 0.06 -0.01 0.00 0.02 0.02 -0.00 -0.01 0.02 0.01 0.01 -0.00 -0.00 -0.01 0.03 -0.00 -0.01 0.01 0.00 0.01 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.37 -0.11 0.25 0.05 -0.26 0.43 -0.11 0.15 -0.19 -0.14 0.18 0.06 0.31 -0.01 -0.22 0.09 -0.05 0.28 0.07 -0.03 -0.14 0.12 0.03 0.10 -0.04 -0.00 0.01 0.03 0.01 0.01 -0.04 -0.00 -0.02 0.03 0.00 0.01 0.02 0.00 0.01 -0.02 0.00 0.00 0.00 -0.00 -0.00 0.01 0.00 0.00 -0.01 0.00 0.01 -0.00 0.00 0.00 -0.01 0.01 0.00 -0.00 0.02 -0.01 -0.03 0.02 -0.03 0.03 -0.04 -0.02 -0.01 -0.00 -0.03 0.19 0.03 0.18 -0.02 0.00 0.01 -0.05 -0.02 -0.00 0.03 0.06 0.00 0.05 0.00 0.03 -0.02 0.01 -0.00 -0.04 0.00 0.01 -0.08 0.00 0.01 0.00 0.00 0.00 0.10 0.00 -0.01 0.02 0.02 0.12 -0.06 -0.03 -0.12 -0.01 -0.00 -0.00 0.03 0.02 -0.01 0.02 0.01 0.03 -0.01 -0.02 -0.03 0.07 -0.09 0.07 -0.22 -0.03 -0.19 0.01 -0.00 0.02 0.05 -0.00 -0.06 -0.13 -0.07 0.09 0.00 0.01 0.03 0.00 -0.05 -0.14 -0.07 0.00 0.10 0.04 0.03 0.07 0.06 0.06 -0.03 -0.18 0.08 0.29 -0.50 -0.06 -0.26 -0.09 -0.02 -0.04 -0.03 0.04 0.06 -0.09 0.01 -0.08 -0.19 0.00 -0.13 -0.23 -0.06 -0.10 0.25 0.02 0.00 0.00 -0.00 -0.02 0.01 0.00 0.02 -0.00 0.00 0.00 -0.00 0.00 0.00 0.01 -0.00 -0.02 0.02 0.03 -0.01 0.00 0.01 -0.01 -0.04 0.04 0.01 0.03 -0.00 0.05 0.09 0.01 0.07 0.01 0.00 0.00 0.10 0.00 0.03 -0.08 -0.06 -0.01 -0.09 0.02 -0.07 0.08 -0.01 -0.01 0.01 0.04 0.18 -0.12 -0.04 -0.18 0.01 0.00 0.01 0.02 -0.00 0.00 -0.04 -0.02 -0.12 0.01 0.02 0.11 0.02 -0.00 -0.02 -0.04 0.01 0.01 -0.02 -0.01 -0.03 -0.00 -0.00 0.02 -0.04 -0.06 0.06 -0.08 -0.01 -0.10 -0.02 0.00 0.04 0.02 -0.00 -0.04 0.21 0.09 -0.11 -0.01 -0.07 0.01 -0.04 0.17 0.25 0.12 0.06 -0.22 -0.06 -0.10 -0.22 -0.12 -0.13 0.10 0.23 -0.08 -0.36 0.42 0.06 0.23 0.08 -0.01 0.01 -0.01 0.00 -0.04 0.06 0.04 0.04 -0.02 0.00 -0.07 -0.03 -0.03 -0.05 0.06 0.01 0.04 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.05 0.03 0.05 -0.05 -0.07 0.01 -0.06 0.02 -0.05 -0.02 0.02 0.02 0.03 0.01 0.02 -0.01 -0.00 -0.01 -0.08 0.00 0.03 -0.00 0.03 0.02 0.00 -0.04 -0.02 -0.01 -0.03 -0.04 0.01 -0.00 0.00 0.01 0.01 0.03 -0.01 -0.01 -0.04 0.02 0.00 0.01 -0.01 -0.00 0.00 -0.01 -0.01 -0.04 0.01 0.01 0.03 -0.06 -0.00 0.01 0.20 -0.00 -0.06 0.03 0.04 0.13 -0.02 -0.03 -0.12 0.24 0.05 -0.01 0.02 0.00 0.01 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.08 -0.05 0.01 -0.07 0.02 -0.07 0.01 0.01 0.03 0.04 -0.04 -0.05 -0.06 0.01 0.04 -0.03 0.01 -0.10 0.08 -0.04 -0.11 0.18 0.02 0.08 -0.49 -0.07 -0.19 -0.25 0.05 0.35 -0.40 -0.09 -0.27 0.04 -0.00 0.01 0.02 0.01 -0.00 -0.03 0.00 0.01 0.00 -0.00 -0.01 0.01 0.00 0.01 -0.00 0.00 0.01 -0.00 0.00 0.01 0.01 -0.05 0.02 -0.06 -0.20 0.04 0.10 -0.10 0.14 -0.02 0.00 0.00 -0.01 0.00 -0.01 0.08 0.01 0.10 0.02 0.00 -0.00 -0.03 0.01 -0.02 0.04 -0.01 0.01 0.02 -0.02 0.03 0.01 0.00 -0.01 -0.02 0.01 0.08 -0.07 -0.01 -0.06 -0.01 -0.01 -0.02 0.05 0.00 -0.00 -0.01 -0.00 -0.01 -0.01 -0.00 -0.00 -0.02 0.01 0.02 -0.00 -0.11 0.01 0.00 0.01 -0.01 0.01 0.05 0.04 -0.10 0.64 -0.36 -0.05 -0.01 -0.18 -0.06 0.01 0.12 0.02 -0.01 -0.08 -0.07 -0.03 0.03 0.02 0.06 -0.04 -0.00 -0.02 -0.10 -0.05 -0.05 0.10 0.02 0.04 0.10 0.06 0.06 -0.03 0.09 -0.02 -0.09 -0.03 0.00 -0.01 -0.06 0.01 -0.00 0.13 -0.07 -0.08 0.07 -0.18 0.12 0.03 -0.06 -0.22 0.10 -0.04 -0.09 -0.05 0.02 0.12 -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 0.03 -0.00 -0.00 0.01 -0.01 -0.07 0.02 0.03 -0.04 0.01 -0.05 -0.00 0.00 0.01 0.01 -0.00 -0.01 -0.14 0.05 -0.02 0.14 -0.04 -0.02 0.11 -0.07 0.07 -0.01 0.01 0.00 0.01 0.01 0.07 -0.03 -0.01 -0.05 -0.04 -0.00 -0.00 -0.01 0.00 0.00 0.01 -0.01 -0.05 0.02 0.01 0.03 0.01 -0.00 0.00 -0.02 0.01 0.01 0.01 -0.00 0.00 0.01 -0.00 -0.01 -0.01 -0.07 0.04 0.04 -0.00 -0.05 -0.04 0.01 0.06 -0.01 -0.00 -0.02 -0.17 -0.17 0.14 -0.08 0.13 -0.12 0.04 -0.11 -0.31 -0.11 -0.20 0.26 0.06 0.17 0.39 0.18 0.22 -0.24 0.19 -0.05 -0.21 0.27 0.03 0.11 0.10 0.02 0.05 0.04 0.01 -0.03 0.05 0.02 0.00 0.10 0.01 -0.03 0.09 -0.01 -0.04 -0.10 0.00 0.07 -0.00 0.00 0.01 -0.00 -0.00 -0.01 0.01 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.02 0.00 0.01 -0.01 -0.02 0.01 -0.02 0.04 -0.02 -0.01 0.01 -0.01 0.01 -0.03 0.01 0.03 -0.01 0.00 0.00 0.04 -0.02 0.00 -0.05 0.02 0.01 -0.03 0.02 -0.02 -0.02 -0.00 0.00 -0.00 -0.02 -0.08 0.04 0.01 0.06 0.01 0.00 0.01 -0.02 0.01 0.03 0.00 0.00 0.01 -0.01 -0.01 -0.04 0.01 -0.00 -0.01 0.00 0.01 0.01 -0.01 -0.00 -0.00 -0.01 -0.01 -0.01 0.02 -0.02 0.09 0.21 -0.02 -0.22 -0.16 0.02 0.26 -0.04 -0.01 -0.08 0.05 0.07 -0.05 0.03 -0.05 0.05 -0.00 0.00 0.09 0.03 0.07 -0.08 -0.02 -0.06 -0.13 -0.07 -0.07 0.08 0.02 -0.00 -0.01 -0.19 -0.02 -0.08 0.02 0.00 -0.00 -0.06 0.00 0.03 -0.02 0.01 -0.02 0.39 0.03 -0.15 0.35 -0.03 -0.18 -0.48 0.00 0.29 0.00 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 -0.07 -0.01 -0.03 -0.01 -0.01 -0.00 -0.02 0.03 0.01 0.02 -0.03 0.01 0.02 -0.01 -0.00 -0.01 -0.01 -0.01 -0.02 -0.04 0.02 0.22 -0.09 0.02 -0.17 0.13 -0.02 -0.09 0.01 -0.01 -0.00 0.00 -0.00 -0.02 0.01 0.00 0.01 -0.03 0.00 0.04 0.01 -0.00 -0.00 -0.00 0.00 0.01 -0.01 -0.00 -0.00 0.04 -0.01 -0.03 -0.03 -0.00 0.05 -0.01 0.00 -0.01 0.02 -0.01 -0.05 -0.01 0.14 0.18 -0.01 0.00 0.02 0.01 -0.00 -0.02 -0.00 0.00 0.01 0.17 -0.38 0.31 -0.36 -0.13 0.01 0.03 0.06 0.16 0.14 0.00 -0.34 0.01 0.09 0.09 0.15 0.10 -0.24 -0.05 0.02 0.05 -0.06 -0.00 -0.02 0.27 0.04 0.07 -0.12 -0.02 0.08 0.11 -0.01 -0.02 -0.03 -0.00 0.01 -0.03 0.00 0.01 0.03 -0.02 -0.02 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.04 -0.07 -0.12 -0.02 -0.07 -0.02 -0.04 0.00 -0.07 -0.03 -0.01 -0.02 0.03 -0.01 -0.04 -0.00 -0.00 -0.02 -0.03 0.00 0.02 0.02 -0.03 -0.18 0.08 -0.00 0.14 -0.09 0.02 0.09 0.00 0.01 0.00 0.00 0.00 0.02 -0.01 -0.00 -0.01 0.01 0.01 0.03 -0.00 -0.00 -0.00 0.00 -0.00 -0.01 0.00 0.00 0.01 0.05 -0.01 -0.04 -0.02 -0.01 0.06 -0.01 0.00 -0.02 -0.03 -0.02 -0.07 0.05 0.23 0.37 -0.02 0.00 0.05 0.03 -0.00 -0.04 -0.00 0.00 0.02 -0.16 0.32 -0.26 0.28 0.08 0.04 -0.03 -0.05 -0.16 -0.14 0.02 0.30 0.02 -0.06 -0.05 -0.15 -0.09 0.18 0.02 -0.00 -0.03 0.07 0.00 0.03 0.29 0.04 0.06 -0.19 -0.02 0.12 -0.04 -0.02 -0.07 -0.04 -0.00 0.03 -0.06 0.01 0.03 0.07 -0.03 -0.04 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.01 0.01 0.02 0.00 0.01 0.00 0.01 -0.00 0.02 -0.00 -0.00 -0.00 0.02 0.00 -0.01 0.00 -0.00 0.00 -0.03 -0.00 -0.00 0.00 -0.01 -0.01 0.00 0.00 0.01 -0.01 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.04 0.00 0.01 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.06 0.00 -0.02 0.02 0.00 -0.00 -0.07 0.01 0.05 0.03 -0.01 -0.06 -0.03 -0.03 -0.08 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.01 0.03 -0.03 0.01 -0.02 0.03 -0.01 0.01 -0.01 -0.02 0.02 0.02 0.04 0.02 0.01 -0.02 -0.02 0.01 -0.00 -0.00 0.00 -0.03 -0.00 -0.01 0.63 0.10 0.25 -0.57 0.06 0.41 -0.00 -0.02 -0.07 -0.01 -0.01 -0.01 0.01 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.01 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.05 -0.02 -0.02 -0.00 -0.00 0.00 0.05 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 -0.06 0.04 0.13 0.05 -0.02 -0.09 -0.10 0.01 0.04 0.02 0.00 -0.00 -0.07 0.00 0.00 -0.01 -0.00 -0.00 0.01 -0.02 -0.07 0.00 0.00 -0.00 -0.01 -0.00 0.00 -0.01 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.01 -0.01 -0.00 -0.01 -0.00 -0.00 0.00 -0.01 -0.00 -0.01 -0.01 -0.01 0.02 0.00 0.00 -0.01 0.03 -0.07 -0.00 0.04 -0.04 -0.00 -0.06 -0.03 -0.02 0.01 0.00 0.01 -0.26 0.05 0.20 0.88 0.04 0.16 0.02 0.00 0.01 -0.03 0.00 0.02 0.01 0.00 0.00 0.04 0.01 0.01 -0.02 -0.01 -0.00 0.06 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.05 -0.02 -0.01 -0.01 -0.01 0.01 0.07 -0.00 -0.01 -0.00 -0.00 -0.00 -0.00 0.00 0.02 0.01 0.04 -0.00 0.02 0.01 -0.02 -0.15 -0.01 -0.07 -0.07 0.00 0.01 0.04 0.01 0.07 0.04 0.00 0.01 -0.11 0.00 0.01 0.06 0.01 0.05 0.02 0.00 0.00 0.01 -0.00 -0.01 -0.01 -0.00 0.01 -0.01 -0.00 -0.01 -0.01 0.00 0.00 0.01 0.00 -0.01 -0.05 0.00 0.01 -0.00 0.00 -0.00 -0.00 -0.00 -0.02 0.08 0.08 -0.09 -0.04 -0.02 0.01 0.13 -0.32 0.01 -0.05 0.11 -0.01 -0.19 -0.10 -0.10 0.06 0.02 0.01 0.65 -0.10 -0.46 0.08 0.01 0.03 0.00 -0.00 -0.01 -0.05 -0.00 0.02 0.02 0.01 0.01 0.06 -0.01 0.02 0.11 0.01 0.04 0.20 0.01 -0.01 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.01 0.01 0.00 -0.04 -0.01 -0.02 -0.00 0.00 0.00 -0.00 0.00 -0.02 0.00 0.01 0.00 -0.01 -0.04 -0.02 0.06 0.03 0.01 0.00 0.01 -0.01 0.00 0.01 0.00 -0.00 -0.01 0.05 -0.00 -0.02 0.02 0.00 0.00 0.01 -0.00 -0.01 -0.00 -0.00 -0.00 0.02 0.00 0.01 -0.01 -0.00 -0.01 -0.01 -0.00 -0.00 -0.02 0.00 0.01 0.01 0.00 0.00 0.01 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.01 -0.13 -0.17 0.20 0.17 0.30 -0.31 0.03 -0.02 0.01 0.07 -0.17 -0.01 -0.41 -0.27 -0.29 0.43 0.19 0.29 -0.03 0.00 0.02 -0.05 -0.00 -0.02 0.04 0.00 0.02 -0.08 0.00 0.04 -0.06 -0.00 0.00 -0.03 -0.00 -0.01 -0.00 -0.00 0.00 -0.06 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.02 0.01 0.01 0.01 -0.00 -0.00 0.02 0.03 -0.02 0.00 0.00 0.01 0.00 -0.00 -0.01 -0.01 -0.02 -0.01 -0.01 0.01 0.01 0.04 -0.02 -0.06 0.06 -0.00 -0.00 0.01 0.01 0.05 -0.01 -0.00 -0.01 -0.06 -0.01 -0.03 -0.05 0.00 0.03 0.02 0.01 0.02 0.00 0.00 0.00 -0.01 -0.00 -0.00 -0.00 0.00 0.01 0.00 0.00 0.00 0.00 0.00 -0.00 -0.01 -0.02 0.02 -0.03 -0.03 0.04 -0.03 -0.00 -0.06 -0.05 -0.07 0.07 0.05 0.06 -0.06 -0.04 0.11 0.01 0.03 -0.07 -0.01 0.04 0.01 -0.00 0.02 0.01 0.03 -0.05 0.04 0.02 -0.04 0.00 0.01 0.03 0.00 0.01 0.02 -0.00 -0.01 -0.00 0.00 -0.00 0.67 0.06 0.16 -0.39 -0.01 -0.09 0.52 0.03 0.01 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.01 0.01 0.01 0.00 -0.01 0.02 -0.03 -0.01 -0.00 0.00 0.00 0.01 -0.00 -0.01 -0.02 -0.02 -0.01 -0.02 0.00 0.02 0.03 -0.01 -0.03 0.04 -0.00 -0.01 0.01 0.01 0.03 -0.01 -0.00 -0.01 -0.04 -0.01 -0.02 -0.03 0.01 0.02 0.01 0.00 0.01 -0.00 0.00 0.00 0.01 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.01 -0.00 0.01 -0.00 0.02 0.01 -0.03 0.03 0.03 -0.03 -0.01 -0.05 -0.08 -0.12 0.13 0.08 0.07 -0.07 -0.06 0.14 0.03 0.07 -0.12 -0.02 0.12 0.05 0.04 -0.04 -0.02 0.02 -0.03 -0.03 0.02 0.01 -0.00 0.02 0.00 0.00 0.01 0.02 0.00 -0.01 -0.03 -0.00 -0.01 -0.42 -0.03 -0.09 0.63 0.03 0.15 0.50 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 -0.07 -0.01 -0.00 -0.01 -0.02 0.01 -0.00 -0.01 0.01 0.00 -0.00 -0.01 -0.05 -0.00 0.05 0.06 0.02 0.02 0.04 -0.00 -0.04 0.05 -0.02 -0.09 0.11 0.00 0.03 -0.03 0.01 0.05 0.02 0.01 0.03 -0.02 -0.02 -0.08 -0.07 0.01 0.03 0.04 0.01 0.03 0.00 -0.00 -0.01 -0.00 0.00 0.01 0.00 -0.00 -0.01 -0.01 -0.00 -0.00 0.00 -0.00 -0.01 0.01 0.00 -0.01 -0.00 0.01 0.01 -0.00 -0.00 -0.00 0.21 0.32 -0.35 -0.20 -0.14 0.12 0.08 -0.20 -0.08 -0.22 0.31 0.07 -0.35 -0.18 -0.15 0.25 0.11 0.00 -0.24 0.04 0.18 0.02 -0.00 0.02 -0.04 -0.01 -0.03 -0.05 -0.00 0.02 0.05 0.01 0.02 -0.12 -0.01 -0.03 0.16 0.00 0.03 -0.01 -0.00 0.01 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.02 -0.01 -0.01 -0.01 0.01 -0.07 -0.00 -0.02 0.00 -0.00 -0.01 -0.02 0.00 0.02 0.03 0.03 0.01 0.03 -0.01 -0.02 -0.00 0.04 0.13 -0.10 0.00 -0.00 0.01 -0.03 -0.11 0.02 0.01 0.02 0.11 0.02 0.07 0.08 -0.01 -0.07 -0.05 -0.01 -0.03 -0.00 -0.00 -0.00 0.01 0.00 0.01 0.00 -0.00 -0.01 -0.01 -0.00 -0.00 -0.01 -0.01 -0.00 0.03 0.00 0.04 -0.05 0.00 0.05 -0.05 -0.01 -0.08 0.11 0.17 -0.19 -0.13 -0.11 0.10 0.06 -0.14 -0.05 -0.10 0.15 0.04 -0.19 -0.08 -0.06 0.10 0.04 -0.03 -0.09 0.01 0.08 -0.08 -0.00 -0.04 -0.04 -0.01 -0.02 -0.05 0.00 0.03 0.02 0.00 0.01 0.10 0.02 0.06 0.07 0.01 0.04 0.79 0.03 0.02 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.01 0.01 -0.00 -0.00 0.01 -0.00 0.00 0.01 -0.01 0.02 0.01 -0.13 -0.01 -0.02 0.01 -0.00 -0.00 0.07 -0.02 -0.09 0.00 0.01 -0.04 -0.01 -0.02 0.01 0.05 0.01 0.04 0.03 -0.00 -0.00 0.02 -0.00 -0.01 0.02 -0.00 -0.01 0.23 0.07 0.19 -0.02 0.00 0.01 -0.02 -0.00 -0.00 -0.01 0.00 0.01 0.01 -0.01 -0.03 -0.04 0.02 0.11 0.02 -0.03 -0.12 -0.13 -0.02 -0.03 0.05 -0.01 -0.06 -0.01 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.08 -0.08 0.08 -0.01 -0.04 0.06 -0.09 0.22 0.00 0.10 -0.21 0.03 -0.08 -0.02 0.04 -0.34 -0.14 -0.15 -0.03 0.01 0.00 -0.08 -0.00 -0.01 -0.22 -0.05 -0.16 -0.51 0.02 0.26 0.28 0.05 0.11 0.01 0.01 0.01 0.01 -0.00 0.01 -0.02 0.00 -0.00 -0.00 0.00 0.01 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.02 0.01 0.02 -0.01 -0.01 0.00 -0.02 0.00 -0.01 -0.04 0.01 0.01 0.01 -0.00 0.01 0.10 -0.00 -0.02 -0.02 0.01 0.06 -0.04 0.02 -0.01 0.02 -0.02 0.03 0.02 -0.02 -0.02 0.12 0.01 0.07 -0.02 -0.02 -0.12 0.11 -0.01 -0.02 -0.00 -0.02 -0.05 -0.13 0.02 0.13 -0.02 -0.01 -0.03 -0.09 0.00 0.00 0.03 -0.00 -0.03 -0.13 -0.02 -0.00 -0.05 0.01 0.04 0.02 0.00 -0.00 0.16 0.01 -0.03 -0.03 0.00 -0.01 0.01 0.00 -0.01 0.00 0.00 0.01 0.05 0.19 -0.18 -0.23 -0.20 0.17 -0.19 0.46 -0.08 0.04 -0.18 0.10 -0.20 -0.11 -0.06 0.22 0.13 -0.03 0.08 -0.04 -0.14 -0.11 0.00 0.00 0.20 0.02 0.04 0.21 -0.02 -0.15 0.21 0.03 0.07 -0.05 0.00 -0.00 0.04 -0.00 0.03 -0.09 -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 -0.03 0.02 0.03 -0.02 -0.02 0.01 -0.03 0.01 -0.01 0.01 -0.01 -0.00 -0.03 0.01 0.01 -0.08 -0.00 0.01 0.02 0.02 0.06 0.03 0.00 -0.01 -0.01 0.01 -0.01 0.01 0.01 0.01 -0.07 -0.01 -0.04 0.02 0.02 0.09 -0.07 0.00 0.00 0.07 -0.01 -0.08 0.10 -0.02 -0.08 0.02 0.00 0.01 0.06 0.00 0.00 0.04 -0.01 -0.05 -0.22 -0.01 0.04 -0.08 0.00 0.04 -0.02 -0.00 -0.00 0.29 0.00 -0.06 0.03 0.00 0.01 -0.01 0.00 0.01 -0.00 -0.00 -0.01 -0.03 -0.15 0.14 0.11 0.08 -0.06 0.14 -0.36 0.06 -0.04 0.15 -0.07 0.10 0.06 0.05 -0.29 -0.14 -0.09 -0.11 0.03 0.14 0.03 -0.01 -0.01 0.40 0.05 0.11 0.29 -0.03 -0.23 0.17 0.03 0.07 -0.03 0.00 -0.00 0.05 0.00 0.01 0.09 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 -0.01 0.01 0.00 -0.00 0.01 -0.00 0.00 0.00 0.00 0.00 -0.04 -0.01 -0.02 -0.01 0.00 0.00 -0.15 0.01 0.09 0.00 0.00 -0.01 -0.00 -0.00 0.00 0.02 0.00 0.01 -0.01 -0.00 -0.01 0.00 0.00 0.02 -0.01 0.00 -0.00 0.06 -0.00 -0.04 0.02 -0.00 -0.02 0.00 0.00 0.00 0.01 0.00 0.00 0.13 0.02 0.04 -0.02 -0.04 -0.17 -0.06 -0.00 0.00 0.13 0.02 0.04 -0.03 0.01 0.04 0.01 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.02 -0.03 0.03 0.00 -0.01 0.02 0.00 -0.01 0.01 0.02 -0.04 0.00 -0.00 -0.01 0.01 -0.08 -0.02 -0.05 -0.02 0.01 0.02 -0.01 -0.00 -0.00 -0.44 -0.09 -0.23 -0.29 0.02 0.16 0.66 0.10 0.24 0.01 0.01 0.01 0.00 -0.00 0.01 0.01 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.01 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.06 -0.01 0.01 0.05 0.00 -0.02 0.04 -0.00 -0.00 -0.03 -0.00 -0.00 0.01 -0.04 0.05 0.02 0.00 -0.03 -0.04 0.03 0.00 0.06 0.01 0.03 -0.00 -0.01 -0.04 0.04 -0.00 -0.01 -0.07 0.02 0.10 -0.04 0.01 0.05 -0.00 -0.00 -0.02 -0.04 -0.00 -0.00 -0.03 -0.01 -0.04 -0.01 0.01 0.04 0.03 -0.00 -0.01 0.02 -0.01 -0.06 0.02 -0.01 -0.02 -0.01 -0.00 -0.01 0.00 -0.00 -0.00 0.00 0.00 0.00 0.04 -0.09 0.06 0.27 0.31 -0.29 0.19 -0.42 0.03 -0.19 0.38 -0.09 0.21 0.08 0.00 -0.06 -0.04 0.08 -0.03 -0.01 -0.01 -0.01 0.00 0.01 -0.08 -0.02 -0.06 0.02 -0.00 -0.00 0.43 0.05 0.08 -0.02 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 -0.01 0.01 0.01 -0.00 -0.00 0.00 -0.01 0.00 0.00 0.07 0.00 -0.01 0.10 -0.01 -0.02 -0.05 0.00 0.01 -0.04 -0.00 -0.00 -0.02 0.00 -0.02 -0.02 0.01 0.02 -0.03 -0.01 -0.00 -0.08 -0.01 -0.03 -0.01 0.01 0.04 -0.05 0.00 0.02 -0.13 0.03 0.14 0.06 -0.01 -0.06 0.02 0.01 0.03 0.05 -0.00 -0.01 -0.05 -0.02 -0.06 -0.01 0.02 0.06 0.05 0.00 -0.01 0.02 -0.02 -0.09 0.04 -0.01 -0.04 0.01 0.00 0.01 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.04 0.11 -0.07 -0.11 -0.11 0.07 -0.17 0.39 -0.06 0.18 -0.34 0.07 -0.07 -0.05 -0.04 0.28 0.13 0.12 0.05 -0.00 -0.00 0.06 -0.01 -0.01 -0.05 -0.02 -0.06 0.12 -0.01 -0.06 0.58 0.06 0.10 0.01 -0.01 -0.01 0.00 0.01 -0.01 0.02 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.03 -0.01 -0.01 -0.03 -0.00 -0.01 -0.01 0.00 0.00 0.06 0.00 -0.01 -0.04 -0.06 0.10 0.02 -0.02 0.01 -0.07 -0.02 -0.02 -0.01 -0.00 -0.01 -0.03 0.00 -0.00 -0.02 0.01 0.02 0.03 -0.00 -0.02 0.02 -0.00 -0.01 0.01 0.00 0.01 0.00 -0.00 -0.01 0.03 0.01 0.03 -0.04 -0.01 -0.04 0.01 -0.00 -0.01 -0.05 0.01 0.03 0.03 0.01 0.01 0.01 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.19 0.26 -0.26 0.08 0.21 -0.28 -0.16 0.33 -0.18 -0.01 0.14 -0.07 0.49 0.20 0.07 0.29 0.17 0.07 0.06 -0.01 -0.02 0.08 0.00 0.01 -0.07 -0.01 -0.02 -0.17 0.02 0.11 -0.02 0.01 0.05 -0.02 -0.01 -0.01 -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 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.01 -0.01 -0.01 0.01 -0.01 -0.02 0.00 0.00 0.00 0.05 0.00 -0.01 0.07 0.11 -0.07 -0.02 -0.04 0.03 -0.08 -0.05 0.02 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 0.02 -0.02 -0.01 -0.03 0.03 0.00 -0.01 -0.05 0.00 0.02 0.02 0.00 0.01 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.06 -0.30 0.28 -0.16 -0.27 0.36 0.02 -0.11 0.06 -0.10 0.39 -0.16 0.14 0.04 0.07 0.45 0.26 0.12 0.00 -0.00 0.00 0.01 0.00 0.00 -0.05 -0.00 -0.00 -0.14 0.02 0.11 0.09 0.02 0.07 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -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 -0.00 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 -0.02 0.00 0.02 0.02 -0.01 -0.03 0.00 0.00 0.00 0.00 -0.00 -0.02 0.03 -0.00 -0.01 0.00 0.00 0.02 0.00 0.00 -0.00 0.00 0.00 0.01 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.15 -0.00 0.01 0.00 0.00 -0.01 0.05 0.01 0.03 0.01 0.02 -0.01 -0.00 -0.00 -0.01 0.00 -0.01 -0.01 0.01 -0.02 0.00 0.04 0.02 0.01 0.04 0.02 0.01 -0.15 0.03 0.16 -0.04 0.00 0.01 -0.00 -0.00 -0.00 0.00 -0.00 -0.01 -0.02 -0.00 -0.01 0.64 0.02 0.10 0.67 0.05 0.09 -0.19 -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 0.02 -0.01 -0.02 -0.01 -0.00 -0.00 -0.01 0.00 0.01 -0.07 -0.00 0.01 -0.02 0.03 -0.00 0.03 -0.10 0.05 0.03 0.01 0.02 0.01 -0.01 -0.03 -0.07 0.00 0.00 0.01 0.01 0.04 0.04 0.01 0.02 0.01 -0.01 -0.04 0.05 0.00 0.01 -0.04 -0.00 -0.00 0.02 -0.01 -0.03 0.03 0.02 0.07 -0.05 -0.00 -0.00 0.07 -0.00 -0.03 -0.02 -0.01 -0.02 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.03 -0.17 0.13 0.04 0.10 -0.06 -0.24 0.44 -0.20 -0.16 0.59 -0.22 -0.16 -0.08 -0.05 -0.10 -0.03 -0.05 0.01 0.01 0.05 0.19 0.02 0.06 0.02 -0.01 -0.04 0.14 -0.03 -0.15 -0.13 -0.04 -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 0.01 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.01 -0.01 -0.01 -0.04 -0.01 -0.04 -0.01 -0.01 -0.03 -0.11 -0.01 0.00 0.02 0.01 0.01 -0.01 0.01 0.00 -0.07 -0.03 0.01 -0.03 0.02 0.07 0.12 -0.01 -0.05 -0.11 -0.01 -0.05 0.09 0.02 0.05 0.02 0.02 0.11 -0.12 0.00 0.01 0.14 -0.01 -0.03 0.08 -0.00 -0.04 0.02 0.04 0.14 -0.10 -0.01 -0.03 0.11 -0.00 -0.04 -0.02 -0.01 -0.03 -0.01 0.00 0.02 0.00 -0.00 -0.00 0.00 0.00 0.00 0.06 0.02 -0.02 -0.02 -0.03 0.04 0.02 -0.11 -0.04 0.05 0.03 -0.05 0.32 0.10 0.04 0.30 0.21 0.05 0.17 -0.05 -0.27 -0.37 -0.04 -0.19 -0.06 -0.03 -0.12 0.17 -0.04 -0.25 -0.32 -0.07 -0.19 0.03 -0.02 -0.00 0.03 0.02 -0.01 0.01 0.00 -0.01 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.02 -0.01 -0.02 0.02 0.01 0.03 -0.01 -0.01 -0.03 0.06 0.00 0.00 -0.02 0.00 0.00 0.03 -0.06 0.03 0.07 0.03 -0.01 -0.02 0.02 0.06 0.08 -0.01 -0.05 -0.12 -0.00 -0.02 -0.06 -0.01 -0.03 0.04 0.02 0.09 -0.10 0.00 0.02 0.12 -0.01 -0.04 -0.06 0.00 0.02 -0.01 -0.02 -0.08 0.07 0.01 0.02 -0.07 -0.00 0.02 0.01 0.01 0.02 -0.03 0.00 0.02 0.00 -0.00 -0.01 0.01 0.00 0.01 -0.06 -0.08 0.08 0.04 0.10 -0.10 -0.15 0.25 -0.17 -0.09 0.37 -0.14 -0.31 -0.09 -0.02 -0.28 -0.20 -0.03 0.21 -0.06 -0.26 -0.25 -0.04 -0.16 0.06 0.03 0.09 -0.08 0.03 0.14 0.22 0.05 0.12 0.12 -0.04 -0.01 0.13 0.04 -0.02 -0.02 -0.00 -0.01 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.08 0.01 -0.02 -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 0.01 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.54 -0.41 -0.19 0.48 0.18 0.47 -0.01 0.06 0.04 -0.00 -0.08 0.05 -0.00 -0.03 -0.05 0.00 0.03 -0.03 0.01 -0.00 -0.01 0.01 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.01 -0.01 -0.00 0.01 0.01 -0.01 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.04 0.00 0.00 -0.00 -0.00 -0.00 -0.04 -0.00 -0.00 0.00 -0.00 -0.00 0.02 -0.00 -0.01 0.00 0.01 -0.05 -0.00 -0.00 0.00 0.17 -0.02 -0.03 -0.10 -0.01 -0.07 -0.09 0.03 0.11 -0.00 0.00 0.01 0.14 0.00 0.00 -0.03 0.01 0.06 -0.03 -0.02 -0.07 0.02 0.00 0.00 -0.01 0.00 0.01 -0.01 -0.00 -0.01 0.01 0.00 0.00 0.01 -0.01 -0.00 -0.03 0.00 0.04 -0.00 0.00 -0.00 0.01 0.00 0.01 -0.06 0.03 0.02 -0.04 -0.06 0.00 0.17 0.08 0.42 -0.33 -0.12 0.29 0.02 -0.01 -0.01 -0.01 0.01 -0.02 0.32 -0.05 -0.25 0.30 0.00 0.01 -0.04 -0.01 -0.03 -0.01 -0.00 -0.01 -0.04 -0.01 -0.01 0.14 -0.21 -0.19 0.13 0.16 -0.25 -0.01 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.01 -0.01 -0.01 0.00 0.00 0.00 -0.01 -0.00 -0.01 0.00 -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 -0.01 -0.00 -0.00 -0.02 0.00 0.01 -0.00 0.00 0.00 0.01 0.00 0.01 0.00 0.00 -0.00 0.02 -0.00 -0.01 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.01 -0.01 -0.06 -0.01 -0.00 -0.01 0.01 0.00 0.00 -0.01 -0.00 0.01 -0.00 0.00 -0.02 0.08 0.17 0.28 -0.30 0.01 0.19 0.02 -0.01 -0.02 -0.00 0.02 -0.02 0.03 -0.01 -0.03 -0.01 -0.00 -0.02 0.00 0.00 0.00 -0.01 0.00 0.01 -0.01 -0.00 -0.00 -0.05 0.42 0.43 -0.03 -0.31 0.54 -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 -0.03 0.01 0.01 -0.01 0.00 0.01 -0.02 -0.00 -0.01 -0.01 0.00 0.02 0.00 -0.00 -0.00 -0.03 0.02 0.05 -0.01 -0.00 0.02 0.09 -0.01 -0.02 -0.04 -0.00 -0.03 -0.03 0.01 0.05 0.04 -0.00 -0.02 0.07 0.00 0.01 -0.02 0.00 0.02 -0.02 -0.01 -0.03 -0.05 -0.01 -0.01 0.03 0.00 -0.01 0.01 0.00 0.02 -0.02 -0.00 -0.01 -0.02 0.00 0.00 -0.01 -0.00 -0.03 -0.01 -0.00 -0.01 0.01 0.00 0.01 0.02 0.02 -0.02 -0.01 -0.02 0.04 -0.11 -0.31 -0.43 0.49 -0.07 -0.29 0.09 -0.09 -0.14 -0.02 0.13 -0.17 0.13 -0.02 -0.11 0.13 0.00 0.01 0.11 0.02 0.06 0.06 0.00 -0.02 0.12 0.02 0.04 0.02 0.20 0.21 0.02 -0.14 0.26 -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 -0.01 0.01 0.01 0.02 -0.00 -0.01 -0.01 -0.00 -0.00 0.03 -0.01 -0.04 -0.01 -0.00 -0.01 -0.01 0.01 0.03 0.03 0.01 -0.05 0.03 -0.00 -0.01 -0.02 -0.00 -0.01 -0.01 0.01 0.02 -0.09 0.00 0.03 0.02 0.00 -0.00 -0.01 0.00 0.01 -0.01 -0.00 -0.01 0.10 0.02 0.03 -0.08 -0.00 0.02 -0.01 -0.01 -0.04 0.05 0.01 0.02 0.04 0.00 -0.01 -0.00 -0.00 -0.02 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.01 -0.03 -0.01 0.03 0.00 0.04 -0.06 -0.12 -0.20 0.21 -0.02 -0.13 -0.28 0.24 0.37 0.04 -0.34 0.45 0.06 -0.01 -0.05 0.05 0.00 0.01 -0.24 -0.05 -0.13 -0.14 -0.00 0.05 -0.27 -0.04 -0.09 0.00 0.11 0.11 0.01 -0.08 0.14 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.04 -0.01 -0.01 -0.00 0.00 0.00 -0.04 0.01 0.04 -0.00 0.00 0.00 0.00 -0.00 -0.01 -0.00 -0.00 -0.07 0.01 0.00 0.00 -0.01 -0.00 -0.01 0.00 0.00 0.00 0.12 0.00 -0.03 0.00 -0.00 -0.01 -0.00 0.00 0.01 -0.00 0.00 0.00 -0.08 -0.02 -0.04 0.09 0.00 -0.01 -0.01 0.01 0.04 -0.06 -0.01 -0.03 -0.04 -0.00 0.01 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.05 -0.00 -0.03 0.01 -0.01 0.03 0.01 0.03 0.05 -0.05 -0.02 0.04 -0.15 0.34 0.45 0.19 -0.30 0.53 0.02 -0.00 -0.01 0.01 0.00 0.01 0.24 0.04 0.11 0.17 -0.01 -0.08 0.28 0.04 0.09 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.02 0.01 0.01 -0.00 -0.00 -0.00 0.02 -0.01 -0.05 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.01 0.00 0.00 0.00 -0.01 -0.10 -0.08 -0.33 0.14 0.04 0.20 -0.05 0.06 0.22 0.00 -0.00 -0.01 0.07 0.11 0.48 0.08 -0.07 -0.32 -0.13 -0.05 -0.22 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 -0.03 0.00 0.02 0.01 -0.00 -0.01 0.00 0.00 0.00 -0.01 0.01 -0.00 -0.00 -0.00 -0.00 -0.02 0.08 0.04 -0.03 -0.02 0.03 -0.02 0.03 0.04 0.02 -0.04 0.06 -0.47 0.02 0.14 0.22 -0.04 -0.14 -0.00 -0.00 0.00 -0.01 -0.00 0.00 0.01 0.00 0.00 0.05 -0.04 -0.02 0.06 0.04 -0.03 -0.01 -0.00 -0.01 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.01 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.02 -0.01 -0.04 0.00 -0.00 -0.00 0.09 -0.04 -0.20 0.01 0.00 -0.01 -0.00 0.00 0.00 -0.01 0.01 0.02 -0.01 -0.00 -0.00 0.01 0.00 0.00 0.00 0.00 0.00 0.03 0.10 0.38 0.00 0.00 0.01 -0.00 -0.00 -0.00 -0.01 -0.00 -0.00 -0.01 -0.05 -0.21 -0.00 -0.09 -0.37 -0.20 0.05 0.27 0.07 0.05 0.17 0.00 0.01 0.05 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.03 -0.01 0.03 0.00 -0.00 -0.01 0.00 -0.01 0.00 0.00 -0.00 -0.00 -0.00 -0.02 -0.02 -0.01 0.02 0.01 -0.01 0.00 -0.00 0.00 -0.00 -0.00 0.29 -0.00 -0.10 0.47 -0.01 -0.19 -0.29 -0.01 0.06 0.00 0.00 0.01 0.01 -0.00 0.01 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.02 0.00 0.00 0.00 0.00 -0.00 0.03 -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 0.19 -0.01 -0.01 -0.28 0.00 -0.02 -0.27 0.03 0.10 0.01 0.00 0.01 -0.26 0.00 0.03 0.28 -0.03 -0.16 0.37 0.01 0.04 -0.03 -0.00 -0.01 -0.03 -0.01 -0.01 0.03 0.00 -0.01 0.03 0.01 0.01 0.00 0.00 0.00 0.02 0.00 0.01 0.04 0.00 0.01 -0.04 -0.00 -0.02 0.01 0.00 -0.01 0.00 -0.02 0.03 -0.01 -0.07 -0.04 0.09 -0.06 -0.02 -0.01 0.01 0.02 -0.00 -0.02 0.02 -0.28 0.07 0.34 -0.43 -0.05 -0.19 0.03 0.00 0.02 -0.03 0.01 0.04 -0.06 -0.01 -0.02 -0.08 -0.06 -0.07 -0.08 0.04 -0.08 -0.02 0.00 0.02 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.01 0.00 -0.00 0.16 0.01 -0.01 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.02 0.01 0.01 0.01 -0.00 0.00 -0.02 0.00 -0.00 -0.02 0.00 0.01 -0.14 -0.02 -0.04 -0.03 0.00 0.00 0.03 -0.00 -0.02 0.04 0.00 0.00 0.31 0.04 0.05 0.23 0.04 0.06 -0.31 -0.00 0.09 -0.29 -0.05 -0.11 -0.03 -0.01 -0.01 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.02 -0.01 0.02 0.00 -0.00 0.00 -0.00 -0.02 -0.02 0.02 0.01 -0.02 -0.03 -0.07 -0.06 -0.08 0.01 -0.07 -0.03 0.00 0.03 -0.05 -0.01 -0.02 -0.22 -0.07 -0.22 0.28 -0.06 -0.36 0.47 0.07 0.14 -0.01 0.01 0.01 -0.01 -0.01 0.02 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.01 0.00 -0.00 0.01 0.00 0.01 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.03 -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 -0.01 0.00 0.00 0.01 -0.00 -0.00 0.02 -0.00 -0.00 0.00 -0.00 -0.00 0.04 -0.00 -0.01 -0.02 0.00 0.01 -0.03 -0.00 -0.01 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.10 -0.00 -0.00 0.58 0.04 0.17 -0.50 -0.04 -0.23 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.03 -0.01 -0.03 0.04 0.00 0.01 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.11 0.08 0.08 0.10 -0.05 0.10 -0.42 0.01 0.28 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.01 -0.02 0.06 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.01 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 0.04 0.66 -0.58 0.04 -0.42 -0.20 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 0.06 -0.04 -0.00 -0.01 -0.00 0.00 -0.00 0.01 -0.01 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.21 -0.20 -0.31 -0.48 0.66 0.32 0.09 0.02 -0.03 -0.02 -0.02 -0.02 0.04 -0.14 0.11 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 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.01 -0.09 -0.01 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.01 -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 0.03 0.33 -0.32 -0.10 0.77 0.42 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.01 -0.01 -0.01 -0.00 0.00 0.00 0.01 -0.05 0.06 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.01 -0.10 0.14 0.07 0.04 0.01 -0.02 -0.02 -0.02 -0.03 -0.19 0.74 -0.56 0.11 -0.18 -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 -0.02 -0.05 -0.06 -0.00 0.01 0.04 -0.00 0.01 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.41 0.35 0.56 -0.17 0.21 0.10 0.29 0.10 -0.12 -0.23 -0.18 -0.30 0.02 -0.08 0.06 0.02 -0.03 -0.02 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.01 0.03 0.03 -0.03 0.00 0.05 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.22 -0.19 -0.31 0.16 -0.22 -0.09 0.63 0.20 -0.25 -0.27 -0.21 -0.34 -0.00 0.01 -0.01 -0.02 0.04 0.03 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -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 -0.08 -0.04 -0.03 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.07 0.06 0.11 -0.01 0.02 0.01 0.54 0.18 -0.23 0.42 0.32 0.56 0.00 -0.01 0.01 0.01 -0.02 -0.01 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -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 0.04 -0.07 -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 0.03 0.03 0.04 -0.05 0.06 0.03 0.01 0.00 -0.00 0.01 0.01 0.01 -0.03 0.15 -0.13 -0.49 0.67 0.50 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.01 0.00 0.02 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.03 -0.02 -0.08 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 0.01 -0.01 -0.01 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.02 0.01 0.03 -0.02 -0.01 -0.03 -0.36 0.22 0.90 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.01 0.00 0.02 -0.00 0.00 0.00 -0.05 -0.02 -0.06 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.13 -0.05 -0.26 0.55 0.22 0.74 -0.02 0.01 0.04 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.01 -0.01 -0.09 0.01 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.01 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.01 0.00 0.04 0.09 0.99 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.04 -0.01 -0.07 -0.00 0.00 0.00 -0.02 -0.01 -0.02 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.43 0.16 0.83 0.18 0.07 0.23 0.01 -0.01 -0.02 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 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 -0.08 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.03 -0.01 -0.03 -0.28 0.21 0.93 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 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 -0.06 -0.01 -0.06 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.67 0.15 0.72 -0.01 0.01 0.04 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.01 0.01 -0.00 0.02 0.01 -0.00 0.00 0.00 17 17 17 17 9 9 9 8 8 8 7 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 1 1 1 1 1 1 1 1 1 1 1 1 1 1 298.150 1.00000 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 17 17 17 17 9 9 9 8 8 8 7 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 1 1 1 1 1 1 1 1 1 1 1 1 1 1 34.96885 34.96885 34.96885 34.96885 18.99840 18.99840 18.99840 15.99491 15.99491 15.99491 14.00307 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 488.96799 0.99993 -0.01214 -5.2E-4 0.01215 0.99983 0.01405 3.5E-4 -0.01406 0.9999 asymmetric 1 0.01049 0.00377 0.00348 0.21862 0.07863 0.07243 777170.5 21.57 31.76 42.12 45.68 56.63 65.43 72.86 94.35 103.24 109.33 142.89 169.08 186.37 202.64 220.84 246.31 278.52 291.97 309.01 318.89 331.00 337.99 367.52 374.76 404.94 433.82 457.46 478.88 521.27 553.97 567.06 571.16 630.20 632.46 637.88 686.30 691.63 699.56 743.03 758.64 778.87 811.87 822.83 870.21 885.46 890.17 935.83 950.66 962.49 1037.06 1086.75 1109.83 1114.25 1142.28 1147.29 1154.87 1204.74 1223.92 1244.01 1253.14 1255.64 1266.70 1367.45 1384.26 1397.64 1423.20 1428.93 1470.81 1497.14 1530.48 1544.66 1555.24 1564.71 1578.24 1584.03 1593.74 1607.00 1617.67 1676.22 1756.85 1786.38 1802.63 1823.70 1831.72 1839.94 1842.06 1879.85 1897.30 1901.31 1909.14 1930.35 1940.08 2001.11 2014.99 2040.19 2041.63 2058.92 2064.67 2111.30 2133.02 2167.17 2178.68 2184.06 2205.69 2283.56 2307.41 2351.33 2372.15 2436.61 4307.95 4352.27 4366.84 4395.27 4422.91 4436.44 4504.13 4544.83 4576.47 4586.04 4604.58 4622.35 4626.11 4644.86 0.296009 0.323523 0.324467 0.233960 -3115.267613 -3115.240098 -3115.239154 -3115.329661 203.014 100.785 190.488 0.000 0.000 0.000 0.889 2.981 44.449 0.889 2.981 36.799 201.236 94.823 109.240 1 0.593 1.986 7.207 2 0.593 1.985 6.438 3 0.593 1.984 5.878 4 0.594 1.983 5.717 5 0.594 1.981 5.291 6 0.595 1.979 5.005 7 0.595 1.977 4.792 8 0.597 1.971 4.282 9 0.598 1.967 4.105 10 0.599 1.965 3.992 11 0.604 1.950 3.468 12 0.608 1.935 3.141 13 0.612 1.924 2.953 14 0.615 1.912 2.792 15 0.619 1.899 2.629 16 0.626 1.878 2.422 17 0.635 1.849 2.193 18 0.639 1.836 2.106 19 0.645 1.818 2.003 20 0.648 1.808 1.946 21 0.652 1.795 1.878 22 0.655 1.787 1.841 23 0.666 1.754 1.693 24 0.669 1.745 1.659 25 0.681 1.708 1.525 26 0.694 1.671 1.408 27 0.704 1.639 1.321 28 0.715 1.610 1.246 29 0.736 1.550 1.112 30 0.754 1.502 1.019 31 0.761 1.483 0.984 32 0.763 1.477 0.974 33 0.798 1.387 0.833 34 0.800 1.384 0.828 35 0.803 1.376 0.816 36 0.834 1.301 0.718 37 0.837 1.293 0.708 38 0.842 1.281 0.693 39 0.871 1.214 0.618 40 0.882 1.190 0.593 41 0.896 1.159 0.562 42 0.920 1.109 0.515 43 0.928 1.092 0.501 44 0.963 1.022 0.441 45 0.975 0.999 0.424 46 0.979 0.992 0.419 0.346972e+29 28.540294 65.716455 0.331941e+13 12.521061 28.830808 0.100000e+01 0.000000 0.000000 0.424986e+09 8.628375 19.867567 0.245957e+08 7.390859 17.018081 as ./ancestor::cml:module[@dictRef='cc:finalization']/cml:molecule[@id='mol9999'] -2.3129 1.4177 0.8441 2.8411 -200.4343 -201.0060 -191.1723 -13.2293 0.0496 3.9880 -2.8968 -3.4684 6.3652 -13.2293 0.0496 3.9880 -86.7168 22.4687 -2.1665 15.7095 49.8873 -8.8742 25.0821 18.5522 7.2222 5.4651 -12855.7578 -3616.6146 -2162.1173 -112.4342 -109.7754 26.2538 7.0481 -16.8363 22.4680 -2903.6736 -2508.5687 -938.4365 10.9904 14.9598 11.9181 (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A) (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(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 -3115.5636214 1.835E-9 5.774E-6 0.2960086 0.3235231 -3115.2400983 -3115.2391542 -3115.3296613 7.2128793,-10.1955543,2.982675,4.1460647,0.4263476,4.7505369 C01 [X(C18H14Cl4F3N1O3)] -1.1051239 0.0050151 -0.167645 -0.2021942 -0.0107992 -0.2171596 -0.0410873 -0.0712502 -0.1068328 -0.2444923 -0.0688579 -0.5663074 -0.1549651 0.1619734 0.1603364 0.1569786 -0.3810236 -0.2862469 0.1904384 -0.3478949 -0.3521228 -0.6049571 0.2925393 -0.2437415 0.2985823 -0.1598514 0.0653201 -0.3626314 0.1292721 -0.2586439 -0.1355551 0.0361329 -0.1479325 0.0980486 -0.1199807 -0.1577918 -0.0349287 -0.22169 -0.5992954 -0.7128389 -0.0231359 -0.2254379 -0.0507314 -0.4073737 -0.0302128 -0.3136612 -0.0302595 -0.4770875 -0.45114 0.0074748 0.0347052 0.0748457 -1.1346251 0.2686948 0.0133447 0.2758875 -0.3260527 -0.6675749 0.1241848 0.2731291 0.1705242 -0.4503722 -0.0399006 0.3686036 -0.0068032 -0.6156392 -1.5623351 0.165364 0.0072058 0.2404509 -0.4611681 0.0526673 -0.302345 0.1221336 -0.3270138 -1.1914098 0.855076 0.0524977 0.7856843 -1.2176046 -0.0978004 0.1093432 -0.0974701 -0.3336709 -1.6316654 0.814159 0.0111662 0.8963769 -0.8607629 -0.0744209 -0.0580118 0.0025518 -0.3413834 -0.6884477 0.3882497 0.0054375 0.1467964 -0.4494746 -0.0203559 -0.2971715 0.2108001 -0.3968864 0.0476256 0.024743 0.0368168 0.0007175 0.0567694 0.043547 0.0779199 0.0832866 -0.0167382 0.9733297 0.1493409 -0.0691835 0.3171886 0.3059388 -0.0769109 0.0469444 -0.1045899 0.2961555 0.3795892 -0.1775794 -0.1233365 -0.3286148 0.7258634 0.0621422 -0.2969193 0.2670381 0.3227326 0.8779171 -0.2790332 0.0288011 -0.5070116 0.0718226 -0.2061854 0.1520359 -0.242242 -0.2614116 0.2545804 -0.1500187 0.2467136 0.0709374 0.0622464 0.2901198 0.44648 0.0572931 0.8182051 0.1532369 -0.2404401 -0.0691722 -0.3399421 0.5231631 0.4137928 -0.2371203 0.5957026 0.5678314 1.2718214 -0.9635915 0.0020078 -0.7395385 1.0160485 -0.0008532 0.0669799 -0.0843619 0.2455191 1.341297 -0.7370524 0.0753124 -0.662971 0.553036 -0.0270282 0.3962483 -0.2206134 0.1209756 -0.3760718 0.187153 0.034236 0.0033371 -0.1737643 -0.0492851 -0.3089482 0.1596539 -0.241083 -0.3182085 0.1308035 -0.0238945 0.2259226 -0.289223 -0.0031647 0.1814307 -0.1034059 -0.0919775 -0.298372 0.1930806 0.0255785 0.3055632 -0.4413177 0.0064603 0.2768604 -0.1545587 -0.0153468 -0.4750844 0.2648168 -0.0033437 0.0461429 -0.2878963 -0.08656 -0.1380287 0.0502613 -0.297971 0.2813853 -0.2435545 0.0777716 -0.1054958 0.089782 0.0692954 0.220328 -0.0248419 0.1406523 0.3258464 -0.256159 0.0046219 -0.1654204 0.2807221 0.1507758 0.0753789 0.0353624 0.2475486 2.0108252 -0.2795948 -0.0768095 -0.2959259 2.0324353 -0.2176527 -0.0429058 -0.2892576 1.3718152 0.7618876 -0.2787744 -0.1641138 -0.4790395 0.6900939 0.0635927 -0.4882369 0.2577788 0.3323817 -0.1524072 0.0274421 -0.0462736 0.1276267 -0.2103885 -0.044327 0.146408 -0.1358464 -0.2373314 0.7960165 -0.4238293 0.4398093 -0.5302601 0.3159555 0.1738483 0.3921644 0.1974356 1.0199496 0.0836541 0.0069648 -0.0205537 0.0598071 -0.0634916 -0.0657723 0.0168866 -0.0401348 -0.0255294 -0.1451163 -0.0207274 -0.0231926 -0.110376 0.0405267 0.0060879 -0.031343 0.0231921 0.038052 -0.0814437 0.0421669 -0.0353807 0.0918013 -0.0337317 0.0806936 -0.0443563 0.0714843 0.0225511 0.0091515 0.0100602 0.0377678 -0.0748842 -0.0098958 -0.0688285 0.010114 -0.0663479 0.0046815 -0.0181002 -0.000641 0.0792099 -0.0117098 -0.0554816 0.0984042 0.1200996 -0.0151849 -0.0662194 -0.0326719 -0.0213858 -0.0365446 0.054478 0.0200292 -0.0212404 0.0019804 -0.0507146 0.0484855 0.1043495 0.022429 -0.0055937 0.0557911 0.0735303 -0.0664231 0.031825 -0.0775215 0.0733225 0.0914762 0.0126897 -0.0314932 0.0248033 0.1227997 -0.0140765 -0.0524052 -0.0222979 0.0495945 0.0593782 0.0347053 -0.0457089 0.0396553 0.1285602 -0.0027185 -0.0642522 -0.0229751 0.0270456 0.1006344 0.0402095 0.0167254 0.0278055 0.0665183 -0.0475569 0.013754 -0.0632588 0.0452707 0.042089 0.0195858 -0.0548049 -0.0095005 0.0903167 -0.0302243 -0.0658223 0.0007422 0.0371179 -0.0534284 0.0462723 0.0234833 0.0501944 -0.0527016 0.0680334 0.0834685 0.0150198 -0.0526869 -0.1052118 -0.0005159 -0.0212059 0.0466137 -0.0414096 -0.0315822 -0.0044994 -0.0532305 0.0299404 0.0931083 0.0492147 0.0115439 0.0358353 0.106631 -0.0395238 -0.0509575 -0.0105367 0.0405704 318.3746758|-78.7469087|260.0429821|12.6783891|28.9629639|249.9598442 0.000001360 -0.000000880 -0.000003837 -0.000002006 -0.000000919 0.000000260 0.000003624 -0.000003840 0.000002865 -0.000004030 -0.000006857 -0.000005656 -0.000004858 0.000000699 0.000006036 -0.000000469 -0.000002382 -0.000003778 0.000007889 0.000003391 -0.000012822 -0.000022056 -0.000013846 -0.000007140 -0.000009774 0.000015466 0.000014346 0.000000096 -0.000013425 -0.000003153 0.000002415 0.000000881 0.000005237 -0.000002811 -0.000004071 0.000001229 0.000010471 0.000020812 0.000004766 -0.000000587 -0.000016710 -0.000010765 0.000016873 0.000001163 0.000002024 -0.000005392 0.000002394 -0.000004602 0.000003939 0.000005057 0.000006768 0.000006198 -0.000006404 -0.000009159 0.000001612 0.000003114 -0.000002072 0.000001355 -0.000004750 0.000001327 -0.000002616 0.000001514 -0.000000431 -0.000005219 0.000005508 0.000001377 -0.000000866 0.000000024 0.000000422 0.000003691 -0.000005675 0.000000932 0.000003158 0.000002864 0.000001058 -0.000004890 0.000002947 0.000005706 -0.000001083 0.000008384 0.000012338 0.000001298 0.000006499 -0.000000195 0.000005504 0.000004724 -0.000001801 0.000001176 -0.000000789 0.000000211 -0.000000610 -0.000003769 0.000002027 -0.000004784 -0.000001324 -0.000000593 -0.000002022 -0.000002236 0.000000586 -0.000002244 0.000001682 0.000004173 -0.000000134 -0.000001852 0.000002130 -0.000001184 0.000002088 -0.000000377 0.000000791 -0.000000174 0.000000177 0.000001006 -0.000000103 -0.000000968 0.000000459 -0.000000125 -0.000000944 0.000001076 -0.000000706 -0.000000288 0.000000676 0.000002789 -0.000002578 -0.000000301 -0.000005254 -0.000003656 0.000003266 0.000004091 -0.000001179 477.0047095999997 AuxInfo=1/0/N:12;13;14;15;16;17;18;19;20;21;22;23;24;25;26;27;28;29;1;2;3;4;5;6;7;11;8;9;10;30;31;32;33;34;35;36;37;38;39;40;41;42;43/rA:43nCl0Cl0Cl0Cl0F0F0F0O0O0O0N0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:-2.0364,1.5694,-3.0009;-1.7486,4.1569,1.8003;5.8073,-2.1402,.3591;4.1918,-2.023,-2.092;1.6615,-2.5823,1.8251;.4508,-4.3165,1.3186;1.4983,-3.2391,-.2485;-3.0029,3.4443,-.7695;-3.6832,.1518,.3027;1.7841,.8781,.3571;-1.838,-.4706,1.548;-4.7811,2.2725,.5482;-4.2516,2.7129,-.8153;-3.9492,1.2093,1.255;-1.8426,2.7689,-.5449;-1.2622,1.8803,-1.456;-1.1043,3.0269,.6265;-2.592,-.6135,.4668;.6198,1.4825,-.0123;-.0561,1.2275,-1.203;.1003,2.4043,.8989;-2.3138,-1.5353,-.5623;-.3888,-2.185,.7088;-1.1988,-2.3315,-.4292;-.751,-1.2426,1.6604;.7998,-3.0715,.9064;2.3977,-.0227,-.5639;3.6045,-.592,.1168;4.4267,-1.4621,-.4548;-4.8652,3.136,1.2141;-5.7942,1.8898,.3784;-4.946,3.4215,-1.2669;-4.1592,1.8524,-1.477;-4.4888,.7842,2.1056;-3.0076,1.6028,1.6264;.324,.54,-1.9429;.6328,2.6049,1.818;-2.964,-1.5856,-1.425;-.9399,-3.0526,-1.1954;-.1452,-1.0936,2.5469;2.6744,.5071,-1.4849;1.7029,-.8263,-.8353;3.7864,-.2846,1.1388; Gaussian 16 3-Sep-2024 Gaussian 16 3-Jul-2019 EM64L-G16RevC.01 123 C1[X(C18H14Cl4F3NO3)] RB3LYP 6-311+G(d,p) SP #P B3LYP 6-311+G(d,p) EmpiricalDispersion=gd3 geom=check guess=read output=wfx 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 477.0047095999997 AuxInfo=1/0/N:12;13;14;15;16;17;18;19;20;21;22;23;24;25;26;27;28;29;1;2;3;4;5;6;7;11;8;9;10;30;31;32;33;34;35;36;37;38;39;40;41;42;43/rA:43nCl0Cl0Cl0Cl0F0F0F0O0O0O0N0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:-2.0364,1.5694,-3.0009;-1.7486,4.1569,1.8003;5.8073,-2.1402,.3591;4.1918,-2.023,-2.092;1.6616,-2.5823,1.8251;.4508,-4.3165,1.3186;1.4983,-3.2391,-.2485;-3.0029,3.4443,-.7695;-3.6832,.1518,.3027;1.7841,.8781,.3571;-1.838,-.4706,1.548;-4.7811,2.2725,.5482;-4.2516,2.7129,-.8153;-3.9492,1.2093,1.255;-1.8426,2.7689,-.5449;-1.2622,1.8803,-1.456;-1.1043,3.0269,.6265;-2.592,-.6135,.4668;.6198,1.4825,-.0123;-.0561,1.2275,-1.203;.1003,2.4043,.8989;-2.3138,-1.5353,-.5623;-.3888,-2.185,.7088;-1.1988,-2.3315,-.4292;-.751,-1.2426,1.6604;.7998,-3.0715,.9064;2.3977,-.0227,-.5639;3.6045,-.592,.1168;4.4267,-1.4621,-.4548;-4.8652,3.136,1.2141;-5.7942,1.8898,.3784;-4.946,3.4215,-1.2669;-4.1592,1.8524,-1.477;-4.4888,.7842,2.1056;-3.0076,1.6028,1.6264;.324,.54,-1.9429;.6328,2.6049,1.818;-2.964,-1.5856,-1.425;-.9399,-3.0526,-1.1954;-.1452,-1.0936,2.5469;2.6744,.5071,-1.4849;1.7029,-.8263,-.8353;3.7864,-.2846,1.1388; oldchk=opt-b3lyp-pople.chk #P B3LYP 6-311+G(d,p) EmpiricalDispersion=gd3 geom=check guess=read ou 1/29=2,38=1,172=1/1 2/12=2,40=1/2 3/5=4,6=6,7=111,11=2,14=-4,25=1,30=1,74=-5,116=-2,124=31/1,2,3 4/5=1/1 5/5=2,38=6/2 6/7=2,8=2,9=2,10=2,28=1/1 99/5=1,6=200,9=1/99 Wavefunction Pyridalyl CONF66 gas Redundant internal coordinates found in file. (old form). 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 35 35 35 35 19 19 19 16 16 16 14 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 1 1 1 1 1 1 1 1 1 1 1 1 1 1 34.9688527 34.9688527 34.9688527 34.9688527 18.9984033 18.9984033 18.9984033 15.9949146 15.9949146 15.9949146 14.0030740 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 3 3 3 3 1 1 1 0 0 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 14.2400000 14.2400000 14.2400000 14.2400000 6.7500000 6.7500000 6.7500000 5.6000000 5.6000000 5.6000000 4.5500000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 (Enter /usr/local/gaussian/gaussian16/g16/l101.exe) 6-311+G(d,p) (5D, 7F) 0.10000e-02 0.10000e-05 F 783 A 754 A 754 1224 783 124 124 3730.5081202713 43 43 43 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 -0.0662653001 0.000000 5.461599 0.000000 9.304558 9.940923 0.000000 7.247272 9.414353 2.937928 0.000000 7.362173 7.552895 4.419455 4.696676 0.000000 7.712788 8.767412 5.860742 5.557589 2.174845 0.000000 6.571998 8.333086 4.488231 3.483161 2.181277 2.171083 0.000000 3.070606 2.946972 10.491921 9.132659 8.050391 8.747437 8.074646 0.000000 3.954143 4.693192 9.763472 8.513547 6.193456 6.171477 6.216871 3.528876 0.000000 5.133303 5.031248 5.029507 4.495746 3.760838 5.448410 4.171260 5.547121 5.515588 0.000000 4.989364 4.635259 7.915231 7.212373 4.096638 4.481260 4.692815 4.696238 2.311493 4.044340 0.000000 4.541291 3.783491 11.472654 10.292508 8.167449 8.448725 8.393030 2.504237 2.400637 6.714390 4.145668 0.000000 3.315324 3.897626 11.230024 9.764774 8.365170 8.722268 8.295091 1.447864 2.851722 6.416483 4.641753 1.527529 0.000000 4.679810 3.718691 10.354257 9.376909 6.795689 7.063842 7.191892 3.160571 1.447660 5.812639 2.713899 1.523845 2.576502 0.000000 2.740121 2.726743 9.134453 7.859464 6.821427 7.676948 6.880840 1.361191 3.309945 4.188355 3.856866 3.174279 2.424781 3.179623 0.000000 1.755763 4.002896 8.332834 6.736930 6.263253 7.002301 5.940199 2.438825 3.455773 3.683985 3.857829 4.068631 3.168710 3.875582 1.398866 0.000000 4.018860 1.752094 8.633635 7.806434 6.367787 7.538014 6.841123 2.393319 3.875780 3.610069 3.690522 3.754251 3.476107 3.434004 1.408532 2.382573 0.000000 4.134996 5.024560 8.537574 7.386086 4.879935 4.867870 4.912802 4.261791 1.342863 4.624609 1.325939 3.623236 3.932288 2.405354 3.609161 3.418270 3.935867 0.000000 3.999331 4.005908 6.338130 5.419698 4.580764 5.952078 4.808376 4.188814 4.515019 1.362879 3.505674 5.487067 5.088156 4.749348 2.828809 2.405058 2.401169 3.864968 0.000000 2.696519 4.523874 6.939787 5.422278 5.160773 6.111472 4.824636 3.712960 4.071843 2.437687 3.691414 5.146281 4.467566 4.604129 2.449658 1.394553 2.771900 3.550750 1.392647 0.000000 4.524505 2.702285 7.315325 6.729621 5.306714 6.742965 5.926107 3.673555 4.443383 2.336290 3.527498 4.895734 4.687513 4.237114 2.447958 2.770684 1.383001 4.067189 1.396438 2.413978 0.000000 3.957590 6.188830 8.195588 6.700882 4.753906 4.349249 4.187339 5.031269 2.338684 4.843823 2.411078 4.671123 4.676068 3.675467 4.329954 3.683843 4.867150 1.409222 4.244426 3.624979 4.845927 0.000000 5.529137 6.577226 6.206127 5.371488 2.368150 2.370665 2.364036 6.380246 4.059330 3.771946 2.396546 6.259958 6.421297 4.949296 5.312884 4.687795 5.261365 2.716993 3.871350 3.925579 4.619181 2.396532 0.000000 4.746792 6.882745 7.052911 5.649704 3.650558 3.117051 2.851442 6.060568 3.588113 4.451690 2.789424 5.914800 5.908847 4.789367 5.142229 4.335607 5.462194 2.386467 4.245869 3.817165 5.087173 1.376591 1.404466 0.000000 5.593461 5.492659 6.746093 6.254655 2.764456 3.318118 3.562161 5.739535 3.519266 3.552784 1.337937 5.462117 5.833451 4.050252 4.706105 4.441348 4.407021 2.282483 3.478891 3.844814 3.821533 2.732818 1.387381 2.398460 0.000000 6.696929 7.716399 5.122644 4.647090 1.351266 1.357079 1.360073 7.728179 5.554379 4.107238 3.759519 7.735184 7.870203 6.403074 6.572626 5.861120 6.394806 4.211800 4.649165 4.864452 5.520274 3.769866 1.495927 2.515151 2.513611 0.000000 5.304254 6.344294 4.118396 3.091176 3.577796 5.076444 3.354620 6.420984 6.144790 1.426940 4.754122 7.618380 7.194439 6.716329 5.076799 4.220387 4.793807 5.129145 2.393890 2.827079 3.648058 4.948363 3.749634 4.275926 4.043458 3.742992 0.000000 6.797950 7.351300 2.703317 2.696638 3.264141 5.026118 3.402492 7.793295 7.327918 2.352156 5.628832 8.871867 8.573796 7.848479 6.434677 5.680712 5.960567 6.206419 3.637115 4.295621 4.676436 6.031422 4.339921 5.137730 4.666496 3.825932 1.497975 0.000000 7.579237 8.648297 1.740193 1.746495 3.754810 5.205717 3.431570 8.909064 8.303533 3.622012 6.651341 9.986840 9.637111 8.956299 7.564025 6.673619 7.204981 7.129606 4.833112 5.281017 5.958168 6.741790 5.006551 5.692351 5.597351 4.194884 2.490127 1.326614 0.000000 5.312492 3.331518 11.936144 10.935086 8.698880 9.154795 9.125514 2.738211 3.336661 7.074331 4.720534 1.093718 2.161974 2.133792 3.516399 4.657113 3.808137 4.448012 5.858623 5.710719 5.028983 5.611205 6.971820 6.785023 6.024782 8.409513 8.117169 9.318698 10.500834 0.000000 5.063857 4.850579 12.281513 11.006073 8.813663 8.854488 8.937488 3.394850 2.735469 7.645562 4.753051 1.096169 2.117018 2.153022 4.152132 4.889219 4.832160 4.065523 6.438749 5.988729 5.939710 4.972793 6.777248 6.291988 6.073662 8.268862 8.464769 9.724368 10.788699 1.764779 0.000000 3.860378 4.491213 12.215105 10.668794 9.448011 9.781917 9.323565 2.005799 3.840492 7.375651 5.721195 2.154473 1.090030 3.499603 3.252338 3.997700 4.301067 4.982771 6.025880 5.359907 5.584773 5.656327 7.490220 6.916645 6.922451 8.938454 8.141612 9.546378 10.599812 2.498670 2.402579 0.000000 2.628372 4.675661 10.892285 9.226920 8.028098 8.192754 7.709642 2.090847 2.507160 6.295680 4.464850 2.159740 1.089412 2.814443 2.659919 2.897215 3.890556 3.509216 5.012014 4.159406 4.908376 3.964567 5.940791 5.231268 5.571106 7.383502 6.880535 8.293957 9.260000 3.064017 2.473250 1.767892 0.000000 5.718954 4.356255 10.844844 10.042549 7.016976 7.143907 7.587690 4.189257 2.073429 6.512664 2.985311 2.173964 3.508237 1.093324 4.238704 4.929264 4.321121 2.870010 5.574069 5.548999 5.013972 4.150595 5.251332 5.191948 4.275157 6.653801 7.429691 8.446898 9.543933 2.543123 2.431019 4.305579 3.752908 0.000000 4.728241 2.852871 9.660091 8.877182 6.273318 6.862387 6.874695 3.021866 2.076995 5.009634 2.381807 2.180983 2.956715 1.086065 2.726156 3.553190 2.578850 2.535605 3.982156 4.105776 3.290944 3.888281 4.695409 4.793285 3.631703 6.071486 6.054451 7.128488 8.306210 2.443703 3.066809 3.928921 3.319570 1.758862 0.000000 2.784033 5.602563 6.522946 4.642341 5.072987 5.851338 4.304788 4.569512 4.609900 2.745196 4.228714 5.938786 5.189352 5.379086 3.408342 2.132906 3.850479 3.954747 2.168577 1.079152 3.406089 3.629199 3.868440 3.585496 4.161313 4.624664 2.553084 4.035517 4.801542 6.605603 6.681514 6.044238 4.694498 6.293844 4.996881 0.000000 5.605294 2.842597 7.170720 7.026550 5.288190 6.941750 6.258725 4.540777 5.190561 2.538025 3.954321 5.570815 5.550153 4.822877 3.426137 3.851711 2.148329 4.752212 2.147133 3.390914 1.081031 5.611561 5.021679 5.724781 4.091815 5.751528 3.961378 4.684529 6.008297 5.556564 6.625003 6.427006 5.864008 5.443213 3.780687 4.301565 0.000000 3.646586 6.697442 8.968043 7.200130 5.740399 5.161932 4.902035 5.072579 2.553601 5.638261 3.368988 4.698960 4.528425 3.995509 4.581928 3.861273 5.379780 2.159204 4.924630 4.051959 5.541612 1.081446 3.397593 2.159579 3.812418 4.670065 5.650803 6.819811 7.455107 5.733512 4.831225 5.387435 3.640156 4.517283 4.413473 3.949346 6.404269 0.000000 5.081832 7.848868 6.983820 5.310264 4.013999 3.138667 2.622245 6.829871 4.476376 5.028002 3.872903 6.793475 6.659775 5.763970 5.926927 4.950263 6.348715 3.382490 4.939544 4.370380 5.936818 2.142623 2.163831 1.083519 3.386305 2.728466 4.551779 5.331853 5.646120 7.714425 7.104086 7.613653 5.873799 6.181536 5.823233 3.881131 6.600113 2.510309 0.000000 6.437882 5.540428 6.427585 6.418187 2.449785 3.500127 3.888242 6.305367 4.370882 3.522062 2.061866 6.067726 6.531200 4.630637 5.230688 5.110308 4.646079 3.247189 3.710923 4.410988 3.874461 3.816414 2.151563 3.391124 1.084027 2.737918 4.158156 4.496368 5.481621 6.476449 6.746437 7.614360 6.401732 4.752614 4.038660 4.800723 3.849108 4.895266 4.298118 0.000000 5.061491 6.608788 4.497084 3.012123 4.639651 6.005886 4.116550 6.432027 6.613684 2.079248 5.524147 7.926825 7.299561 7.202229 5.138375 4.169275 5.008538 5.727099 2.709475 2.837964 3.988491 5.468562 4.630655 4.916724 4.968643 4.694551 1.097964 2.153760 2.830129 8.428611 8.780693 8.161560 6.964719 8.017432 6.570047 2.394805 4.413376 6.014520 5.081232 5.173780 0.000000 4.940813 6.609931 4.472038 3.034199 3.187921 4.288110 2.491519 6.355080 5.591193 2.081667 4.283032 7.318375 6.926929 6.360722 5.057740 4.062305 4.986362 4.492940 2.679696 2.728948 4.001580 4.087935 2.933484 3.293994 3.524628 2.981582 1.096438 2.139560 2.822804 7.939758 8.065745 7.901724 6.476921 7.041219 5.843686 2.234895 4.467459 4.764857 3.474263 3.863433 1.773101 0.000000 7.381020 7.127438 2.852246 3.691162 3.203922 5.235854 3.986095 7.977520 7.528853 2.443738 5.642270 8.960428 8.798454 7.879358 6.621530 6.075158 5.928449 6.422088 3.804583 4.747081 4.568922 6.455260 4.607456 5.612540 4.666614 4.091474 2.212750 1.082573 2.082339 9.303545 9.853594 9.786521 8.633671 8.399682 7.068053 4.707919 4.330728 7.337094 5.953830 4.253763 2.957555 2.920863 0.000000 C18H14Cl4F3NO3 C1 1 C1 1 C1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 477.0047095999997 AuxInfo=1/0/N:12;13;14;15;16;17;18;19;20;21;22;23;24;25;26;27;28;29;1;2;3;4;5;6;7;11;8;9;10;30;31;32;33;34;35;36;37;38;39;40;41;42;43/rA:43nCl0Cl0Cl0Cl0F0F0F0O0O0O0N0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:-2.4409,-.8589,2.9043;-3.764,-1.9161,-2.288;6.0564,-1.3417,-.8558;4.7074,-1.1539,1.7474;2.8627,1.6325,-1.5529;2.8576,3.5593,-.5443;3.141,1.741,.6078;-4.3431,-1.2891,.5326;-3.0594,1.9837,.2261;1.0322,-1.5674,-.8087;-1.2111,1.7807,-1.1471;-5.1701,.9424,-.2469;-4.9566,-.0329,.9092;-3.8963,1.5139,-.8576;-3.0091,-1.3257,.2647;-2.0095,-1.1527,1.2279;-2.5699,-1.6487,-1.034;-1.7301,2.0421,.0447;-.2621,-1.5072,-.3862;-.6511,-1.2253,.921;-1.2303,-1.74,-1.3653;-.9585,2.3777,1.1752;.9704,2.1594,-.2301;.4085,2.4404,1.026;.1195,1.8341,-1.2765;2.448,2.2701,-.436;2.0661,-1.4052,.1613;3.3694,-1.4406,-.5763;4.5509,-1.3313,.017;-5.7417,.4589,-1.0442;-5.7846,1.7603,.1471;-5.9211,-.3327,1.319;-4.3799,.4448,1.7005;-4.1167,2.357,-1.5179;-3.3508,.7757,-1.4381;.0661,-1.0624,1.7107;-.9233,-1.9665,-2.3767;-1.4486,2.5617,2.1215;1.0454,2.6899,1.8664;.5167,1.6011,-2.2578;2.012,-2.2061,.9104;1.9543,-.4483,.6849;3.325,-1.5363,-1.6537; 0.2186250 0.0786318 0.0724304 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= 754 RedAO= T EigKep= 1.19D-06 NBF= 754 NBsUse= 751 1.00D-06 EigRej= 7.39D-07 NBFU= 751 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= 761 761 761 761 761 MxSgAt= 43 MxSgA2= 43. 1 Closed 1 1 1 -3115.56362142701 -3115.56362142745 -0.000000000436 -3115.56362143 2 3.106576321811e+03 -1.482262169652e+04 4.870039898311e+03 Using DIIS extrapolation, IDIIS= 1040. NGot= 1415577600 LenX= 1414336960 LenY= 1413723088 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. PT1492.600S Tue Sep 3 09:42:06 2024 -101.58070 -101.57721 -101.57138 -101.56592 -24.72781 -24.72547 -24.72100 -19.18184 -19.18011 -19.16045 -14.33528 -10.44494 -10.29955 -10.29539 -10.26509 -10.26209 -10.26106 -10.26035 -10.25742 -10.24307 -10.23943 -10.23738 -10.22500 -10.21991 -10.21101 -10.20822 -10.20502 -10.20077 -10.19109 -9.49516 -9.49155 -9.48619 -9.48063 -7.25997 -7.25659 -7.25085 -7.24984 -7.24956 -7.24607 -7.24588 -7.24537 -7.24101 -7.24054 -7.23553 -7.23483 -1.33029 -1.24508 -1.23913 -1.10493 -1.09951 -1.07794 -0.97261 -0.93268 -0.91752 -0.89042 -0.85341 -0.85209 -0.84557 -0.82528 -0.80951 -0.79699 -0.76433 -0.75795 -0.73208 -0.71596 -0.70017 -0.67489 -0.66002 -0.63574 -0.62612 -0.61395 -0.60878 -0.60397 -0.59454 -0.58128 -0.56966 -0.55897 -0.54318 -0.53803 -0.52841 -0.51761 -0.51003 -0.49615 -0.48994 -0.48684 -0.48111 -0.48090 -0.47808 -0.47569 -0.46803 -0.45976 -0.45560 -0.45050 -0.44738 -0.44586 -0.44498 -0.43424 -0.42792 -0.42685 -0.41890 -0.41438 -0.40971 -0.40759 -0.40129 -0.39501 -0.38205 -0.38054 -0.37324 -0.36599 -0.36084 -0.35339 -0.35070 -0.34277 -0.33402 -0.32799 -0.32650 -0.32102 -0.31479 -0.30427 -0.29654 -0.26967 -0.26792 -0.26441 -0.24153 -0.05993 -0.04916 -0.04576 -0.03209 -0.02387 -0.02269 -0.01910 -0.00671 0.00240 0.00516 0.01000 0.01082 0.01616 0.01797 0.02368 0.02918 0.03086 0.03534 0.03811 0.04277 0.04724 0.05176 0.05316 0.05499 0.06468 0.06599 0.07023 0.07294 0.07512 0.07682 0.07888 0.08440 0.08511 0.08966 0.09362 0.09568 0.09953 0.10100 0.10197 0.10328 0.10698 0.10752 0.11032 0.11527 0.11921 0.11988 0.12111 0.12476 0.12707 0.12752 0.13007 0.13123 0.13509 0.13874 0.13908 0.14224 0.14628 0.14864 0.14944 0.15532 0.15644 0.15978 0.16265 0.16453 0.16718 0.17002 0.17167 0.17296 0.17425 0.17613 0.17802 0.18222 0.18470 0.18785 0.19030 0.19278 0.19405 0.19721 0.19967 0.20198 0.20729 0.20883 0.20927 0.21132 0.21357 0.21670 0.21809 0.22302 0.22508 0.22823 0.22939 0.23206 0.23622 0.23728 0.23920 0.24361 0.24443 0.24586 0.24746 0.25214 0.25444 0.25688 0.25782 0.26005 0.26190 0.26383 0.26878 0.27031 0.27561 0.27846 0.28198 0.28613 0.28895 0.29321 0.29691 0.29944 0.30139 0.30405 0.30775 0.31192 0.31246 0.31394 0.32009 0.32579 0.32998 0.33199 0.33390 0.33567 0.33815 0.34101 0.34689 0.34922 0.35112 0.35551 0.35818 0.36337 0.36634 0.36916 0.37084 0.37460 0.37624 0.38055 0.38260 0.39093 0.39573 0.40179 0.40798 0.41198 0.41499 0.41636 0.42842 0.43178 0.43569 0.44096 0.44149 0.44523 0.45182 0.45410 0.45865 0.46637 0.47721 0.48148 0.48980 0.49009 0.49262 0.49745 0.50198 0.50518 0.51149 0.51498 0.52050 0.52345 0.52451 0.52824 0.53534 0.53833 0.54298 0.54673 0.55071 0.55429 0.56088 0.56575 0.57943 0.58064 0.59105 0.59648 0.59933 0.60052 0.60751 0.60872 0.61997 0.62238 0.62650 0.62861 0.63209 0.63950 0.64237 0.64425 0.65215 0.65354 0.66240 0.66707 0.66986 0.67348 0.67731 0.68029 0.69004 0.69831 0.70206 0.70562 0.70851 0.70986 0.71380 0.71910 0.72458 0.72551 0.73195 0.73570 0.74029 0.74277 0.74860 0.75742 0.76132 0.76396 0.76661 0.77114 0.78219 0.78651 0.78711 0.79465 0.80813 0.81250 0.81895 0.82432 0.84090 0.84430 0.84900 0.85541 0.86087 0.87218 0.87685 0.87970 0.88290 0.89049 0.89815 0.90061 0.90509 0.90965 0.91383 0.91775 0.92706 0.92860 0.93345 0.93592 0.94280 0.94972 0.95069 0.95486 0.96004 0.97032 0.97409 0.97853 0.98657 0.99033 0.99685 1.00447 1.00785 1.00924 1.01197 1.01664 1.02247 1.03659 1.04045 1.04655 1.05657 1.06428 1.07148 1.08110 1.08425 1.09199 1.10183 1.10487 1.12574 1.12771 1.12958 1.13871 1.14454 1.15280 1.15636 1.17404 1.18072 1.18980 1.19779 1.19902 1.20487 1.21691 1.21978 1.22458 1.23181 1.25300 1.26293 1.27249 1.28556 1.29318 1.29950 1.31613 1.32070 1.33024 1.33376 1.34337 1.34740 1.36533 1.37167 1.38054 1.39276 1.39862 1.41177 1.42389 1.43059 1.43501 1.44348 1.46351 1.47405 1.47680 1.48308 1.48962 1.49362 1.50354 1.51202 1.51765 1.52919 1.53274 1.53614 1.55043 1.55189 1.56335 1.56950 1.57044 1.57897 1.58844 1.59317 1.59811 1.60231 1.60754 1.61262 1.61467 1.62272 1.62780 1.64166 1.64268 1.64825 1.65965 1.66684 1.67843 1.68680 1.68953 1.69788 1.70019 1.70703 1.71436 1.72211 1.72545 1.73967 1.75262 1.76360 1.76511 1.76958 1.77890 1.78814 1.79221 1.80276 1.80946 1.81433 1.82712 1.83464 1.84467 1.85180 1.87137 1.87297 1.88010 1.89304 1.90770 1.91095 1.92535 1.93095 1.94374 1.95831 1.96421 1.97426 1.98075 1.99094 2.00003 2.00793 2.00966 2.01935 2.02744 2.03715 2.04495 2.05312 2.06939 2.08237 2.09191 2.10227 2.11331 2.12443 2.13056 2.14567 2.15065 2.15586 2.17103 2.17723 2.19707 2.20859 2.21354 2.22899 2.24833 2.25016 2.26170 2.26532 2.26737 2.28649 2.29634 2.29969 2.30881 2.31648 2.32886 2.33208 2.33878 2.35673 2.36629 2.37331 2.37460 2.39927 2.42032 2.46147 2.46861 2.47066 2.48092 2.48924 2.50342 2.52283 2.52735 2.53891 2.54312 2.55831 2.56250 2.56664 2.57721 2.58438 2.60961 2.61917 2.62194 2.63862 2.64408 2.66455 2.67567 2.69371 2.71038 2.71493 2.72282 2.73260 2.74353 2.76418 2.77105 2.77519 2.78285 2.78883 2.79863 2.80092 2.80860 2.81930 2.82324 2.83804 2.84695 2.85327 2.86071 2.86851 2.88626 2.90132 2.90799 2.91476 2.91842 2.93725 2.94155 2.95432 2.96896 2.97358 2.97927 2.98247 3.00807 3.04841 3.05692 3.07050 3.08315 3.09428 3.11200 3.11779 3.14651 3.15258 3.16456 3.17050 3.17728 3.19408 3.20712 3.21643 3.23627 3.24513 3.24668 3.26244 3.29753 3.32509 3.36095 3.36798 3.37804 3.40558 3.42124 3.45701 3.48676 3.49244 3.53319 3.54316 3.62306 3.70126 3.70749 3.71723 3.73531 3.74182 3.74893 3.76668 3.76946 3.77448 3.78078 3.78726 3.80004 3.81728 3.84337 3.86921 3.87509 3.90683 3.92853 3.96073 3.96679 4.00088 4.02330 4.06099 4.06280 4.08521 4.09987 4.10792 4.12160 4.15952 4.18455 4.19827 4.19898 4.21755 4.25685 4.32974 4.44169 4.50278 4.71138 4.82597 4.91620 4.94132 5.09670 5.13150 5.18685 5.21441 5.37689 5.42264 5.43569 5.74053 5.82843 5.84592 6.35380 6.36783 6.39540 6.40148 6.42616 6.46046 6.51375 6.72598 6.77047 9.76010 9.78871 9.81801 9.86454 23.49444 23.53271 23.55767 23.72168 23.83689 23.86482 23.87459 23.88881 23.91410 23.92259 23.95711 23.96103 23.99735 24.06068 24.06268 24.13041 24.13224 24.19323 25.84779 25.90451 25.91642 25.97736 26.03127 26.07556 26.25716 26.29109 26.51525 26.55311 26.81900 26.91687 35.67751 49.95603 49.97564 49.99441 66.75738 66.77844 66.83397 215.75087 215.78276 215.81796 215.87380 1-A. Mulliken charges: 1 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 Cl Cl Cl Cl F F F O O O N C C C C C C C C C C C C C C C C C C H H H H H H H H H H H H H H -0.259144 0.275078 0.600100 0.324086 -0.060257 -0.022674 -0.030247 -0.042184 0.044918 0.045462 0.091110 -0.422764 -0.210705 -0.154848 -1.361139 0.398997 1.242177 0.019046 -0.551393 0.187118 -0.269789 -0.316655 -0.293655 -0.341374 -0.277684 0.760471 -0.852314 -0.157927 -0.751609 0.190557 0.159469 0.162798 0.175162 0.168325 0.212705 0.143298 0.152683 0.144449 0.155140 0.154192 0.197758 0.191668 0.179598 -0.00000 -2.3129 1.4177 0.8441 2.8411 -200.4343 -201.0060 -191.1723 -13.2293 0.0496 3.9880 -2.8968 -3.4684 6.3652 -13.2293 0.0496 3.9880 -86.7168 22.4687 -2.1665 15.7095 49.8873 -8.8742 25.0821 18.5522 7.2222 5.4651 -12855.7579 -3616.6146 -2162.1173 -112.4342 -109.7754 26.2538 7.0481 -16.8363 22.4680 -2903.6736 -2508.5687 -938.4365 10.9904 14.9598 11.9181 (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A) (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(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-DEPAZ23 ALCAMI 2024-09-03T00:00:00.000 0 Wavefunction Pyridalyl CONF66 gas 0 1 Version=EM64L-G16RevC.01 State=1-A HF=-3115.5636214 RMSD=5.687e-10 Dipole=-1.1051239,0.0050151,-0.1676451 Quadrupole=7.2128796,-10.1955546,2.982675,4.1460647,0.4263474,4.750537 PG=C01 [X(C18H14Cl4F3N1O3)] 0 -2.0364483006 1.5693723265 -3.0008806601 0 -1.7486049343 4.1569023156 1.8002542656 0 5.8072776955 -2.140221171 0.3591322502 0 4.1918253346 -2.0230462855 -2.0919910478 0 1.6615497737 -2.58227056 1.825118067 0 0.4508099239 -4.3164706567 1.3185517478 0 1.4982771178 -3.2390876229 -0.2485024396 0 -3.0029360376 3.444293389 -0.7694704213 0 -3.6831856145 0.1517904369 0.302748619 0 1.7841065774 0.878061398 0.3571313157 0 -1.837969776 -0.4706277636 1.5480489597 0 -4.7811122305 2.2724942923 0.5481704969 0 -4.2516293223 2.7128742986 -0.8153026966 0 -3.9492146856 1.2092516144 1.254969029 0 -1.8426223923 2.7689475693 -0.5449258243 0 -1.2621574458 1.8802683361 -1.4560442117 0 -1.1042661859 3.026858601 0.626515805 0 -2.5919907547 -0.6134996998 0.4667748888 0 0.6197761718 1.4824514246 -0.0123089181 0 -0.0561057287 1.2274588386 -1.2029510286 0 0.1002615533 2.4042886723 0.8989312267 0 -2.3138496516 -1.5352538904 -0.5622609431 0 -0.3888307191 -2.1849883305 0.7087668912 0 -1.1988267997 -2.3315082434 -0.4291978339 0 -0.7509844478 -1.2425872173 1.6603712568 0 0.799810886 -3.07147629 0.906421461 0 2.3976796652 -0.0227117535 -0.5638976999 0 3.6045185969 -0.591972426 0.1168444576 0 4.4266870618 -1.4621409037 -0.4547771271 0 -4.8652107344 3.1359985965 1.2141343599 0 -5.7941851252 1.8898209988 0.3783763126 0 -4.9459540231 3.4215203969 -1.266855505 0 -4.1591621022 1.8523626239 -1.4769574811 0 -4.4887608928 0.7841772725 2.1055921424 0 -3.007564995 1.6027522792 1.6264381337 0 0.3240218295 0.5399956792 -1.9428610658 0 0.632846936 2.604893644 1.8180283128 0 -2.9639859267 -1.5856000188 -1.4249968635 0 -0.9399330838 -3.0526123992 -1.1953547056 0 -0.1452075566 -1.0936181438 2.546913038 0 2.6743996142 0.5071184818 -1.4848927692 0 1.702874143 -0.8263107078 -0.8352841203 0 3.786364168 -0.2846052086 1.1388143842 Gaussian 16 3-Sep-2024 Gaussian 16 3-Jul-2019 EM64L-G16RevC.01 123 C1[X(C18H14Cl4F3NO3)] RB3LYP TD-FC 6-311+G(d,p) SP #P B3LYP 6-311+G(d,p) EmpiricalDispersion=gd3 geom=checkguess=read td=(singlets,nstates=10) 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 477.0047095999997 AuxInfo=1/0/N:12;13;14;15;16;17;18;19;20;21;22;23;24;25;26;27;28;29;1;2;3;4;5;6;7;11;8;9;10;30;31;32;33;34;35;36;37;38;39;40;41;42;43/rA:43nCl0Cl0Cl0Cl0F0F0F0O0O0O0N0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:-2.0364,1.5694,-3.0009;-1.7486,4.1569,1.8003;5.8073,-2.1402,.3591;4.1918,-2.023,-2.092;1.6616,-2.5823,1.8251;.4508,-4.3165,1.3186;1.4983,-3.2391,-.2485;-3.0029,3.4443,-.7695;-3.6832,.1518,.3027;1.7841,.8781,.3571;-1.838,-.4706,1.548;-4.7811,2.2725,.5482;-4.2516,2.7129,-.8153;-3.9492,1.2093,1.255;-1.8426,2.7689,-.5449;-1.2622,1.8803,-1.456;-1.1043,3.0269,.6265;-2.592,-.6135,.4668;.6198,1.4825,-.0123;-.0561,1.2275,-1.203;.1003,2.4043,.8989;-2.3138,-1.5353,-.5623;-.3888,-2.185,.7088;-1.1988,-2.3315,-.4292;-.751,-1.2426,1.6604;.7998,-3.0715,.9064;2.3977,-.0227,-.5639;3.6045,-.592,.1168;4.4267,-1.4621,-.4548;-4.8652,3.136,1.2141;-5.7942,1.8898,.3784;-4.946,3.4215,-1.2669;-4.1592,1.8524,-1.477;-4.4888,.7842,2.1056;-3.0076,1.6028,1.6264;.324,.54,-1.9429;.6328,2.6049,1.818;-2.964,-1.5856,-1.425;-.9399,-3.0526,-1.1954;-.1452,-1.0936,2.5469;2.6744,.5071,-1.4849;1.7029,-.8263,-.8353;3.7864,-.2846,1.1388; oldchk=opt-b3lyp-pople.chk #P B3LYP 6-311+G(d,p) EmpiricalDispersion=gd3 geom=check guess=read td 1/29=2,38=1,172=1/1 2/12=2,40=1/2 3/5=4,6=6,7=111,11=9,14=-4,25=1,30=1,74=-5,116=-2,124=31/1,2,3,8 4/5=1/1 5/5=2,38=6/2 8/6=1,10=2,108=10/1 9/41=10,42=1,48=1,70=2/14 6/7=2,8=2,9=2,10=2/1 99/5=1,9=1/99 Electronic spectrum Pyridalyl CONF66 gas Redundant internal coordinates found in file. (old form). 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 35 35 35 35 19 19 19 16 16 16 14 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 1 1 1 1 1 1 1 1 1 1 1 1 1 1 34.9688527 34.9688527 34.9688527 34.9688527 18.9984033 18.9984033 18.9984033 15.9949146 15.9949146 15.9949146 14.0030740 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 3 3 3 3 1 1 1 0 0 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 14.2400000 14.2400000 14.2400000 14.2400000 6.7500000 6.7500000 6.7500000 5.6000000 5.6000000 5.6000000 4.5500000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 (Enter /usr/local/gaussian/gaussian16/g16/l101.exe) 6-311+G(d,p) (5D, 7F) 0.10000e-02 0.10000e-05 F 783 A 754 A 754 1224 783 124 124 3730.5081202713 43 43 43 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 -0.0662653001 0.000000 5.461599 0.000000 9.304558 9.940923 0.000000 7.247272 9.414353 2.937928 0.000000 7.362173 7.552895 4.419455 4.696676 0.000000 7.712788 8.767412 5.860742 5.557589 2.174845 0.000000 6.571998 8.333086 4.488231 3.483161 2.181277 2.171083 0.000000 3.070606 2.946972 10.491921 9.132659 8.050391 8.747437 8.074646 0.000000 3.954143 4.693192 9.763472 8.513547 6.193456 6.171477 6.216871 3.528876 0.000000 5.133303 5.031248 5.029507 4.495746 3.760838 5.448410 4.171260 5.547121 5.515588 0.000000 4.989364 4.635259 7.915231 7.212373 4.096638 4.481260 4.692815 4.696238 2.311493 4.044340 0.000000 4.541291 3.783491 11.472654 10.292508 8.167449 8.448725 8.393030 2.504237 2.400637 6.714390 4.145668 0.000000 3.315324 3.897626 11.230024 9.764774 8.365170 8.722268 8.295091 1.447864 2.851722 6.416483 4.641753 1.527529 0.000000 4.679810 3.718691 10.354257 9.376909 6.795689 7.063842 7.191892 3.160571 1.447660 5.812639 2.713899 1.523845 2.576502 0.000000 2.740121 2.726743 9.134453 7.859464 6.821427 7.676948 6.880840 1.361191 3.309945 4.188355 3.856866 3.174279 2.424781 3.179623 0.000000 1.755763 4.002896 8.332834 6.736930 6.263253 7.002301 5.940199 2.438825 3.455773 3.683985 3.857829 4.068631 3.168710 3.875582 1.398866 0.000000 4.018860 1.752094 8.633635 7.806434 6.367787 7.538014 6.841123 2.393319 3.875780 3.610069 3.690522 3.754251 3.476107 3.434004 1.408532 2.382573 0.000000 4.134996 5.024560 8.537574 7.386086 4.879935 4.867870 4.912802 4.261791 1.342863 4.624609 1.325939 3.623236 3.932288 2.405354 3.609161 3.418270 3.935867 0.000000 3.999331 4.005908 6.338130 5.419698 4.580764 5.952078 4.808376 4.188814 4.515019 1.362879 3.505674 5.487067 5.088156 4.749348 2.828809 2.405058 2.401169 3.864968 0.000000 2.696519 4.523874 6.939787 5.422278 5.160773 6.111472 4.824636 3.712960 4.071843 2.437687 3.691414 5.146281 4.467566 4.604129 2.449658 1.394553 2.771900 3.550750 1.392647 0.000000 4.524505 2.702285 7.315325 6.729621 5.306714 6.742965 5.926107 3.673555 4.443383 2.336290 3.527498 4.895734 4.687513 4.237114 2.447958 2.770684 1.383001 4.067189 1.396438 2.413978 0.000000 3.957590 6.188830 8.195588 6.700882 4.753906 4.349249 4.187339 5.031269 2.338684 4.843823 2.411078 4.671123 4.676068 3.675467 4.329954 3.683843 4.867150 1.409222 4.244426 3.624979 4.845927 0.000000 5.529137 6.577226 6.206127 5.371488 2.368150 2.370665 2.364036 6.380246 4.059330 3.771946 2.396546 6.259958 6.421297 4.949296 5.312884 4.687795 5.261365 2.716993 3.871350 3.925579 4.619181 2.396532 0.000000 4.746792 6.882745 7.052911 5.649704 3.650558 3.117051 2.851442 6.060568 3.588113 4.451690 2.789424 5.914800 5.908847 4.789367 5.142229 4.335607 5.462194 2.386467 4.245869 3.817165 5.087173 1.376591 1.404466 0.000000 5.593461 5.492659 6.746093 6.254655 2.764456 3.318118 3.562161 5.739535 3.519266 3.552784 1.337937 5.462117 5.833451 4.050252 4.706105 4.441348 4.407021 2.282483 3.478891 3.844814 3.821533 2.732818 1.387381 2.398460 0.000000 6.696929 7.716399 5.122644 4.647090 1.351266 1.357079 1.360073 7.728179 5.554379 4.107238 3.759519 7.735184 7.870203 6.403074 6.572626 5.861120 6.394806 4.211800 4.649165 4.864452 5.520274 3.769866 1.495927 2.515151 2.513611 0.000000 5.304254 6.344294 4.118396 3.091176 3.577796 5.076444 3.354620 6.420984 6.144790 1.426940 4.754122 7.618380 7.194439 6.716329 5.076799 4.220387 4.793807 5.129145 2.393890 2.827079 3.648058 4.948363 3.749634 4.275926 4.043458 3.742992 0.000000 6.797950 7.351300 2.703317 2.696638 3.264141 5.026118 3.402492 7.793295 7.327918 2.352156 5.628832 8.871867 8.573796 7.848479 6.434677 5.680712 5.960567 6.206419 3.637115 4.295621 4.676436 6.031422 4.339921 5.137730 4.666496 3.825932 1.497975 0.000000 7.579237 8.648297 1.740193 1.746495 3.754810 5.205717 3.431570 8.909064 8.303533 3.622012 6.651341 9.986840 9.637111 8.956299 7.564025 6.673619 7.204981 7.129606 4.833112 5.281017 5.958168 6.741790 5.006551 5.692351 5.597351 4.194884 2.490127 1.326614 0.000000 5.312492 3.331518 11.936144 10.935086 8.698880 9.154795 9.125514 2.738211 3.336661 7.074331 4.720534 1.093718 2.161974 2.133792 3.516399 4.657113 3.808137 4.448012 5.858623 5.710719 5.028983 5.611205 6.971820 6.785023 6.024782 8.409513 8.117169 9.318698 10.500834 0.000000 5.063857 4.850579 12.281513 11.006073 8.813663 8.854488 8.937488 3.394850 2.735469 7.645562 4.753051 1.096169 2.117018 2.153022 4.152132 4.889219 4.832160 4.065523 6.438749 5.988729 5.939710 4.972793 6.777248 6.291988 6.073662 8.268862 8.464769 9.724368 10.788699 1.764779 0.000000 3.860378 4.491213 12.215105 10.668794 9.448011 9.781917 9.323565 2.005799 3.840492 7.375651 5.721195 2.154473 1.090030 3.499603 3.252338 3.997700 4.301067 4.982771 6.025880 5.359907 5.584773 5.656327 7.490220 6.916645 6.922451 8.938454 8.141612 9.546378 10.599812 2.498670 2.402579 0.000000 2.628372 4.675661 10.892285 9.226920 8.028098 8.192754 7.709642 2.090847 2.507160 6.295680 4.464850 2.159740 1.089412 2.814443 2.659919 2.897215 3.890556 3.509216 5.012014 4.159406 4.908376 3.964567 5.940791 5.231268 5.571106 7.383502 6.880535 8.293957 9.260000 3.064017 2.473250 1.767892 0.000000 5.718954 4.356255 10.844844 10.042549 7.016976 7.143907 7.587690 4.189257 2.073429 6.512664 2.985311 2.173964 3.508237 1.093324 4.238704 4.929264 4.321121 2.870010 5.574069 5.548999 5.013972 4.150595 5.251332 5.191948 4.275157 6.653801 7.429691 8.446898 9.543933 2.543123 2.431019 4.305579 3.752908 0.000000 4.728241 2.852871 9.660091 8.877182 6.273318 6.862387 6.874695 3.021866 2.076995 5.009634 2.381807 2.180983 2.956715 1.086065 2.726156 3.553190 2.578850 2.535605 3.982156 4.105776 3.290944 3.888281 4.695409 4.793285 3.631703 6.071486 6.054451 7.128488 8.306210 2.443703 3.066809 3.928921 3.319570 1.758862 0.000000 2.784033 5.602563 6.522946 4.642341 5.072987 5.851338 4.304788 4.569512 4.609900 2.745196 4.228714 5.938786 5.189352 5.379086 3.408342 2.132906 3.850479 3.954747 2.168577 1.079152 3.406089 3.629199 3.868440 3.585496 4.161313 4.624664 2.553084 4.035517 4.801542 6.605603 6.681514 6.044238 4.694498 6.293844 4.996881 0.000000 5.605294 2.842597 7.170720 7.026550 5.288190 6.941750 6.258725 4.540777 5.190561 2.538025 3.954321 5.570815 5.550153 4.822877 3.426137 3.851711 2.148329 4.752212 2.147133 3.390914 1.081031 5.611561 5.021679 5.724781 4.091815 5.751528 3.961378 4.684529 6.008297 5.556564 6.625003 6.427006 5.864008 5.443213 3.780687 4.301565 0.000000 3.646586 6.697442 8.968043 7.200130 5.740399 5.161932 4.902035 5.072579 2.553601 5.638261 3.368988 4.698960 4.528425 3.995509 4.581928 3.861273 5.379780 2.159204 4.924630 4.051959 5.541612 1.081446 3.397593 2.159579 3.812418 4.670065 5.650803 6.819811 7.455107 5.733512 4.831225 5.387435 3.640156 4.517283 4.413473 3.949346 6.404269 0.000000 5.081832 7.848868 6.983820 5.310264 4.013999 3.138667 2.622245 6.829871 4.476376 5.028002 3.872903 6.793475 6.659775 5.763970 5.926927 4.950263 6.348715 3.382490 4.939544 4.370380 5.936818 2.142623 2.163831 1.083519 3.386305 2.728466 4.551779 5.331853 5.646120 7.714425 7.104086 7.613653 5.873799 6.181536 5.823233 3.881131 6.600113 2.510309 0.000000 6.437882 5.540428 6.427585 6.418187 2.449785 3.500127 3.888242 6.305367 4.370882 3.522062 2.061866 6.067726 6.531200 4.630637 5.230688 5.110308 4.646079 3.247189 3.710923 4.410988 3.874461 3.816414 2.151563 3.391124 1.084027 2.737918 4.158156 4.496368 5.481621 6.476449 6.746437 7.614360 6.401732 4.752614 4.038660 4.800723 3.849108 4.895266 4.298118 0.000000 5.061491 6.608788 4.497084 3.012123 4.639651 6.005886 4.116550 6.432027 6.613684 2.079248 5.524147 7.926825 7.299561 7.202229 5.138375 4.169275 5.008538 5.727099 2.709475 2.837964 3.988491 5.468562 4.630655 4.916724 4.968643 4.694551 1.097964 2.153760 2.830129 8.428611 8.780693 8.161560 6.964719 8.017432 6.570047 2.394805 4.413376 6.014520 5.081232 5.173780 0.000000 4.940813 6.609931 4.472038 3.034199 3.187921 4.288110 2.491519 6.355080 5.591193 2.081667 4.283032 7.318375 6.926929 6.360722 5.057740 4.062305 4.986362 4.492940 2.679696 2.728948 4.001580 4.087935 2.933484 3.293994 3.524628 2.981582 1.096438 2.139560 2.822804 7.939758 8.065745 7.901724 6.476921 7.041219 5.843686 2.234895 4.467459 4.764857 3.474263 3.863433 1.773101 0.000000 7.381020 7.127438 2.852246 3.691162 3.203922 5.235854 3.986095 7.977520 7.528853 2.443738 5.642270 8.960428 8.798454 7.879358 6.621530 6.075158 5.928449 6.422088 3.804583 4.747081 4.568922 6.455260 4.607456 5.612540 4.666614 4.091474 2.212750 1.082573 2.082339 9.303545 9.853594 9.786521 8.633671 8.399682 7.068053 4.707919 4.330728 7.337094 5.953830 4.253763 2.957555 2.920863 0.000000 C18H14Cl4F3NO3 C1 1 C1 1 C1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 477.0047095999997 AuxInfo=1/0/N:12;13;14;15;16;17;18;19;20;21;22;23;24;25;26;27;28;29;1;2;3;4;5;6;7;11;8;9;10;30;31;32;33;34;35;36;37;38;39;40;41;42;43/rA:43nCl0Cl0Cl0Cl0F0F0F0O0O0O0N0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:-2.4409,-.8589,2.9043;-3.764,-1.9161,-2.288;6.0564,-1.3417,-.8558;4.7074,-1.1539,1.7474;2.8627,1.6325,-1.5529;2.8576,3.5593,-.5443;3.141,1.741,.6078;-4.3431,-1.2891,.5326;-3.0594,1.9837,.2261;1.0322,-1.5674,-.8087;-1.2111,1.7807,-1.1471;-5.1701,.9424,-.2469;-4.9566,-.0329,.9092;-3.8963,1.5139,-.8576;-3.0091,-1.3257,.2647;-2.0095,-1.1527,1.2279;-2.5699,-1.6487,-1.034;-1.7301,2.0421,.0447;-.2621,-1.5072,-.3862;-.6511,-1.2253,.921;-1.2303,-1.74,-1.3653;-.9585,2.3777,1.1752;.9704,2.1594,-.2301;.4085,2.4404,1.026;.1195,1.8341,-1.2765;2.448,2.2701,-.436;2.0661,-1.4052,.1613;3.3694,-1.4406,-.5763;4.5509,-1.3313,.017;-5.7417,.4589,-1.0442;-5.7846,1.7603,.1471;-5.9211,-.3327,1.319;-4.3799,.4448,1.7005;-4.1167,2.357,-1.5179;-3.3508,.7757,-1.4381;.0661,-1.0624,1.7107;-.9233,-1.9665,-2.3767;-1.4486,2.5617,2.1215;1.0454,2.6899,1.8664;.5167,1.6011,-2.2578;2.012,-2.2061,.9104;1.9543,-.4483,.6849;3.325,-1.5363,-1.6537; 0.2186250 0.0786318 0.0724304 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= 754 RedAO= T EigKep= 1.19D-06 NBF= 754 NBsUse= 751 1.00D-06 EigRej= 7.39D-07 NBFU= 751 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= 761 761 761 761 761 MxSgAt= 43 MxSgA2= 43. 1 Closed 1 1 1 -3115.56362142702 -3115.56362142671 0.000000000308 -3115.56362143 2 3.106576321811e+03 -1.482262169652e+04 4.870039898310e+03 Using DIIS extrapolation, IDIIS= 1040. NGot= 1415577600 LenX= 1414336960 LenY= 1413723088 Requested convergence on RMS density matrix=1.00D-08 within 128 cycles. Requested convergence on MAX density matrix=1.00D-06. Requested convergence on energy=1.00D-06. No special actions if energy rises. Fock matrices will be formed incrementally for 20 cycles. 1 Singlet-A 4.2737 290.11 0.0021 0.000 124 125 0.70555 -3115.40656427 2 Singlet-A 4.5482 272.60 0.0206 0.000 124 126 0.67047 3 Singlet-A 4.6410 267.15 0.0199 0.000 124 126 0.15120 124 127 0.65668 4 Singlet-A 4.9294 251.52 0.0106 0.000 117 126 0.10201 121 125 -0.16254 122 125 0.12588 123 125 0.65212 5 Singlet-A 4.9714 249.40 0.0174 0.000 117 126 0.11519 122 125 0.64238 123 125 -0.12218 6 Singlet-A 5.0528 245.38 0.0061 0.000 124 128 -0.21482 124 129 0.40553 124 131 0.50420 7 Singlet-A 5.1183 242.24 0.0149 0.000 123 126 0.10452 124 127 -0.10819 124 128 0.61653 124 129 0.21893 124 131 0.12972 8 Singlet-A 5.1740 239.63 0.0037 0.000 120 125 0.62421 120 127 -0.12226 121 125 -0.18682 122 125 0.11874 123 125 -0.13812 9 Singlet-A 5.1908 238.85 0.0073 0.000 120 125 0.21333 121 125 0.64896 123 125 0.15233 10 Singlet-A 5.2580 235.80 0.0193 0.000 121 126 -0.13412 122 127 -0.26270 123 126 0.58244 123 127 0.12542 PT59007.600S Tue Sep 3 11:45:27 2024 -101.58070 -101.57721 -101.57138 -101.56592 -24.72781 -24.72547 -24.72100 -19.18184 -19.18011 -19.16045 -14.33528 -10.44494 -10.29955 -10.29539 -10.26509 -10.26209 -10.26106 -10.26035 -10.25742 -10.24307 -10.23943 -10.23738 -10.22500 -10.21991 -10.21101 -10.20822 -10.20502 -10.20077 -10.19109 -9.49516 -9.49155 -9.48619 -9.48063 -7.25997 -7.25659 -7.25085 -7.24984 -7.24956 -7.24607 -7.24588 -7.24537 -7.24101 -7.24054 -7.23553 -7.23483 -1.33029 -1.24508 -1.23913 -1.10493 -1.09951 -1.07794 -0.97261 -0.93268 -0.91752 -0.89042 -0.85341 -0.85209 -0.84557 -0.82528 -0.80951 -0.79699 -0.76433 -0.75795 -0.73208 -0.71596 -0.70017 -0.67489 -0.66002 -0.63574 -0.62612 -0.61395 -0.60878 -0.60397 -0.59454 -0.58128 -0.56966 -0.55897 -0.54318 -0.53803 -0.52841 -0.51761 -0.51003 -0.49615 -0.48994 -0.48684 -0.48111 -0.48090 -0.47808 -0.47569 -0.46803 -0.45976 -0.45560 -0.45050 -0.44738 -0.44586 -0.44498 -0.43424 -0.42792 -0.42685 -0.41890 -0.41438 -0.40971 -0.40759 -0.40129 -0.39501 -0.38205 -0.38054 -0.37324 -0.36599 -0.36084 -0.35339 -0.35070 -0.34277 -0.33402 -0.32799 -0.32650 -0.32102 -0.31479 -0.30427 -0.29654 -0.26967 -0.26792 -0.26441 -0.24153 -0.05993 -0.04916 -0.04576 -0.03209 -0.02387 -0.02269 -0.01910 -0.00671 0.00240 0.00516 0.01000 0.01082 0.01616 0.01797 0.02368 0.02918 0.03086 0.03534 0.03811 0.04277 0.04724 0.05176 0.05316 0.05499 0.06468 0.06599 0.07023 0.07294 0.07512 0.07682 0.07888 0.08440 0.08511 0.08966 0.09362 0.09568 0.09953 0.10100 0.10197 0.10328 0.10698 0.10752 0.11032 0.11527 0.11921 0.11988 0.12111 0.12476 0.12707 0.12752 0.13007 0.13123 0.13509 0.13874 0.13908 0.14224 0.14628 0.14864 0.14944 0.15532 0.15644 0.15978 0.16265 0.16453 0.16718 0.17002 0.17167 0.17296 0.17425 0.17613 0.17802 0.18222 0.18470 0.18785 0.19030 0.19278 0.19405 0.19721 0.19967 0.20198 0.20729 0.20883 0.20927 0.21132 0.21357 0.21670 0.21809 0.22302 0.22508 0.22823 0.22939 0.23206 0.23622 0.23728 0.23920 0.24361 0.24443 0.24586 0.24746 0.25214 0.25444 0.25688 0.25782 0.26005 0.26190 0.26383 0.26878 0.27031 0.27561 0.27846 0.28198 0.28613 0.28895 0.29321 0.29691 0.29944 0.30139 0.30405 0.30775 0.31192 0.31246 0.31394 0.32009 0.32579 0.32998 0.33199 0.33390 0.33567 0.33815 0.34101 0.34689 0.34922 0.35112 0.35551 0.35818 0.36337 0.36634 0.36916 0.37084 0.37460 0.37624 0.38055 0.38260 0.39093 0.39573 0.40179 0.40798 0.41198 0.41499 0.41636 0.42842 0.43178 0.43569 0.44096 0.44149 0.44523 0.45182 0.45410 0.45865 0.46637 0.47721 0.48148 0.48980 0.49009 0.49262 0.49745 0.50198 0.50518 0.51149 0.51498 0.52050 0.52345 0.52451 0.52824 0.53534 0.53833 0.54298 0.54673 0.55071 0.55429 0.56088 0.56575 0.57943 0.58064 0.59105 0.59648 0.59933 0.60052 0.60751 0.60872 0.61997 0.62238 0.62650 0.62861 0.63209 0.63950 0.64237 0.64425 0.65215 0.65354 0.66240 0.66707 0.66986 0.67348 0.67731 0.68029 0.69004 0.69831 0.70206 0.70562 0.70851 0.70986 0.71380 0.71910 0.72458 0.72551 0.73195 0.73570 0.74029 0.74277 0.74860 0.75742 0.76132 0.76396 0.76661 0.77114 0.78219 0.78651 0.78711 0.79465 0.80813 0.81250 0.81895 0.82432 0.84090 0.84430 0.84900 0.85541 0.86087 0.87218 0.87685 0.87970 0.88290 0.89049 0.89815 0.90061 0.90509 0.90965 0.91383 0.91775 0.92706 0.92860 0.93345 0.93592 0.94280 0.94972 0.95069 0.95486 0.96004 0.97032 0.97409 0.97853 0.98657 0.99033 0.99685 1.00447 1.00785 1.00924 1.01197 1.01664 1.02247 1.03659 1.04045 1.04655 1.05657 1.06428 1.07148 1.08110 1.08425 1.09199 1.10183 1.10487 1.12574 1.12771 1.12958 1.13871 1.14454 1.15280 1.15636 1.17404 1.18072 1.18980 1.19779 1.19902 1.20487 1.21691 1.21978 1.22458 1.23181 1.25300 1.26293 1.27249 1.28556 1.29318 1.29950 1.31613 1.32070 1.33024 1.33376 1.34337 1.34740 1.36533 1.37167 1.38054 1.39276 1.39862 1.41177 1.42389 1.43059 1.43501 1.44348 1.46351 1.47405 1.47680 1.48308 1.48962 1.49362 1.50354 1.51202 1.51765 1.52919 1.53274 1.53614 1.55043 1.55189 1.56335 1.56950 1.57044 1.57897 1.58844 1.59317 1.59811 1.60231 1.60754 1.61262 1.61467 1.62272 1.62780 1.64166 1.64268 1.64825 1.65965 1.66684 1.67843 1.68680 1.68953 1.69788 1.70019 1.70703 1.71436 1.72211 1.72545 1.73967 1.75262 1.76360 1.76511 1.76958 1.77890 1.78814 1.79221 1.80276 1.80946 1.81433 1.82712 1.83464 1.84467 1.85180 1.87137 1.87297 1.88010 1.89304 1.90770 1.91095 1.92535 1.93095 1.94374 1.95831 1.96421 1.97426 1.98075 1.99094 2.00003 2.00793 2.00966 2.01935 2.02744 2.03715 2.04495 2.05312 2.06939 2.08237 2.09191 2.10227 2.11331 2.12443 2.13056 2.14567 2.15065 2.15586 2.17103 2.17723 2.19707 2.20859 2.21354 2.22899 2.24833 2.25016 2.26170 2.26532 2.26737 2.28649 2.29634 2.29969 2.30881 2.31648 2.32886 2.33208 2.33878 2.35673 2.36629 2.37331 2.37460 2.39927 2.42032 2.46147 2.46861 2.47066 2.48092 2.48924 2.50342 2.52283 2.52735 2.53891 2.54312 2.55831 2.56250 2.56664 2.57721 2.58438 2.60961 2.61917 2.62194 2.63862 2.64408 2.66455 2.67567 2.69371 2.71038 2.71493 2.72282 2.73260 2.74353 2.76418 2.77105 2.77519 2.78285 2.78883 2.79863 2.80092 2.80860 2.81930 2.82324 2.83804 2.84695 2.85327 2.86071 2.86851 2.88626 2.90132 2.90799 2.91476 2.91842 2.93725 2.94155 2.95432 2.96896 2.97358 2.97927 2.98247 3.00807 3.04841 3.05692 3.07050 3.08315 3.09428 3.11200 3.11779 3.14651 3.15258 3.16456 3.17050 3.17728 3.19408 3.20712 3.21643 3.23627 3.24513 3.24668 3.26244 3.29753 3.32509 3.36095 3.36798 3.37804 3.40558 3.42124 3.45701 3.48676 3.49244 3.53319 3.54316 3.62306 3.70126 3.70749 3.71723 3.73531 3.74182 3.74893 3.76668 3.76946 3.77448 3.78078 3.78726 3.80004 3.81728 3.84337 3.86921 3.87509 3.90683 3.92853 3.96073 3.96679 4.00088 4.02330 4.06099 4.06280 4.08521 4.09987 4.10792 4.12160 4.15952 4.18455 4.19827 4.19898 4.21755 4.25685 4.32974 4.44169 4.50278 4.71138 4.82597 4.91620 4.94132 5.09670 5.13150 5.18685 5.21441 5.37689 5.42264 5.43569 5.74053 5.82843 5.84592 6.35380 6.36783 6.39540 6.40148 6.42616 6.46046 6.51375 6.72598 6.77047 9.76010 9.78871 9.81801 9.86454 23.49444 23.53271 23.55767 23.72168 23.83689 23.86482 23.87459 23.88881 23.91410 23.92259 23.95711 23.96103 23.99735 24.06068 24.06268 24.13041 24.13224 24.19323 25.84779 25.90451 25.91642 25.97736 26.03127 26.07556 26.25716 26.29109 26.51525 26.55311 26.81900 26.91687 35.67751 49.95603 49.97564 49.99441 66.75738 66.77844 66.83397 215.75087 215.78276 215.81796 215.87380 1-A. Mulliken charges: 1 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 Cl Cl Cl Cl F F F O O O N C C C C C C C C C C C C C C C C C C H H H H H H H H H H H H H H -0.259144 0.275078 0.600100 0.324086 -0.060257 -0.022674 -0.030247 -0.042184 0.044918 0.045462 0.091110 -0.422764 -0.210705 -0.154848 -1.361139 0.398997 1.242177 0.019046 -0.551393 0.187118 -0.269789 -0.316655 -0.293655 -0.341374 -0.277684 0.760471 -0.852314 -0.157927 -0.751609 0.190557 0.159469 0.162798 0.175162 0.168325 0.212705 0.143298 0.152683 0.144449 0.155140 0.154192 0.197758 0.191668 0.179598 -0.00000 -2.3129 1.4177 0.8441 2.8411 -200.4343 -201.0060 -191.1723 -13.2293 0.0496 3.9880 -2.8968 -3.4684 6.3652 -13.2293 0.0496 3.9880 -86.7168 22.4687 -2.1665 15.7095 49.8873 -8.8742 25.0821 18.5522 7.2222 5.4651 -12855.7579 -3616.6146 -2162.1173 -112.4342 -109.7754 26.2538 7.0481 -16.8363 22.4680 -2903.6736 -2508.5687 -938.4365 10.9904 14.9598 11.9181 (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A) (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(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-DEPAZ23 ALCAMI 2024-09-03T00:00:00.000 0 Electronic spectrum Pyridalyl CONF66 gas 0 1 Version=EM64L-G16RevC.01 State=1-A HF=-3115.5636214 RMSD=5.714e-10 PG=C01 [X(C18H14Cl4F3N1O3)] 0 -2.0364483006 1.5693723265 -3.0008806601 0 -1.7486049343 4.1569023156 1.8002542656 0 5.8072776955 -2.140221171 0.3591322502 0 4.1918253346 -2.0230462855 -2.0919910478 0 1.6615497737 -2.58227056 1.825118067 0 0.4508099239 -4.3164706567 1.3185517478 0 1.4982771178 -3.2390876229 -0.2485024396 0 -3.0029360376 3.444293389 -0.7694704213 0 -3.6831856145 0.1517904369 0.302748619 0 1.7841065774 0.878061398 0.3571313157 0 -1.837969776 -0.4706277636 1.5480489597 0 -4.7811122305 2.2724942923 0.5481704969 0 -4.2516293223 2.7128742986 -0.8153026966 0 -3.9492146856 1.2092516144 1.254969029 0 -1.8426223923 2.7689475693 -0.5449258243 0 -1.2621574458 1.8802683361 -1.4560442117 0 -1.1042661859 3.026858601 0.626515805 0 -2.5919907547 -0.6134996998 0.4667748888 0 0.6197761718 1.4824514246 -0.0123089181 0 -0.0561057287 1.2274588386 -1.2029510286 0 0.1002615533 2.4042886723 0.8989312267 0 -2.3138496516 -1.5352538904 -0.5622609431 0 -0.3888307191 -2.1849883305 0.7087668912 0 -1.1988267997 -2.3315082434 -0.4291978339 0 -0.7509844478 -1.2425872173 1.6603712568 0 0.799810886 -3.07147629 0.906421461 0 2.3976796652 -0.0227117535 -0.5638976999 0 3.6045185969 -0.591972426 0.1168444576 0 4.4266870618 -1.4621409037 -0.4547771271 0 -4.8652107344 3.1359985965 1.2141343599 0 -5.7941851252 1.8898209988 0.3783763126 0 -4.9459540231 3.4215203969 -1.266855505 0 -4.1591621022 1.8523626239 -1.4769574811 0 -4.4887608928 0.7841772725 2.1055921424 0 -3.007564995 1.6027522792 1.6264381337 0 0.3240218295 0.5399956792 -1.9428610658 0 0.632846936 2.604893644 1.8180283128 0 -2.9639859267 -1.5856000188 -1.4249968635 0 -0.9399330838 -3.0526123992 -1.1953547056 0 -0.1452075566 -1.0936181438 2.546913038 0 2.6743996142 0.5071184818 -1.4848927692 0 1.702874143 -0.8263107078 -0.8352841203 0 3.786364168 -0.2846052086 1.1388143842 Gaussian 16 3-Sep-2024 Gaussian 16 3-Jul-2019 EM64L-G16RevC.01 123 C1[X(C18H14Cl4F3NO3)] RB3LYP 6-311+G(3df,2p) SP #P B3LYP 6-311+G(3df,2p) EmpiricalDispersion=gd3 geom=checkguess=read 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 477.0047095999997 AuxInfo=1/0/N:12;13;14;15;16;17;18;19;20;21;22;23;24;25;26;27;28;29;1;2;3;4;5;6;7;11;8;9;10;30;31;32;33;34;35;36;37;38;39;40;41;42;43/rA:43nCl0Cl0Cl0Cl0F0F0F0O0O0O0N0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:-2.0364,1.5694,-3.0009;-1.7486,4.1569,1.8003;5.8073,-2.1402,.3591;4.1918,-2.023,-2.092;1.6616,-2.5823,1.8251;.4508,-4.3165,1.3186;1.4983,-3.2391,-.2485;-3.0029,3.4443,-.7695;-3.6832,.1518,.3027;1.7841,.8781,.3571;-1.838,-.4706,1.548;-4.7811,2.2725,.5482;-4.2516,2.7129,-.8153;-3.9492,1.2093,1.255;-1.8426,2.7689,-.5449;-1.2622,1.8803,-1.456;-1.1043,3.0269,.6265;-2.592,-.6135,.4668;.6198,1.4825,-.0123;-.0561,1.2275,-1.203;.1003,2.4043,.8989;-2.3138,-1.5353,-.5623;-.3888,-2.185,.7088;-1.1988,-2.3315,-.4292;-.751,-1.2426,1.6604;.7998,-3.0715,.9064;2.3977,-.0227,-.5639;3.6045,-.592,.1168;4.4267,-1.4621,-.4548;-4.8652,3.136,1.2141;-5.7942,1.8898,.3784;-4.946,3.4215,-1.2669;-4.1592,1.8524,-1.477;-4.4888,.7842,2.1056;-3.0076,1.6028,1.6264;.324,.54,-1.9429;.6328,2.6049,1.818;-2.964,-1.5856,-1.425;-.9399,-3.0526,-1.1954;-.1452,-1.0936,2.5469;2.6744,.5071,-1.4849;1.7029,-.8263,-.8353;3.7864,-.2846,1.1388; oldchk=opt-b3lyp-pople.chk #P B3LYP 6-311+G(3df,2p) EmpiricalDispersion=gd3 geom=check guess=read 1/29=2,38=1,172=1/1 2/12=2,40=1/2 3/5=4,6=6,7=216,11=2,14=-4,25=1,30=1,74=-5,116=-2,124=31/1,2,3 4/5=1/1 5/5=2,38=6/2 6/7=2,8=2,9=2,10=2,28=1/1 99/5=1,9=1/99 Single Point Pyridalyl CONF66 gas Redundant internal coordinates found in file. (old form). 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 35 35 35 35 19 19 19 16 16 16 14 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 1 1 1 1 1 1 1 1 1 1 1 1 1 1 34.9688527 34.9688527 34.9688527 34.9688527 18.9984033 18.9984033 18.9984033 15.9949146 15.9949146 15.9949146 14.0030740 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 3 3 3 3 1 1 1 0 0 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 14.2400000 14.2400000 14.2400000 14.2400000 6.7500000 6.7500000 6.7500000 5.6000000 5.6000000 5.6000000 4.5500000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 (Enter /usr/local/gaussian/gaussian16/g16/l101.exe) 6-311+G(3df,2p) (5D, 7F) 0.10000e-02 0.10000e-05 F 1463 A 1289 A 1289 1904 1463 124 124 3730.5081202713 43 43 43 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 -0.0662653001 0.000000 5.461599 0.000000 9.304558 9.940923 0.000000 7.247272 9.414353 2.937928 0.000000 7.362173 7.552895 4.419455 4.696676 0.000000 7.712788 8.767412 5.860742 5.557589 2.174845 0.000000 6.571998 8.333086 4.488231 3.483161 2.181277 2.171083 0.000000 3.070606 2.946972 10.491921 9.132659 8.050391 8.747437 8.074646 0.000000 3.954143 4.693192 9.763472 8.513547 6.193456 6.171477 6.216871 3.528876 0.000000 5.133303 5.031248 5.029507 4.495746 3.760838 5.448410 4.171260 5.547121 5.515588 0.000000 4.989364 4.635259 7.915231 7.212373 4.096638 4.481260 4.692815 4.696238 2.311493 4.044340 0.000000 4.541291 3.783491 11.472654 10.292508 8.167449 8.448725 8.393030 2.504237 2.400637 6.714390 4.145668 0.000000 3.315324 3.897626 11.230024 9.764774 8.365170 8.722268 8.295091 1.447864 2.851722 6.416483 4.641753 1.527529 0.000000 4.679810 3.718691 10.354257 9.376909 6.795689 7.063842 7.191892 3.160571 1.447660 5.812639 2.713899 1.523845 2.576502 0.000000 2.740121 2.726743 9.134453 7.859464 6.821427 7.676948 6.880840 1.361191 3.309945 4.188355 3.856866 3.174279 2.424781 3.179623 0.000000 1.755763 4.002896 8.332834 6.736930 6.263253 7.002301 5.940199 2.438825 3.455773 3.683985 3.857829 4.068631 3.168710 3.875582 1.398866 0.000000 4.018860 1.752094 8.633635 7.806434 6.367787 7.538014 6.841123 2.393319 3.875780 3.610069 3.690522 3.754251 3.476107 3.434004 1.408532 2.382573 0.000000 4.134996 5.024560 8.537574 7.386086 4.879935 4.867870 4.912802 4.261791 1.342863 4.624609 1.325939 3.623236 3.932288 2.405354 3.609161 3.418270 3.935867 0.000000 3.999331 4.005908 6.338130 5.419698 4.580764 5.952078 4.808376 4.188814 4.515019 1.362879 3.505674 5.487067 5.088156 4.749348 2.828809 2.405058 2.401169 3.864968 0.000000 2.696519 4.523874 6.939787 5.422278 5.160773 6.111472 4.824636 3.712960 4.071843 2.437687 3.691414 5.146281 4.467566 4.604129 2.449658 1.394553 2.771900 3.550750 1.392647 0.000000 4.524505 2.702285 7.315325 6.729621 5.306714 6.742965 5.926107 3.673555 4.443383 2.336290 3.527498 4.895734 4.687513 4.237114 2.447958 2.770684 1.383001 4.067189 1.396438 2.413978 0.000000 3.957590 6.188830 8.195588 6.700882 4.753906 4.349249 4.187339 5.031269 2.338684 4.843823 2.411078 4.671123 4.676068 3.675467 4.329954 3.683843 4.867150 1.409222 4.244426 3.624979 4.845927 0.000000 5.529137 6.577226 6.206127 5.371488 2.368150 2.370665 2.364036 6.380246 4.059330 3.771946 2.396546 6.259958 6.421297 4.949296 5.312884 4.687795 5.261365 2.716993 3.871350 3.925579 4.619181 2.396532 0.000000 4.746792 6.882745 7.052911 5.649704 3.650558 3.117051 2.851442 6.060568 3.588113 4.451690 2.789424 5.914800 5.908847 4.789367 5.142229 4.335607 5.462194 2.386467 4.245869 3.817165 5.087173 1.376591 1.404466 0.000000 5.593461 5.492659 6.746093 6.254655 2.764456 3.318118 3.562161 5.739535 3.519266 3.552784 1.337937 5.462117 5.833451 4.050252 4.706105 4.441348 4.407021 2.282483 3.478891 3.844814 3.821533 2.732818 1.387381 2.398460 0.000000 6.696929 7.716399 5.122644 4.647090 1.351266 1.357079 1.360073 7.728179 5.554379 4.107238 3.759519 7.735184 7.870203 6.403074 6.572626 5.861120 6.394806 4.211800 4.649165 4.864452 5.520274 3.769866 1.495927 2.515151 2.513611 0.000000 5.304254 6.344294 4.118396 3.091176 3.577796 5.076444 3.354620 6.420984 6.144790 1.426940 4.754122 7.618380 7.194439 6.716329 5.076799 4.220387 4.793807 5.129145 2.393890 2.827079 3.648058 4.948363 3.749634 4.275926 4.043458 3.742992 0.000000 6.797950 7.351300 2.703317 2.696638 3.264141 5.026118 3.402492 7.793295 7.327918 2.352156 5.628832 8.871867 8.573796 7.848479 6.434677 5.680712 5.960567 6.206419 3.637115 4.295621 4.676436 6.031422 4.339921 5.137730 4.666496 3.825932 1.497975 0.000000 7.579237 8.648297 1.740193 1.746495 3.754810 5.205717 3.431570 8.909064 8.303533 3.622012 6.651341 9.986840 9.637111 8.956299 7.564025 6.673619 7.204981 7.129606 4.833112 5.281017 5.958168 6.741790 5.006551 5.692351 5.597351 4.194884 2.490127 1.326614 0.000000 5.312492 3.331518 11.936144 10.935086 8.698880 9.154795 9.125514 2.738211 3.336661 7.074331 4.720534 1.093718 2.161974 2.133792 3.516399 4.657113 3.808137 4.448012 5.858623 5.710719 5.028983 5.611205 6.971820 6.785023 6.024782 8.409513 8.117169 9.318698 10.500834 0.000000 5.063857 4.850579 12.281513 11.006073 8.813663 8.854488 8.937488 3.394850 2.735469 7.645562 4.753051 1.096169 2.117018 2.153022 4.152132 4.889219 4.832160 4.065523 6.438749 5.988729 5.939710 4.972793 6.777248 6.291988 6.073662 8.268862 8.464769 9.724368 10.788699 1.764779 0.000000 3.860378 4.491213 12.215105 10.668794 9.448011 9.781917 9.323565 2.005799 3.840492 7.375651 5.721195 2.154473 1.090030 3.499603 3.252338 3.997700 4.301067 4.982771 6.025880 5.359907 5.584773 5.656327 7.490220 6.916645 6.922451 8.938454 8.141612 9.546378 10.599812 2.498670 2.402579 0.000000 2.628372 4.675661 10.892285 9.226920 8.028098 8.192754 7.709642 2.090847 2.507160 6.295680 4.464850 2.159740 1.089412 2.814443 2.659919 2.897215 3.890556 3.509216 5.012014 4.159406 4.908376 3.964567 5.940791 5.231268 5.571106 7.383502 6.880535 8.293957 9.260000 3.064017 2.473250 1.767892 0.000000 5.718954 4.356255 10.844844 10.042549 7.016976 7.143907 7.587690 4.189257 2.073429 6.512664 2.985311 2.173964 3.508237 1.093324 4.238704 4.929264 4.321121 2.870010 5.574069 5.548999 5.013972 4.150595 5.251332 5.191948 4.275157 6.653801 7.429691 8.446898 9.543933 2.543123 2.431019 4.305579 3.752908 0.000000 4.728241 2.852871 9.660091 8.877182 6.273318 6.862387 6.874695 3.021866 2.076995 5.009634 2.381807 2.180983 2.956715 1.086065 2.726156 3.553190 2.578850 2.535605 3.982156 4.105776 3.290944 3.888281 4.695409 4.793285 3.631703 6.071486 6.054451 7.128488 8.306210 2.443703 3.066809 3.928921 3.319570 1.758862 0.000000 2.784033 5.602563 6.522946 4.642341 5.072987 5.851338 4.304788 4.569512 4.609900 2.745196 4.228714 5.938786 5.189352 5.379086 3.408342 2.132906 3.850479 3.954747 2.168577 1.079152 3.406089 3.629199 3.868440 3.585496 4.161313 4.624664 2.553084 4.035517 4.801542 6.605603 6.681514 6.044238 4.694498 6.293844 4.996881 0.000000 5.605294 2.842597 7.170720 7.026550 5.288190 6.941750 6.258725 4.540777 5.190561 2.538025 3.954321 5.570815 5.550153 4.822877 3.426137 3.851711 2.148329 4.752212 2.147133 3.390914 1.081031 5.611561 5.021679 5.724781 4.091815 5.751528 3.961378 4.684529 6.008297 5.556564 6.625003 6.427006 5.864008 5.443213 3.780687 4.301565 0.000000 3.646586 6.697442 8.968043 7.200130 5.740399 5.161932 4.902035 5.072579 2.553601 5.638261 3.368988 4.698960 4.528425 3.995509 4.581928 3.861273 5.379780 2.159204 4.924630 4.051959 5.541612 1.081446 3.397593 2.159579 3.812418 4.670065 5.650803 6.819811 7.455107 5.733512 4.831225 5.387435 3.640156 4.517283 4.413473 3.949346 6.404269 0.000000 5.081832 7.848868 6.983820 5.310264 4.013999 3.138667 2.622245 6.829871 4.476376 5.028002 3.872903 6.793475 6.659775 5.763970 5.926927 4.950263 6.348715 3.382490 4.939544 4.370380 5.936818 2.142623 2.163831 1.083519 3.386305 2.728466 4.551779 5.331853 5.646120 7.714425 7.104086 7.613653 5.873799 6.181536 5.823233 3.881131 6.600113 2.510309 0.000000 6.437882 5.540428 6.427585 6.418187 2.449785 3.500127 3.888242 6.305367 4.370882 3.522062 2.061866 6.067726 6.531200 4.630637 5.230688 5.110308 4.646079 3.247189 3.710923 4.410988 3.874461 3.816414 2.151563 3.391124 1.084027 2.737918 4.158156 4.496368 5.481621 6.476449 6.746437 7.614360 6.401732 4.752614 4.038660 4.800723 3.849108 4.895266 4.298118 0.000000 5.061491 6.608788 4.497084 3.012123 4.639651 6.005886 4.116550 6.432027 6.613684 2.079248 5.524147 7.926825 7.299561 7.202229 5.138375 4.169275 5.008538 5.727099 2.709475 2.837964 3.988491 5.468562 4.630655 4.916724 4.968643 4.694551 1.097964 2.153760 2.830129 8.428611 8.780693 8.161560 6.964719 8.017432 6.570047 2.394805 4.413376 6.014520 5.081232 5.173780 0.000000 4.940813 6.609931 4.472038 3.034199 3.187921 4.288110 2.491519 6.355080 5.591193 2.081667 4.283032 7.318375 6.926929 6.360722 5.057740 4.062305 4.986362 4.492940 2.679696 2.728948 4.001580 4.087935 2.933484 3.293994 3.524628 2.981582 1.096438 2.139560 2.822804 7.939758 8.065745 7.901724 6.476921 7.041219 5.843686 2.234895 4.467459 4.764857 3.474263 3.863433 1.773101 0.000000 7.381020 7.127438 2.852246 3.691162 3.203922 5.235854 3.986095 7.977520 7.528853 2.443738 5.642270 8.960428 8.798454 7.879358 6.621530 6.075158 5.928449 6.422088 3.804583 4.747081 4.568922 6.455260 4.607456 5.612540 4.666614 4.091474 2.212750 1.082573 2.082339 9.303545 9.853594 9.786521 8.633671 8.399682 7.068053 4.707919 4.330728 7.337094 5.953830 4.253763 2.957555 2.920863 0.000000 C18H14Cl4F3NO3 C1 1 C1 1 C1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 477.0047095999997 AuxInfo=1/0/N:12;13;14;15;16;17;18;19;20;21;22;23;24;25;26;27;28;29;1;2;3;4;5;6;7;11;8;9;10;30;31;32;33;34;35;36;37;38;39;40;41;42;43/rA:43nCl0Cl0Cl0Cl0F0F0F0O0O0O0N0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:-2.4409,-.8589,2.9043;-3.764,-1.9161,-2.288;6.0564,-1.3417,-.8558;4.7074,-1.1539,1.7474;2.8627,1.6325,-1.5529;2.8576,3.5593,-.5443;3.141,1.741,.6078;-4.3431,-1.2891,.5326;-3.0594,1.9837,.2261;1.0322,-1.5674,-.8087;-1.2111,1.7807,-1.1471;-5.1701,.9424,-.2469;-4.9566,-.0329,.9092;-3.8963,1.5139,-.8576;-3.0091,-1.3257,.2647;-2.0095,-1.1527,1.2279;-2.5699,-1.6487,-1.034;-1.7301,2.0421,.0447;-.2621,-1.5072,-.3862;-.6511,-1.2253,.921;-1.2303,-1.74,-1.3653;-.9585,2.3777,1.1752;.9704,2.1594,-.2301;.4085,2.4404,1.026;.1195,1.8341,-1.2765;2.448,2.2701,-.436;2.0661,-1.4052,.1613;3.3694,-1.4406,-.5763;4.5509,-1.3313,.017;-5.7417,.4589,-1.0442;-5.7846,1.7603,.1471;-5.9211,-.3327,1.319;-4.3799,.4448,1.7005;-4.1167,2.357,-1.5179;-3.3508,.7757,-1.4381;.0661,-1.0624,1.7107;-.9233,-1.9665,-2.3767;-1.4486,2.5617,2.1215;1.0454,2.6899,1.8664;.5167,1.6011,-2.2578;2.012,-2.2061,.9104;1.9543,-.4483,.6849;3.325,-1.5363,-1.6537; 0.2186250 0.0786318 0.0724304 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= 1289 RedAO= T EigKep= 1.21D-06 NBF= 1289 NBsUse= 1283 1.00D-06 EigRej= 8.51D-07 NBFU= 1283 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= 1419 1419 1419 1419 1419 MxSgAt= 43 MxSgA2= 43. 1 Closed 1 1 1 -3115.56733644972 -3115.62017335544 -0.052836905721 -3115.67218818809 -0.052014832650 -3115.67389145550 -0.001703267415 -3115.67404770686 -0.000156251355 -3115.67406084558 -0.000013138723 -3115.67406391297 -0.000003067391 -3115.67406403758 -0.000000124613 -3115.67406407503 -0.000000037448 -3115.67406407628 -0.000000001243 -3115.67406407657 -0.000000000290 -3115.67406407600 0.000000000565 -3115.67406408 12 3.106107007919e+03 -1.482304456707e+04 4.870821640100e+03 Using DIIS extrapolation, IDIIS= 1040. NGot= 1415577600 LenX= 1411272244 LenY= 1409130412 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. PT57806.500S Tue Sep 3 13:46:17 2024 -101.57841 -101.57517 -101.56853 -101.56342 -24.72516 -24.72279 -24.71876 -19.18041 -19.17873 -19.15976 -14.33231 -10.43930 -10.29687 -10.29143 -10.26156 -10.25869 -10.25743 -10.25688 -10.25418 -10.23933 -10.23656 -10.23493 -10.22153 -10.21564 -10.20862 -10.20477 -10.20172 -10.19776 -10.18878 -9.49285 -9.48947 -9.48346 -9.47828 -7.25690 -7.25374 -7.24799 -7.24766 -7.24738 -7.24445 -7.24423 -7.24227 -7.23869 -7.23819 -7.23357 -7.23291 -1.32389 -1.24000 -1.23431 -1.10085 -1.09527 -1.07420 -0.96801 -0.92834 -0.91336 -0.88635 -0.84919 -0.84894 -0.84203 -0.82223 -0.80628 -0.79375 -0.76104 -0.75476 -0.72851 -0.71254 -0.69700 -0.67139 -0.65640 -0.63262 -0.62307 -0.61055 -0.60494 -0.60062 -0.59062 -0.57899 -0.56684 -0.55579 -0.54036 -0.53462 -0.52574 -0.51570 -0.50790 -0.49354 -0.48745 -0.48446 -0.47839 -0.47810 -0.47565 -0.47301 -0.46583 -0.45705 -0.45242 -0.44842 -0.44515 -0.44366 -0.44281 -0.43181 -0.42626 -0.42478 -0.41766 -0.41259 -0.40760 -0.40505 -0.39865 -0.39323 -0.38085 -0.37900 -0.37130 -0.36475 -0.35939 -0.35193 -0.34919 -0.34232 -0.33252 -0.32700 -0.32521 -0.31901 -0.31367 -0.30311 -0.29450 -0.26845 -0.26609 -0.26275 -0.24001 -0.05843 -0.04816 -0.04440 -0.03320 -0.02505 -0.02363 -0.01918 -0.00764 0.00129 0.00427 0.00915 0.01028 0.01429 0.01676 0.02232 0.02787 0.03017 0.03384 0.03628 0.04187 0.04582 0.05049 0.05138 0.05368 0.06392 0.06448 0.06702 0.07205 0.07362 0.07500 0.07708 0.08308 0.08456 0.08746 0.09238 0.09260 0.09837 0.09901 0.10034 0.10226 0.10444 0.10549 0.10965 0.11289 0.11659 0.11718 0.11860 0.12117 0.12432 0.12484 0.12754 0.12956 0.13186 0.13546 0.13664 0.13862 0.14286 0.14445 0.14688 0.15032 0.15170 0.15534 0.15643 0.16017 0.16271 0.16529 0.16644 0.16852 0.17018 0.17302 0.17345 0.17793 0.17840 0.18203 0.18346 0.18736 0.18965 0.19327 0.19432 0.19584 0.19813 0.20253 0.20329 0.20430 0.20741 0.20930 0.21325 0.21625 0.21742 0.21989 0.22326 0.22456 0.22621 0.22790 0.23004 0.23479 0.23552 0.23667 0.23921 0.24351 0.24499 0.24714 0.24842 0.24999 0.25170 0.25370 0.25450 0.25718 0.26139 0.26495 0.26634 0.27166 0.27405 0.27659 0.27832 0.28014 0.28269 0.28674 0.28791 0.28981 0.29483 0.29662 0.29931 0.30377 0.30615 0.30810 0.30982 0.31347 0.31561 0.31814 0.32076 0.32181 0.32307 0.32827 0.33072 0.33181 0.33649 0.33947 0.34235 0.34447 0.34777 0.35014 0.35241 0.35515 0.35583 0.35977 0.36082 0.36257 0.36413 0.36734 0.37156 0.37438 0.37694 0.37961 0.38137 0.38643 0.38955 0.39296 0.39645 0.39754 0.39957 0.40408 0.40862 0.40901 0.41506 0.41546 0.41797 0.42074 0.42446 0.42923 0.43038 0.43268 0.43748 0.43857 0.44477 0.44637 0.44900 0.45393 0.45486 0.45938 0.46297 0.46403 0.46846 0.47186 0.47558 0.47803 0.48288 0.48398 0.48629 0.49369 0.49646 0.49895 0.50327 0.50558 0.51001 0.51261 0.51512 0.51989 0.52470 0.52664 0.52716 0.53320 0.53352 0.54112 0.54408 0.54633 0.54941 0.55418 0.55767 0.56079 0.56402 0.56572 0.57037 0.57322 0.57560 0.57890 0.58077 0.58245 0.58539 0.58907 0.59014 0.59286 0.59620 0.59857 0.60057 0.60607 0.61015 0.61502 0.61791 0.61993 0.62272 0.62746 0.63081 0.63550 0.63745 0.64166 0.64704 0.64787 0.65317 0.65450 0.65633 0.66027 0.66379 0.66658 0.67189 0.67479 0.67947 0.68159 0.68494 0.68721 0.69108 0.69408 0.70237 0.70263 0.70692 0.71125 0.71823 0.71933 0.72385 0.73005 0.73184 0.74204 0.74323 0.74485 0.75112 0.75265 0.75687 0.75874 0.76826 0.77235 0.77631 0.77835 0.78293 0.78851 0.79277 0.79452 0.80232 0.80603 0.80759 0.81298 0.82121 0.82149 0.82490 0.83335 0.83411 0.83960 0.84513 0.84829 0.85149 0.85469 0.85579 0.86646 0.87283 0.87935 0.88391 0.88587 0.89371 0.89673 0.90145 0.91043 0.91260 0.91721 0.92123 0.92670 0.93738 0.94018 0.94361 0.94936 0.95630 0.96336 0.96549 0.97041 0.97977 0.98443 0.98690 0.98724 0.99197 0.99933 1.00428 1.01566 1.02037 1.02449 1.02868 1.03361 1.03696 1.04152 1.04840 1.04892 1.05229 1.06589 1.06723 1.07596 1.08052 1.08600 1.09257 1.09698 1.10309 1.10433 1.11268 1.11351 1.11723 1.12208 1.12766 1.13144 1.13604 1.14026 1.14420 1.14741 1.15253 1.15565 1.15751 1.16527 1.16966 1.17182 1.17260 1.17312 1.18009 1.18095 1.18747 1.19506 1.19697 1.19740 1.20005 1.20309 1.20835 1.21207 1.21298 1.22011 1.22208 1.22880 1.23086 1.23626 1.23646 1.24150 1.24252 1.24555 1.24869 1.25461 1.26529 1.27062 1.27165 1.27326 1.27777 1.28148 1.28636 1.28809 1.29072 1.29435 1.30066 1.30276 1.30688 1.30919 1.31659 1.31922 1.32211 1.32562 1.33012 1.33230 1.33353 1.33457 1.34026 1.34530 1.35134 1.35360 1.35805 1.36116 1.36399 1.36917 1.37398 1.37719 1.37984 1.38184 1.38506 1.39349 1.39423 1.39813 1.40061 1.40316 1.40728 1.41074 1.41613 1.42201 1.42450 1.43177 1.43509 1.43974 1.44585 1.44975 1.45165 1.45684 1.45926 1.46199 1.46303 1.47357 1.47826 1.48119 1.48649 1.49109 1.49521 1.49822 1.50212 1.50694 1.51319 1.51887 1.52089 1.52691 1.52861 1.53640 1.54132 1.54393 1.54559 1.55269 1.55925 1.56215 1.56418 1.56701 1.57579 1.58663 1.59201 1.59681 1.59840 1.60396 1.60676 1.61620 1.62033 1.62647 1.62715 1.63600 1.64139 1.64519 1.64737 1.65844 1.66140 1.67125 1.67353 1.68407 1.68804 1.69547 1.69622 1.70101 1.70259 1.71022 1.71846 1.72552 1.73512 1.73687 1.74523 1.75170 1.75651 1.76417 1.77342 1.77944 1.78533 1.78715 1.79779 1.81091 1.81570 1.81842 1.82969 1.83957 1.84881 1.85539 1.86013 1.86418 1.87311 1.87979 1.88642 1.89637 1.90047 1.90502 1.91601 1.91891 1.92668 1.93235 1.93841 1.94585 1.95162 1.95958 1.96473 1.97386 1.98299 1.99241 2.00059 2.00387 2.01052 2.01494 2.02561 2.03658 2.04458 2.05358 2.05649 2.06111 2.06205 2.06681 2.07341 2.07648 2.08065 2.08799 2.09558 2.09660 2.10061 2.10979 2.11130 2.11860 2.12675 2.13797 2.14191 2.14818 2.15320 2.15898 2.16055 2.16279 2.16799 2.17966 2.18060 2.18612 2.19234 2.19862 2.20044 2.21071 2.21189 2.21580 2.23075 2.23662 2.24252 2.24645 2.25455 2.26204 2.26662 2.26802 2.27887 2.28267 2.28792 2.30313 2.31092 2.31392 2.32085 2.32679 2.33591 2.34364 2.34844 2.35207 2.36065 2.36922 2.38212 2.38533 2.38811 2.38940 2.40702 2.41166 2.42089 2.42606 2.42770 2.44097 2.45387 2.45575 2.47054 2.47786 2.47925 2.48770 2.51211 2.51683 2.53767 2.53998 2.54527 2.54963 2.56224 2.57250 2.58300 2.59604 2.61442 2.61533 2.62973 2.63384 2.64723 2.67610 2.67796 2.69115 2.69437 2.70227 2.72410 2.73330 2.74246 2.74506 2.75324 2.76309 2.77086 2.78205 2.78608 2.80180 2.81007 2.81446 2.82278 2.82825 2.83585 2.84518 2.85806 2.86422 2.87250 2.88260 2.88615 2.89063 2.90076 2.90508 2.91009 2.91665 2.92563 2.92981 2.93971 2.94314 2.94492 2.95048 2.95369 2.96042 2.96719 2.97620 2.98895 2.99343 3.00176 3.01114 3.01414 3.01555 3.02828 3.03775 3.04285 3.04715 3.05079 3.06242 3.07156 3.07804 3.08299 3.09397 3.10374 3.11154 3.11163 3.12022 3.13469 3.14062 3.14785 3.15050 3.16182 3.16716 3.17565 3.18002 3.19005 3.19449 3.20325 3.20955 3.21554 3.22358 3.22482 3.23211 3.24373 3.25142 3.25783 3.26009 3.26544 3.27491 3.27872 3.28998 3.29412 3.30461 3.30993 3.31378 3.32863 3.32927 3.33432 3.33852 3.34053 3.34664 3.35981 3.36489 3.37289 3.37781 3.38438 3.39384 3.39722 3.39806 3.40695 3.41618 3.41914 3.42310 3.42660 3.44127 3.44828 3.46327 3.46829 3.47652 3.47917 3.49500 3.49937 3.50103 3.51329 3.52515 3.53011 3.53990 3.54110 3.55667 3.56094 3.56830 3.57909 3.58194 3.58399 3.59259 3.60146 3.61250 3.62006 3.63144 3.63767 3.64608 3.65518 3.67045 3.67971 3.69114 3.70207 3.70372 3.70995 3.72083 3.73371 3.73817 3.74249 3.75620 3.77106 3.77395 3.79306 3.80270 3.81392 3.82026 3.83219 3.83354 3.86054 3.86630 3.87194 3.87842 3.89419 3.89726 3.92181 3.93053 3.94338 3.95914 3.96388 3.97213 3.99367 4.01746 4.02251 4.03772 4.06787 4.07661 4.08540 4.09280 4.10324 4.13569 4.14941 4.16198 4.16811 4.17735 4.18700 4.18936 4.19505 4.20646 4.21091 4.21649 4.22714 4.24495 4.25051 4.27125 4.28223 4.29210 4.29576 4.30865 4.32030 4.33107 4.33621 4.34357 4.35262 4.35822 4.36936 4.39071 4.39574 4.40260 4.41023 4.41666 4.41953 4.42445 4.43635 4.44623 4.45456 4.46653 4.47557 4.48495 4.49586 4.50573 4.51365 4.51658 4.53058 4.54025 4.54837 4.55732 4.57060 4.58565 4.59569 4.60832 4.62114 4.64076 4.64852 4.65545 4.67002 4.67814 4.68747 4.69689 4.69968 4.70321 4.71778 4.71854 4.72172 4.72746 4.73700 4.74604 4.75965 4.76389 4.77035 4.78061 4.78353 4.78645 4.80370 4.81529 4.84648 4.85443 4.88147 4.89199 4.90734 4.93111 4.94375 4.96933 4.98807 4.99722 5.01591 5.03779 5.06678 5.08974 5.14086 5.14301 5.16892 5.17434 5.18028 5.19810 5.20079 5.20562 5.21281 5.21492 5.21754 5.23754 5.24235 5.24789 5.25741 5.26278 5.27070 5.27637 5.28351 5.29639 5.30485 5.31840 5.32018 5.33903 5.35655 5.36202 5.38836 5.42339 5.43701 5.45103 5.47007 5.48006 5.51370 5.51635 5.54162 5.56596 5.58030 5.58744 5.61930 5.63972 5.67595 5.67766 5.68858 5.69965 5.70803 5.73855 5.75104 5.76407 5.79067 5.81194 5.81862 5.82303 5.85024 5.87927 5.89309 5.90895 5.91621 5.94638 5.94735 5.96118 5.96937 5.98125 6.01112 6.01984 6.03949 6.06359 6.13035 6.14336 6.33376 6.39892 6.42478 6.42553 6.47364 6.50208 6.52223 6.53904 6.54515 6.54717 6.55691 6.56421 6.59580 6.59850 6.60022 6.61651 6.62598 6.62908 6.67111 6.67369 6.71370 6.72595 6.75768 6.76765 6.77961 6.81293 6.84059 6.85073 6.87173 6.88875 6.89082 6.90152 7.00507 7.01907 7.06057 7.09233 7.11252 7.13142 7.14856 7.15536 7.16177 7.18558 7.19020 7.19648 7.20087 7.21301 7.22194 7.24051 7.24555 7.27656 7.30340 7.31648 7.31734 7.33350 7.33825 7.35551 7.36172 7.37578 7.39033 7.40513 7.40964 7.42127 7.42821 7.43394 7.44566 7.45512 7.46537 7.47073 7.49739 7.50682 7.51333 7.52130 7.52914 7.54200 7.55897 7.56208 7.57026 7.59629 7.60398 7.62120 7.62259 7.63228 7.66741 7.69248 7.69488 7.70066 7.76332 7.77512 7.77811 7.81353 7.81919 7.84208 7.86962 7.90293 7.92505 7.94283 7.95836 7.96375 7.97571 7.99664 8.02293 8.06598 8.07816 8.09627 8.09976 8.11234 8.11770 8.14839 8.15713 8.17282 8.19964 8.24989 8.25991 8.29645 8.31715 8.33765 8.34673 8.39198 8.41716 8.43615 8.44978 8.48717 8.49689 8.57648 8.65017 8.67152 8.78221 9.01190 9.11152 9.13868 9.33102 10.00535 10.04270 10.10226 10.16041 10.43585 10.56691 10.72049 11.19252 11.50474 14.44566 14.45273 14.49256 14.50480 14.51369 14.52949 14.56447 14.59375 14.67075 14.99277 15.03220 15.05475 15.08956 15.13724 15.15388 19.29220 19.30248 19.32448 19.35774 19.36314 19.37317 19.38279 19.38652 19.40619 19.44922 19.46505 19.46799 19.62747 19.85643 19.86584 23.93421 24.13136 24.25563 24.31594 24.41815 24.46581 24.48015 24.52171 24.87821 24.93550 24.96758 25.20605 25.30980 25.39313 25.42308 25.68375 25.72837 25.75661 25.95545 26.09375 26.31059 26.38181 26.55210 26.65790 27.04111 27.39061 27.71246 28.27381 28.43473 28.54365 36.35587 50.28215 50.29960 50.31430 66.98154 67.04489 67.06380 216.02119 216.05401 216.13055 216.19079 1-A. Mulliken charges: 1 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 Cl Cl Cl Cl F F F O O O N C C C C C C C C C C C C C C C C C C H H H H H H H H H H H H H H -1.174948 -0.802765 -0.333124 -0.331203 -0.445444 -0.409197 -0.393712 -0.775570 -0.588053 -0.584269 -0.949442 -0.116495 -0.240464 -0.048367 -0.105861 1.147949 1.200964 1.067666 0.843353 -0.314752 -0.185337 -0.387446 -0.280700 0.069860 -0.036129 1.651975 -0.136300 0.340090 -0.120743 0.157870 0.147583 0.140587 0.202968 0.139901 0.259797 0.147776 0.157151 0.146059 0.149385 0.172207 0.199307 0.263124 0.154747 -0.00000 -2.2146 1.3141 0.8345 2.7070 -198.8333 -199.5300 -190.6750 -12.5532 -0.0833 3.8584 -2.4872 -3.1839 5.6711 -12.5532 -0.0833 3.8584 -81.1020 22.4300 -2.3142 15.4824 47.6055 -6.8983 26.6047 18.0874 7.2081 5.5645 -12798.2704 -3590.3846 -2161.4343 -98.6949 -103.9931 33.5018 5.9102 -17.7234 19.1331 -2880.0647 -2502.1452 -935.1312 8.1809 12.6293 13.0366 (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A) (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(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-DEPAZ23 ALCAMI 2024-09-03T00:00:00.000 0 Single Point Pyridalyl CONF66 gas 0 1 Version=EM64L-G16RevC.01 State=1-A HF=-3115.6740641 RMSD=6.098e-09 Dipole=-1.0504454,0.0165074,-0.1747132 Quadrupole=7.0273397,-9.5748877,2.547548,3.8895741,0.4539798,4.4302985 PG=C01 [X(C18H14Cl4F3N1O3)] 0 -2.0364483006 1.5693723265 -3.0008806601 0 -1.7486049343 4.1569023156 1.8002542656 0 5.8072776955 -2.140221171 0.3591322502 0 4.1918253346 -2.0230462855 -2.0919910478 0 1.6615497737 -2.58227056 1.825118067 0 0.4508099239 -4.3164706567 1.3185517478 0 1.4982771178 -3.2390876229 -0.2485024396 0 -3.0029360376 3.444293389 -0.7694704213 0 -3.6831856145 0.1517904369 0.302748619 0 1.7841065774 0.878061398 0.3571313157 0 -1.837969776 -0.4706277636 1.5480489597 0 -4.7811122305 2.2724942923 0.5481704969 0 -4.2516293223 2.7128742986 -0.8153026966 0 -3.9492146856 1.2092516144 1.254969029 0 -1.8426223923 2.7689475693 -0.5449258243 0 -1.2621574458 1.8802683361 -1.4560442117 0 -1.1042661859 3.026858601 0.626515805 0 -2.5919907547 -0.6134996998 0.4667748888 0 0.6197761718 1.4824514246 -0.0123089181 0 -0.0561057287 1.2274588386 -1.2029510286 0 0.1002615533 2.4042886723 0.8989312267 0 -2.3138496516 -1.5352538904 -0.5622609431 0 -0.3888307191 -2.1849883305 0.7087668912 0 -1.1988267997 -2.3315082434 -0.4291978339 0 -0.7509844478 -1.2425872173 1.6603712568 0 0.799810886 -3.07147629 0.906421461 0 2.3976796652 -0.0227117535 -0.5638976999 0 3.6045185969 -0.591972426 0.1168444576 0 4.4266870618 -1.4621409037 -0.4547771271 0 -4.8652107344 3.1359985965 1.2141343599 0 -5.7941851252 1.8898209988 0.3783763126 0 -4.9459540231 3.4215203969 -1.266855505 0 -4.1591621022 1.8523626239 -1.4769574811 0 -4.4887608928 0.7841772725 2.1055921424 0 -3.007564995 1.6027522792 1.6264381337 0 0.3240218295 0.5399956792 -1.9428610658 0 0.632846936 2.604893644 1.8180283128 0 -2.9639859267 -1.5856000188 -1.4249968635 0 -0.9399330838 -3.0526123992 -1.1953547056 0 -0.1452075566 -1.0936181438 2.546913038 0 2.6743996142 0.5071184818 -1.4848927692 0 1.702874143 -0.8263107078 -0.8352841203 0 3.786364168 -0.2846052086 1.1388143842